Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:59:30 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: ./Ca2H3Br.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized 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 28 20 6 1326 810 129 Max 29 21 8 1333 841 136 Sum 1039 745 223 47871 29771 4791 bravais-lattice index = 14 lattice parameter (alat) = 7.3958 a.u. unit-cell volume = 623.9645 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.395821 celldm(2)= 1.000000 celldm(3)= 1.781026 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 1.781026 ) 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 0.561474 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 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 PseudoPot. # 3 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 atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 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= 334 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0029940 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0029940 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0029940 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0029940 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0029940 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0029940 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0029940 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0029940 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0029940 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0029940 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0029940 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0029940 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0029940 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0029940 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0029940 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0029940 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0029940 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0029940 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0029940 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0029940 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0029940 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0029940 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0029940 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0029940 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0029940 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0029940 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0029940 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0029940 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0029940 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0029940 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0029940 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0029940 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0029940 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0029940 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0029940 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0029940 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0029940 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0029940 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0029940 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0029940 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0029940 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0029940 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0029940 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0029940 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0029940 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0029940 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029940 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029940 k( 50) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0029940 k( 51) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0029940 k( 52) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0029940 k( 53) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0029940 k( 54) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0029940 k( 55) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0029940 k( 56) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0029940 k( 57) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0029940 k( 58) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0029940 k( 59) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0029940 k( 60) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0029940 k( 61) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0029940 k( 62) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0029940 k( 63) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0029940 k( 64) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0029940 k( 65) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0029940 k( 66) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0029940 k( 67) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0029940 k( 68) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0029940 k( 69) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0029940 k( 70) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0029940 k( 71) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0029940 k( 72) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0029940 k( 73) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0029940 k( 74) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0029940 k( 75) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0029940 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029940 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029940 k( 78) = ( 0.3271605 0.5666586 -0.0000000), wk = 0.0029940 k( 79) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0029940 k( 80) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0029940 k( 81) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0029940 k( 82) = ( 0.3024691 0.5238919 -0.0000000), wk = 0.0029940 k( 83) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0029940 k( 84) = ( 0.2901235 0.5025086 -0.0000000), wk = 0.0029940 k( 85) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0029940 k( 86) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0029940 k( 87) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0029940 k( 88) = ( 0.2654321 0.4597419 -0.0000000), wk = 0.0029940 k( 89) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0029940 k( 90) = ( 0.2530864 0.4383585 -0.0000000), wk = 0.0029940 k( 91) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0029940 k( 92) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0029940 k( 93) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0029940 k( 94) = ( 0.2283951 0.3955918 -0.0000000), wk = 0.0029940 k( 95) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029940 k( 96) = ( 0.2160494 0.3742085 -0.0000000), wk = 0.0029940 k( 97) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0029940 k( 98) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0029940 k( 99) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0029940 k( 100) = ( 0.1913580 0.3314418 -0.0000000), wk = 0.0029940 k( 101) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0029940 k( 102) = ( 0.1790123 0.3100585 -0.0000000), wk = 0.0029940 k( 103) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0029940 k( 104) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0029940 k( 105) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0029940 k( 106) = ( 0.1543210 0.2672918 -0.0000000), wk = 0.0029940 k( 107) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0029940 k( 108) = ( 0.1419753 0.2459085 -0.0000000), wk = 0.0029940 k( 109) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0029940 k( 110) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0029940 k( 111) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0029940 k( 112) = ( 0.1172839 0.2031418 -0.0000000), wk = 0.0029940 k( 113) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029940 k( 114) = ( 0.1049383 0.1817584 -0.0000000), wk = 0.0029940 k( 115) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0029940 k( 116) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0029940 k( 117) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0029940 k( 118) = ( 0.0802469 0.1389917 -0.0000000), wk = 0.0029940 k( 119) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0029940 k( 120) = ( 0.0679012 0.1176084 -0.0000000), wk = 0.0029940 k( 121) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0029940 k( 122) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0029940 k( 123) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0029940 k( 124) = ( 0.0432099 0.0748417 -0.0000000), wk = 0.0029940 k( 125) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0029940 k( 126) = ( 0.0308642 0.0534584 -0.0000000), wk = 0.0029940 k( 127) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0029940 k( 128) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0029940 k( 129) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0029940 k( 130) = ( 0.0061728 0.0106917 -0.0000000), wk = 0.0029940 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 133) = ( 0.0000000 0.0000000 0.0122060), wk = 0.0029940 k( 134) = ( 0.0000000 0.0000000 0.0244119), wk = 0.0029940 k( 135) = ( 0.0000000 0.0000000 0.0366179), wk = 0.0029940 k( 136) = ( 0.0000000 0.0000000 0.0488238), wk = 0.0029940 k( 137) = ( 0.0000000 0.0000000 0.0610298), wk = 0.0029940 k( 138) = ( 0.0000000 0.0000000 0.0732358), wk = 0.0029940 k( 139) = ( 0.0000000 0.0000000 0.0854417), wk = 0.0029940 k( 140) = ( 0.0000000 0.0000000 0.0976477), wk = 0.0029940 k( 141) = ( 0.0000000 0.0000000 0.1098537), wk = 0.0029940 k( 142) = ( 0.0000000 0.0000000 0.1220596), wk = 0.0029940 k( 143) = ( 0.0000000 0.0000000 0.1342656), wk = 0.0029940 k( 144) = ( 0.0000000 0.0000000 0.1464715), wk = 0.0029940 k( 145) = ( 0.0000000 0.0000000 0.1586775), wk = 0.0029940 k( 146) = ( 0.0000000 0.0000000 0.1708835), wk = 0.0029940 k( 147) = ( 0.0000000 0.0000000 0.1830894), wk = 0.0029940 k( 148) = ( 0.0000000 0.0000000 0.1952954), wk = 0.0029940 k( 149) = ( 0.0000000 0.0000000 0.2075013), wk = 0.0029940 k( 150) = ( 0.0000000 0.0000000 0.2197073), wk = 0.0029940 k( 151) = ( 0.0000000 0.0000000 0.2319133), wk = 0.0029940 k( 152) = ( 0.0000000 0.0000000 0.2441192), wk = 0.0029940 k( 153) = ( 0.0000000 0.0000000 0.2563252), wk = 0.0029940 k( 154) = ( 0.0000000 0.0000000 0.2685312), wk = 0.0029940 k( 155) = ( 0.0000000 0.0000000 0.2807371), wk = 0.0029940 k( 156) = ( 0.0000000 0.0000000 0.2807371), wk = 0.0029940 k( 157) = ( 0.0106383 0.0061420 0.2807371), wk = 0.0029940 k( 158) = ( 0.0212766 0.0122841 0.2807371), wk = 0.0029940 k( 159) = ( 0.0319149 0.0184261 0.2807371), wk = 0.0029940 k( 160) = ( 0.0425532 0.0245681 0.2807371), wk = 0.0029940 k( 161) = ( 0.0531915 0.0307101 0.2807371), wk = 0.0029940 k( 162) = ( 0.0638298 0.0368521 0.2807371), wk = 0.0029940 k( 163) = ( 0.0744681 0.0429942 0.2807371), wk = 0.0029940 k( 164) = ( 0.0851064 0.0491362 0.2807371), wk = 0.0029940 k( 165) = ( 0.0957447 0.0552782 0.2807371), wk = 0.0029940 k( 166) = ( 0.1063830 0.0614202 0.2807371), wk = 0.0029940 k( 167) = ( 0.1170213 0.0675623 0.2807371), wk = 0.0029940 k( 168) = ( 0.1276596 0.0737043 0.2807371), wk = 0.0029940 k( 169) = ( 0.1382979 0.0798463 0.2807371), wk = 0.0029940 k( 170) = ( 0.1489362 0.0859883 0.2807371), wk = 0.0029940 k( 171) = ( 0.1595745 0.0921304 0.2807371), wk = 0.0029940 k( 172) = ( 0.1702128 0.0982724 0.2807371), wk = 0.0029940 k( 173) = ( 0.1808511 0.1044144 0.2807371), wk = 0.0029940 k( 174) = ( 0.1914894 0.1105564 0.2807371), wk = 0.0029940 k( 175) = ( 0.2021277 0.1166985 0.2807371), wk = 0.0029940 k( 176) = ( 0.2127660 0.1228405 0.2807371), wk = 0.0029940 k( 177) = ( 0.2234043 0.1289825 0.2807371), wk = 0.0029940 k( 178) = ( 0.2340425 0.1351245 0.2807371), wk = 0.0029940 k( 179) = ( 0.2446809 0.1412666 0.2807371), wk = 0.0029940 k( 180) = ( 0.2553191 0.1474086 0.2807371), wk = 0.0029940 k( 181) = ( 0.2659574 0.1535506 0.2807371), wk = 0.0029940 k( 182) = ( 0.2765957 0.1596926 0.2807371), wk = 0.0029940 k( 183) = ( 0.2872340 0.1658347 0.2807371), wk = 0.0029940 k( 184) = ( 0.2978723 0.1719767 0.2807371), wk = 0.0029940 k( 185) = ( 0.3085106 0.1781187 0.2807371), wk = 0.0029940 k( 186) = ( 0.3191489 0.1842607 0.2807371), wk = 0.0029940 k( 187) = ( 0.3297872 0.1904027 0.2807371), wk = 0.0029940 k( 188) = ( 0.3404255 0.1965448 0.2807371), wk = 0.0029940 k( 189) = ( 0.3510638 0.2026868 0.2807371), wk = 0.0029940 k( 190) = ( 0.3617021 0.2088288 0.2807371), wk = 0.0029940 k( 191) = ( 0.3723404 0.2149708 0.2807371), wk = 0.0029940 k( 192) = ( 0.3829787 0.2211129 0.2807371), wk = 0.0029940 k( 193) = ( 0.3936170 0.2272549 0.2807371), wk = 0.0029940 k( 194) = ( 0.4042553 0.2333969 0.2807371), wk = 0.0029940 k( 195) = ( 0.4148936 0.2395389 0.2807371), wk = 0.0029940 k( 196) = ( 0.4255319 0.2456810 0.2807371), wk = 0.0029940 k( 197) = ( 0.4361702 0.2518230 0.2807371), wk = 0.0029940 k( 198) = ( 0.4468085 0.2579650 0.2807371), wk = 0.0029940 k( 199) = ( 0.4574468 0.2641070 0.2807371), wk = 0.0029940 k( 200) = ( 0.4680851 0.2702491 0.2807371), wk = 0.0029940 k( 201) = ( 0.4787234 0.2763911 0.2807371), wk = 0.0029940 k( 202) = ( 0.4893617 0.2825331 0.2807371), wk = 0.0029940 k( 203) = ( 0.5000000 0.2886751 0.2807371), wk = 0.0029940 k( 204) = ( 0.5000000 0.2886751 0.2807371), wk = 0.0029940 k( 205) = ( 0.4938272 0.2993668 0.2807371), wk = 0.0029940 k( 206) = ( 0.4876543 0.3100585 0.2807371), wk = 0.0029940 k( 207) = ( 0.4814815 0.3207502 0.2807371), wk = 0.0029940 k( 208) = ( 0.4753086 0.3314418 0.2807371), wk = 0.0029940 k( 209) = ( 0.4691358 0.3421335 0.2807371), wk = 0.0029940 k( 210) = ( 0.4629630 0.3528252 0.2807371), wk = 0.0029940 k( 211) = ( 0.4567901 0.3635168 0.2807371), wk = 0.0029940 k( 212) = ( 0.4506173 0.3742085 0.2807371), wk = 0.0029940 k( 213) = ( 0.4444444 0.3849002 0.2807371), wk = 0.0029940 k( 214) = ( 0.4382716 0.3955918 0.2807371), wk = 0.0029940 k( 215) = ( 0.4320988 0.4062835 0.2807371), wk = 0.0029940 k( 216) = ( 0.4259259 0.4169752 0.2807371), wk = 0.0029940 k( 217) = ( 0.4197531 0.4276669 0.2807371), wk = 0.0029940 k( 218) = ( 0.4135802 0.4383585 0.2807371), wk = 0.0029940 k( 219) = ( 0.4074074 0.4490502 0.2807371), wk = 0.0029940 k( 220) = ( 0.4012346 0.4597419 0.2807371), wk = 0.0029940 k( 221) = ( 0.3950617 0.4704335 0.2807371), wk = 0.0029940 k( 222) = ( 0.3888889 0.4811252 0.2807371), wk = 0.0029940 k( 223) = ( 0.3827160 0.4918169 0.2807371), wk = 0.0029940 k( 224) = ( 0.3765432 0.5025086 0.2807371), wk = 0.0029940 k( 225) = ( 0.3703704 0.5132002 0.2807371), wk = 0.0029940 k( 226) = ( 0.3641975 0.5238919 0.2807371), wk = 0.0029940 k( 227) = ( 0.3580247 0.5345836 0.2807371), wk = 0.0029940 k( 228) = ( 0.3518519 0.5452753 0.2807371), wk = 0.0029940 k( 229) = ( 0.3456790 0.5559669 0.2807371), wk = 0.0029940 k( 230) = ( 0.3395062 0.5666586 0.2807371), wk = 0.0029940 k( 231) = ( 0.3333333 0.5773503 0.2807371), wk = 0.0029940 k( 232) = ( 0.3333333 0.5773503 0.2807371), wk = 0.0029940 k( 233) = ( 0.3271605 0.5666586 0.2807371), wk = 0.0029940 k( 234) = ( 0.3209877 0.5559669 0.2807371), wk = 0.0029940 k( 235) = ( 0.3148148 0.5452752 0.2807371), wk = 0.0029940 k( 236) = ( 0.3086420 0.5345836 0.2807371), wk = 0.0029940 k( 237) = ( 0.3024691 0.5238919 0.2807371), wk = 0.0029940 k( 238) = ( 0.2962963 0.5132002 0.2807371), wk = 0.0029940 k( 239) = ( 0.2901235 0.5025086 0.2807371), wk = 0.0029940 k( 240) = ( 0.2839506 0.4918169 0.2807371), wk = 0.0029940 k( 241) = ( 0.2777778 0.4811252 0.2807371), wk = 0.0029940 k( 242) = ( 0.2716049 0.4704336 0.2807371), wk = 0.0029940 k( 243) = ( 0.2654321 0.4597419 0.2807371), wk = 0.0029940 k( 244) = ( 0.2592593 0.4490502 0.2807371), wk = 0.0029940 k( 245) = ( 0.2530864 0.4383585 0.2807371), wk = 0.0029940 k( 246) = ( 0.2469136 0.4276669 0.2807371), wk = 0.0029940 k( 247) = ( 0.2407407 0.4169752 0.2807371), wk = 0.0029940 k( 248) = ( 0.2345679 0.4062835 0.2807371), wk = 0.0029940 k( 249) = ( 0.2283951 0.3955918 0.2807371), wk = 0.0029940 k( 250) = ( 0.2222222 0.3849002 0.2807371), wk = 0.0029940 k( 251) = ( 0.2160494 0.3742085 0.2807371), wk = 0.0029940 k( 252) = ( 0.2098765 0.3635168 0.2807371), wk = 0.0029940 k( 253) = ( 0.2037037 0.3528252 0.2807371), wk = 0.0029940 k( 254) = ( 0.1975309 0.3421335 0.2807371), wk = 0.0029940 k( 255) = ( 0.1913580 0.3314418 0.2807371), wk = 0.0029940 k( 256) = ( 0.1851852 0.3207502 0.2807371), wk = 0.0029940 k( 257) = ( 0.1790123 0.3100585 0.2807371), wk = 0.0029940 k( 258) = ( 0.1728395 0.2993668 0.2807371), wk = 0.0029940 k( 259) = ( 0.1666667 0.2886751 0.2807371), wk = 0.0029940 k( 260) = ( 0.1604938 0.2779835 0.2807371), wk = 0.0029940 k( 261) = ( 0.1543210 0.2672918 0.2807371), wk = 0.0029940 k( 262) = ( 0.1481482 0.2566001 0.2807371), wk = 0.0029940 k( 263) = ( 0.1419753 0.2459085 0.2807371), wk = 0.0029940 k( 264) = ( 0.1358025 0.2352168 0.2807371), wk = 0.0029940 k( 265) = ( 0.1296296 0.2245251 0.2807371), wk = 0.0029940 k( 266) = ( 0.1234568 0.2138334 0.2807371), wk = 0.0029940 k( 267) = ( 0.1172839 0.2031418 0.2807371), wk = 0.0029940 k( 268) = ( 0.1111111 0.1924501 0.2807371), wk = 0.0029940 k( 269) = ( 0.1049383 0.1817584 0.2807371), wk = 0.0029940 k( 270) = ( 0.0987654 0.1710667 0.2807371), wk = 0.0029940 k( 271) = ( 0.0925926 0.1603751 0.2807371), wk = 0.0029940 k( 272) = ( 0.0864198 0.1496834 0.2807371), wk = 0.0029940 k( 273) = ( 0.0802469 0.1389917 0.2807371), wk = 0.0029940 k( 274) = ( 0.0740741 0.1283001 0.2807371), wk = 0.0029940 k( 275) = ( 0.0679012 0.1176084 0.2807371), wk = 0.0029940 k( 276) = ( 0.0617284 0.1069167 0.2807371), wk = 0.0029940 k( 277) = ( 0.0555556 0.0962251 0.2807371), wk = 0.0029940 k( 278) = ( 0.0493827 0.0855334 0.2807371), wk = 0.0029940 k( 279) = ( 0.0432099 0.0748417 0.2807371), wk = 0.0029940 k( 280) = ( 0.0370370 0.0641500 0.2807371), wk = 0.0029940 k( 281) = ( 0.0308642 0.0534584 0.2807371), wk = 0.0029940 k( 282) = ( 0.0246914 0.0427667 0.2807371), wk = 0.0029940 k( 283) = ( 0.0185185 0.0320750 0.2807371), wk = 0.0029940 k( 284) = ( 0.0123457 0.0213833 0.2807371), wk = 0.0029940 k( 285) = ( 0.0061728 0.0106917 0.2807371), wk = 0.0029940 k( 286) = ( 0.0000000 0.0000000 0.2807371), wk = 0.0029940 k( 287) = ( 0.5000000 0.2886751 0.2807371), wk = 0.0029940 k( 288) = ( 0.5000000 0.2886751 0.2685312), wk = 0.0029940 k( 289) = ( 0.5000000 0.2886751 0.2563252), wk = 0.0029940 k( 290) = ( 0.5000000 0.2886751 0.2441192), wk = 0.0029940 k( 291) = ( 0.5000000 0.2886751 0.2319133), wk = 0.0029940 k( 292) = ( 0.5000000 0.2886751 0.2197073), wk = 0.0029940 k( 293) = ( 0.5000000 0.2886751 0.2075013), wk = 0.0029940 k( 294) = ( 0.5000000 0.2886751 0.1952954), wk = 0.0029940 k( 295) = ( 0.5000000 0.2886751 0.1830894), wk = 0.0029940 k( 296) = ( 0.5000000 0.2886751 0.1708835), wk = 0.0029940 k( 297) = ( 0.5000000 0.2886751 0.1586775), wk = 0.0029940 k( 298) = ( 0.5000000 0.2886751 0.1464715), wk = 0.0029940 k( 299) = ( 0.5000000 0.2886751 0.1342656), wk = 0.0029940 k( 300) = ( 0.5000000 0.2886751 0.1220596), wk = 0.0029940 k( 301) = ( 0.5000000 0.2886751 0.1098537), wk = 0.0029940 k( 302) = ( 0.5000000 0.2886751 0.0976477), wk = 0.0029940 k( 303) = ( 0.5000000 0.2886751 0.0854417), wk = 0.0029940 k( 304) = ( 0.5000000 0.2886751 0.0732358), wk = 0.0029940 k( 305) = ( 0.5000000 0.2886751 0.0610298), wk = 0.0029940 k( 306) = ( 0.5000000 0.2886751 0.0488238), wk = 0.0029940 k( 307) = ( 0.5000000 0.2886751 0.0366179), wk = 0.0029940 k( 308) = ( 0.5000000 0.2886751 0.0244119), wk = 0.0029940 k( 309) = ( 0.5000000 0.2886751 0.0122060), wk = 0.0029940 k( 310) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029940 k( 311) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029940 k( 312) = ( 0.3333333 0.5773503 0.0122060), wk = 0.0029940 k( 313) = ( 0.3333333 0.5773503 0.0244119), wk = 0.0029940 k( 314) = ( 0.3333333 0.5773503 0.0366179), wk = 0.0029940 k( 315) = ( 0.3333333 0.5773503 0.0488238), wk = 0.0029940 k( 316) = ( 0.3333333 0.5773503 0.0610298), wk = 0.0029940 k( 317) = ( 0.3333333 0.5773503 0.0732358), wk = 0.0029940 k( 318) = ( 0.3333333 0.5773503 0.0854417), wk = 0.0029940 k( 319) = ( 0.3333333 0.5773503 0.0976477), wk = 0.0029940 k( 320) = ( 0.3333333 0.5773503 0.1098537), wk = 0.0029940 k( 321) = ( 0.3333333 0.5773503 0.1220596), wk = 0.0029940 k( 322) = ( 0.3333333 0.5773503 0.1342656), wk = 0.0029940 k( 323) = ( 0.3333333 0.5773503 0.1464715), wk = 0.0029940 k( 324) = ( 0.3333333 0.5773503 0.1586775), wk = 0.0029940 k( 325) = ( 0.3333333 0.5773503 0.1708835), wk = 0.0029940 k( 326) = ( 0.3333333 0.5773503 0.1830894), wk = 0.0029940 k( 327) = ( 0.3333333 0.5773503 0.1952954), wk = 0.0029940 k( 328) = ( 0.3333333 0.5773503 0.2075013), wk = 0.0029940 k( 329) = ( 0.3333333 0.5773503 0.2197073), wk = 0.0029940 k( 330) = ( 0.3333333 0.5773503 0.2319133), wk = 0.0029940 k( 331) = ( 0.3333333 0.5773503 0.2441192), wk = 0.0029940 k( 332) = ( 0.3333333 0.5773503 0.2563252), wk = 0.0029940 k( 333) = ( 0.3333333 0.5773503 0.2685312), wk = 0.0029940 k( 334) = ( 0.3333333 0.5773503 0.2807371), wk = 0.0029940 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0106383 -0.0000000 -0.0000000), wk = 0.0029940 k( 3) = ( 0.0212766 -0.0000000 -0.0000000), wk = 0.0029940 k( 4) = ( 0.0319149 0.0000000 -0.0000000), wk = 0.0029940 k( 5) = ( 0.0425532 -0.0000000 0.0000000), wk = 0.0029940 k( 6) = ( 0.0531915 0.0000000 -0.0000000), wk = 0.0029940 k( 7) = ( 0.0638298 0.0000000 -0.0000000), wk = 0.0029940 k( 8) = ( 0.0744681 -0.0000000 -0.0000000), wk = 0.0029940 k( 9) = ( 0.0851064 -0.0000000 0.0000000), wk = 0.0029940 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0029940 k( 11) = ( 0.1063830 0.0000000 -0.0000000), wk = 0.0029940 k( 12) = ( 0.1170213 -0.0000000 -0.0000000), wk = 0.0029940 k( 13) = ( 0.1276596 0.0000000 -0.0000000), wk = 0.0029940 k( 14) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0029940 k( 15) = ( 0.1489362 -0.0000000 0.0000000), wk = 0.0029940 k( 16) = ( 0.1595745 0.0000000 -0.0000000), wk = 0.0029940 k( 17) = ( 0.1702128 -0.0000000 0.0000000), wk = 0.0029940 k( 18) = ( 0.1808511 -0.0000000 0.0000000), wk = 0.0029940 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0029940 k( 20) = ( 0.2021277 -0.0000000 -0.0000000), wk = 0.0029940 k( 21) = ( 0.2127660 0.0000000 -0.0000000), wk = 0.0029940 k( 22) = ( 0.2234043 0.0000000 -0.0000000), wk = 0.0029940 k( 23) = ( 0.2340425 0.0000000 -0.0000000), wk = 0.0029940 k( 24) = ( 0.2446809 -0.0000000 0.0000000), wk = 0.0029940 k( 25) = ( 0.2553191 0.0000000 -0.0000000), wk = 0.0029940 k( 26) = ( 0.2659574 0.0000000 -0.0000000), wk = 0.0029940 k( 27) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0029940 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0029940 k( 29) = ( 0.2978723 -0.0000000 0.0000000), wk = 0.0029940 k( 30) = ( 0.3085106 0.0000000 -0.0000000), wk = 0.0029940 k( 31) = ( 0.3191489 0.0000000 -0.0000000), wk = 0.0029940 k( 32) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0029940 k( 33) = ( 0.3404255 0.0000000 -0.0000000), wk = 0.0029940 k( 34) = ( 0.3510638 -0.0000000 0.0000000), wk = 0.0029940 k( 35) = ( 0.3617021 -0.0000000 0.0000000), wk = 0.0029940 k( 36) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0029940 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0029940 k( 38) = ( 0.3936170 0.0000000 -0.0000000), wk = 0.0029940 k( 39) = ( 0.4042553 -0.0000000 -0.0000000), wk = 0.0029940 k( 40) = ( 0.4148936 0.0000000 -0.0000000), wk = 0.0029940 k( 41) = ( 0.4255319 -0.0000000 -0.0000000), wk = 0.0029940 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0029940 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0029940 k( 44) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0029940 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0029940 k( 46) = ( 0.4787234 -0.0000000 -0.0000000), wk = 0.0029940 k( 47) = ( 0.4893617 -0.0000000 0.0000000), wk = 0.0029940 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029940 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029940 k( 50) = ( 0.4938272 0.0123457 -0.0000000), wk = 0.0029940 k( 51) = ( 0.4876543 0.0246914 -0.0000000), wk = 0.0029940 k( 52) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0029940 k( 53) = ( 0.4753086 0.0493827 0.0000000), wk = 0.0029940 k( 54) = ( 0.4691358 0.0617284 -0.0000000), wk = 0.0029940 k( 55) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0029940 k( 56) = ( 0.4567901 0.0864197 -0.0000000), wk = 0.0029940 k( 57) = ( 0.4506173 0.0987654 -0.0000000), wk = 0.0029940 k( 58) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0029940 k( 59) = ( 0.4382716 0.1234568 -0.0000000), wk = 0.0029940 k( 60) = ( 0.4320988 0.1358025 -0.0000000), wk = 0.0029940 k( 61) = ( 0.4259259 0.1481481 -0.0000000), wk = 0.0029940 k( 62) = ( 0.4197531 0.1604938 -0.0000000), wk = 0.0029940 k( 63) = ( 0.4135802 0.1728395 0.0000000), wk = 0.0029940 k( 64) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0029940 k( 65) = ( 0.4012346 0.1975309 -0.0000000), wk = 0.0029940 k( 66) = ( 0.3950617 0.2098765 -0.0000000), wk = 0.0029940 k( 67) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0029940 k( 68) = ( 0.3827160 0.2345679 -0.0000000), wk = 0.0029940 k( 69) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0029940 k( 70) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0029940 k( 71) = ( 0.3641975 0.2716049 -0.0000000), wk = 0.0029940 k( 72) = ( 0.3580247 0.2839506 -0.0000000), wk = 0.0029940 k( 73) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0029940 k( 74) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0029940 k( 75) = ( 0.3395062 0.3209877 -0.0000000), wk = 0.0029940 k( 76) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029940 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029940 k( 78) = ( 0.3271605 0.3271605 -0.0000000), wk = 0.0029940 k( 79) = ( 0.3209877 0.3209877 0.0000000), wk = 0.0029940 k( 80) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0029940 k( 81) = ( 0.3086420 0.3086420 -0.0000000), wk = 0.0029940 k( 82) = ( 0.3024691 0.3024691 -0.0000000), wk = 0.0029940 k( 83) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0029940 k( 84) = ( 0.2901235 0.2901235 -0.0000000), wk = 0.0029940 k( 85) = ( 0.2839506 0.2839506 -0.0000000), wk = 0.0029940 k( 86) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0029940 k( 87) = ( 0.2716049 0.2716049 -0.0000000), wk = 0.0029940 k( 88) = ( 0.2654321 0.2654321 0.0000000), wk = 0.0029940 k( 89) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0029940 k( 90) = ( 0.2530864 0.2530864 -0.0000000), wk = 0.0029940 k( 91) = ( 0.2469136 0.2469136 -0.0000000), wk = 0.0029940 k( 92) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0029940 k( 93) = ( 0.2345679 0.2345679 0.0000000), wk = 0.0029940 k( 94) = ( 0.2283951 0.2283951 -0.0000000), wk = 0.0029940 k( 95) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0029940 k( 96) = ( 0.2160494 0.2160494 -0.0000000), wk = 0.0029940 k( 97) = ( 0.2098765 0.2098765 0.0000000), wk = 0.0029940 k( 98) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0029940 k( 99) = ( 0.1975309 0.1975309 0.0000000), wk = 0.0029940 k( 100) = ( 0.1913580 0.1913580 0.0000000), wk = 0.0029940 k( 101) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0029940 k( 102) = ( 0.1790123 0.1790123 -0.0000000), wk = 0.0029940 k( 103) = ( 0.1728395 0.1728395 -0.0000000), wk = 0.0029940 k( 104) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029940 k( 105) = ( 0.1604938 0.1604938 -0.0000000), wk = 0.0029940 k( 106) = ( 0.1543210 0.1543210 -0.0000000), wk = 0.0029940 k( 107) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0029940 k( 108) = ( 0.1419753 0.1419753 -0.0000000), wk = 0.0029940 k( 109) = ( 0.1358025 0.1358025 -0.0000000), wk = 0.0029940 k( 110) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0029940 k( 111) = ( 0.1234568 0.1234568 -0.0000000), wk = 0.0029940 k( 112) = ( 0.1172839 0.1172839 0.0000000), wk = 0.0029940 k( 113) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0029940 k( 114) = ( 0.1049383 0.1049383 0.0000000), wk = 0.0029940 k( 115) = ( 0.0987654 0.0987654 0.0000000), wk = 0.0029940 k( 116) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0029940 k( 117) = ( 0.0864198 0.0864198 0.0000000), wk = 0.0029940 k( 118) = ( 0.0802469 0.0802469 -0.0000000), wk = 0.0029940 k( 119) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0029940 k( 120) = ( 0.0679012 0.0679012 -0.0000000), wk = 0.0029940 k( 121) = ( 0.0617284 0.0617284 0.0000000), wk = 0.0029940 k( 122) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0029940 k( 123) = ( 0.0493827 0.0493827 -0.0000000), wk = 0.0029940 k( 124) = ( 0.0432099 0.0432099 0.0000000), wk = 0.0029940 k( 125) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0029940 k( 126) = ( 0.0308642 0.0308642 0.0000000), wk = 0.0029940 k( 127) = ( 0.0246914 0.0246914 -0.0000000), wk = 0.0029940 k( 128) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0029940 k( 129) = ( 0.0123457 0.0123457 -0.0000000), wk = 0.0029940 k( 130) = ( 0.0061728 0.0061728 -0.0000000), wk = 0.0029940 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 133) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0029940 k( 134) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0029940 k( 135) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0029940 k( 136) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0029940 k( 137) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0029940 k( 138) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0029940 k( 139) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0029940 k( 140) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0029940 k( 141) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0029940 k( 142) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0029940 k( 143) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0029940 k( 144) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0029940 k( 145) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0029940 k( 146) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0029940 k( 147) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0029940 k( 148) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0029940 k( 149) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0029940 k( 150) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0029940 k( 151) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0029940 k( 152) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0029940 k( 153) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0029940 k( 154) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0029940 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 157) = ( 0.0106383 -0.0000000 0.5000000), wk = 0.0029940 k( 158) = ( 0.0212766 -0.0000000 0.5000000), wk = 0.0029940 k( 159) = ( 0.0319149 0.0000000 0.5000000), wk = 0.0029940 k( 160) = ( 0.0425532 -0.0000000 0.5000000), wk = 0.0029940 k( 161) = ( 0.0531915 0.0000000 0.5000000), wk = 0.0029940 k( 162) = ( 0.0638298 0.0000000 0.5000000), wk = 0.0029940 k( 163) = ( 0.0744681 -0.0000000 0.5000000), wk = 0.0029940 k( 164) = ( 0.0851064 -0.0000000 0.5000000), wk = 0.0029940 k( 165) = ( 0.0957447 0.0000000 0.5000000), wk = 0.0029940 k( 166) = ( 0.1063830 0.0000000 0.5000000), wk = 0.0029940 k( 167) = ( 0.1170213 -0.0000000 0.5000000), wk = 0.0029940 k( 168) = ( 0.1276596 0.0000000 0.5000000), wk = 0.0029940 k( 169) = ( 0.1382979 0.0000000 0.5000000), wk = 0.0029940 k( 170) = ( 0.1489362 -0.0000000 0.5000000), wk = 0.0029940 k( 171) = ( 0.1595745 0.0000000 0.5000000), wk = 0.0029940 k( 172) = ( 0.1702128 -0.0000000 0.5000000), wk = 0.0029940 k( 173) = ( 0.1808511 -0.0000000 0.5000000), wk = 0.0029940 k( 174) = ( 0.1914894 0.0000000 0.5000000), wk = 0.0029940 k( 175) = ( 0.2021277 -0.0000000 0.5000000), wk = 0.0029940 k( 176) = ( 0.2127660 0.0000000 0.5000000), wk = 0.0029940 k( 177) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0029940 k( 178) = ( 0.2340425 0.0000000 0.5000000), wk = 0.0029940 k( 179) = ( 0.2446809 -0.0000000 0.5000000), wk = 0.0029940 k( 180) = ( 0.2553191 0.0000000 0.5000000), wk = 0.0029940 k( 181) = ( 0.2659574 0.0000000 0.5000000), wk = 0.0029940 k( 182) = ( 0.2765957 0.0000000 0.5000000), wk = 0.0029940 k( 183) = ( 0.2872340 0.0000000 0.5000000), wk = 0.0029940 k( 184) = ( 0.2978723 -0.0000000 0.5000000), wk = 0.0029940 k( 185) = ( 0.3085106 0.0000000 0.5000000), wk = 0.0029940 k( 186) = ( 0.3191489 0.0000000 0.5000000), wk = 0.0029940 k( 187) = ( 0.3297872 -0.0000000 0.5000000), wk = 0.0029940 k( 188) = ( 0.3404255 0.0000000 0.5000000), wk = 0.0029940 k( 189) = ( 0.3510638 -0.0000000 0.5000000), wk = 0.0029940 k( 190) = ( 0.3617021 -0.0000000 0.5000000), wk = 0.0029940 k( 191) = ( 0.3723404 -0.0000000 0.5000000), wk = 0.0029940 k( 192) = ( 0.3829787 0.0000000 0.5000000), wk = 0.0029940 k( 193) = ( 0.3936170 0.0000000 0.5000000), wk = 0.0029940 k( 194) = ( 0.4042553 -0.0000000 0.5000000), wk = 0.0029940 k( 195) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0029940 k( 196) = ( 0.4255319 -0.0000000 0.5000000), wk = 0.0029940 k( 197) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0029940 k( 198) = ( 0.4468085 -0.0000000 0.5000000), wk = 0.0029940 k( 199) = ( 0.4574468 -0.0000000 0.5000000), wk = 0.0029940 k( 200) = ( 0.4680851 0.0000000 0.5000000), wk = 0.0029940 k( 201) = ( 0.4787234 -0.0000000 0.5000000), wk = 0.0029940 k( 202) = ( 0.4893617 -0.0000000 0.5000000), wk = 0.0029940 k( 203) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029940 k( 204) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029940 k( 205) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0029940 k( 206) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0029940 k( 207) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0029940 k( 208) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0029940 k( 209) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0029940 k( 210) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0029940 k( 211) = ( 0.4567901 0.0864197 0.5000000), wk = 0.0029940 k( 212) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0029940 k( 213) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0029940 k( 214) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0029940 k( 215) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0029940 k( 216) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0029940 k( 217) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0029940 k( 218) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0029940 k( 219) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0029940 k( 220) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0029940 k( 221) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0029940 k( 222) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0029940 k( 223) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0029940 k( 224) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0029940 k( 225) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0029940 k( 226) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0029940 k( 227) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0029940 k( 228) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0029940 k( 229) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0029940 k( 230) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0029940 k( 231) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029940 k( 232) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029940 k( 233) = ( 0.3271605 0.3271605 0.5000000), wk = 0.0029940 k( 234) = ( 0.3209877 0.3209877 0.5000000), wk = 0.0029940 k( 235) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0029940 k( 236) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0029940 k( 237) = ( 0.3024691 0.3024691 0.5000000), wk = 0.0029940 k( 238) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0029940 k( 239) = ( 0.2901235 0.2901235 0.5000000), wk = 0.0029940 k( 240) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0029940 k( 241) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0029940 k( 242) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0029940 k( 243) = ( 0.2654321 0.2654321 0.5000000), wk = 0.0029940 k( 244) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0029940 k( 245) = ( 0.2530864 0.2530864 0.5000000), wk = 0.0029940 k( 246) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0029940 k( 247) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0029940 k( 248) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0029940 k( 249) = ( 0.2283951 0.2283951 0.5000000), wk = 0.0029940 k( 250) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029940 k( 251) = ( 0.2160494 0.2160494 0.5000000), wk = 0.0029940 k( 252) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0029940 k( 253) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0029940 k( 254) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0029940 k( 255) = ( 0.1913580 0.1913580 0.5000000), wk = 0.0029940 k( 256) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0029940 k( 257) = ( 0.1790123 0.1790123 0.5000000), wk = 0.0029940 k( 258) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0029940 k( 259) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029940 k( 260) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0029940 k( 261) = ( 0.1543210 0.1543210 0.5000000), wk = 0.0029940 k( 262) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0029940 k( 263) = ( 0.1419753 0.1419753 0.5000000), wk = 0.0029940 k( 264) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0029940 k( 265) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0029940 k( 266) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0029940 k( 267) = ( 0.1172839 0.1172839 0.5000000), wk = 0.0029940 k( 268) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029940 k( 269) = ( 0.1049383 0.1049383 0.5000000), wk = 0.0029940 k( 270) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0029940 k( 271) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0029940 k( 272) = ( 0.0864198 0.0864198 0.5000000), wk = 0.0029940 k( 273) = ( 0.0802469 0.0802469 0.5000000), wk = 0.0029940 k( 274) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0029940 k( 275) = ( 0.0679012 0.0679012 0.5000000), wk = 0.0029940 k( 276) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0029940 k( 277) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0029940 k( 278) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0029940 k( 279) = ( 0.0432099 0.0432099 0.5000000), wk = 0.0029940 k( 280) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0029940 k( 281) = ( 0.0308642 0.0308642 0.5000000), wk = 0.0029940 k( 282) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0029940 k( 283) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0029940 k( 284) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0029940 k( 285) = ( 0.0061728 0.0061728 0.5000000), wk = 0.0029940 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 287) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029940 k( 288) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0029940 k( 289) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0029940 k( 290) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0029940 k( 291) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0029940 k( 292) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0029940 k( 293) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0029940 k( 294) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0029940 k( 295) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0029940 k( 296) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0029940 k( 297) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0029940 k( 298) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0029940 k( 299) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0029940 k( 300) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0029940 k( 301) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0029940 k( 302) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0029940 k( 303) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0029940 k( 304) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0029940 k( 305) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0029940 k( 306) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0029940 k( 307) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0029940 k( 308) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0029940 k( 309) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0029940 k( 310) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029940 k( 311) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029940 k( 312) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0029940 k( 313) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0029940 k( 314) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0029940 k( 315) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0029940 k( 316) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0029940 k( 317) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0029940 k( 318) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0029940 k( 319) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0029940 k( 320) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0029940 k( 321) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0029940 k( 322) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0029940 k( 323) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0029940 k( 324) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0029940 k( 325) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0029940 k( 326) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0029940 k( 327) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0029940 k( 328) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0029940 k( 329) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0029940 k( 330) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0029940 k( 331) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0029940 k( 332) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0029940 k( 333) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0029940 k( 334) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029940 Dense grid: 47871 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 29771 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 212, 38) NL pseudopotentials 0.14 Mb ( 106, 88) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1331) G-vector shells 0.01 Mb ( 663) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 212, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.10 Mb ( 88, 2, 38) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Ca2H3Br.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.6 secs Computing kpt #: 6 total cpu time spent up to now is 8.4 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.3 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 11.4 secs Computing kpt #: 10 total cpu time spent up to now is 12.1 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 13.1 secs Computing kpt #: 12 total cpu time spent up to now is 13.9 secs Computing kpt #: 13 total cpu time spent up to now is 14.8 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 15.8 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 16.9 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 17.9 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.9 secs Computing kpt #: 18 total cpu time spent up to now is 19.6 secs Computing kpt #: 19 total cpu time spent up to now is 20.3 secs Computing kpt #: 20 total cpu time spent up to now is 20.9 secs Computing kpt #: 21 total cpu time spent up to now is 21.6 secs Computing kpt #: 22 total cpu time spent up to now is 22.2 secs Computing kpt #: 23 total cpu time spent up to now is 22.7 secs Computing kpt #: 24 total cpu time spent up to now is 23.1 secs Computing kpt #: 25 total cpu time spent up to now is 23.7 secs Computing kpt #: 26 total cpu time spent up to now is 24.2 secs Computing kpt #: 27 total cpu time spent up to now is 24.6 secs Computing kpt #: 28 total cpu time spent up to now is 25.1 secs Computing kpt #: 29 total cpu time spent up to now is 25.5 secs Computing kpt #: 30 total cpu time spent up to now is 26.0 secs Computing kpt #: 31 total cpu time spent up to now is 26.4 secs Computing kpt #: 32 total cpu time spent up to now is 26.9 secs Computing kpt #: 33 total cpu time spent up to now is 27.3 secs Computing kpt #: 34 total cpu time spent up to now is 27.8 secs Computing kpt #: 35 total cpu time spent up to now is 28.2 secs Computing kpt #: 36 total cpu time spent up to now is 28.7 secs Computing kpt #: 37 total cpu time spent up to now is 29.2 secs Computing kpt #: 38 total cpu time spent up to now is 29.6 secs Computing kpt #: 39 total cpu time spent up to now is 30.0 secs Computing kpt #: 40 total cpu time spent up to now is 30.5 secs Computing kpt #: 41 total cpu time spent up to now is 30.9 secs Computing kpt #: 42 total cpu time spent up to now is 31.3 secs Computing kpt #: 43 total cpu time spent up to now is 31.7 secs Computing kpt #: 44 total cpu time spent up to now is 32.2 secs Computing kpt #: 45 total cpu time spent up to now is 32.6 secs Computing kpt #: 46 total cpu time spent up to now is 33.0 secs Computing kpt #: 47 total cpu time spent up to now is 33.4 secs Computing kpt #: 48 total cpu time spent up to now is 33.9 secs Computing kpt #: 49 total cpu time spent up to now is 34.3 secs Computing kpt #: 50 total cpu time spent up to now is 34.8 secs Computing kpt #: 51 total cpu time spent up to now is 35.2 secs Computing kpt #: 52 total cpu time spent up to now is 35.7 secs Computing kpt #: 53 total cpu time spent up to now is 36.1 secs Computing kpt #: 54 total cpu time spent up to now is 36.6 secs Computing kpt #: 55 total cpu time spent up to now is 37.1 secs Computing kpt #: 56 total cpu time spent up to now is 37.5 secs Computing kpt #: 57 total cpu time spent up to now is 38.0 secs Computing kpt #: 58 total cpu time spent up to now is 38.7 secs Computing kpt #: 59 total cpu time spent up to now is 39.6 secs Computing kpt #: 60 total cpu time spent up to now is 40.2 secs Computing kpt #: 61 total cpu time spent up to now is 40.7 secs Computing kpt #: 62 total cpu time spent up to now is 41.3 secs Computing kpt #: 63 total cpu time spent up to now is 41.8 secs Computing kpt #: 64 total cpu time spent up to now is 42.4 secs Computing kpt #: 65 total cpu time spent up to now is 42.9 secs Computing kpt #: 66 total cpu time spent up to now is 43.4 secs Computing kpt #: 67 total cpu time spent up to now is 43.9 secs Computing kpt #: 68 total cpu time spent up to now is 44.4 secs Computing kpt #: 69 total cpu time spent up to now is 44.9 secs Computing kpt #: 70 total cpu time spent up to now is 45.5 secs Computing kpt #: 71 total cpu time spent up to now is 46.0 secs Computing kpt #: 72 total cpu time spent up to now is 46.5 secs Computing kpt #: 73 total cpu time spent up to now is 47.0 secs Computing kpt #: 74 total cpu time spent up to now is 47.5 secs Computing kpt #: 75 total cpu time spent up to now is 48.1 secs Computing kpt #: 76 total cpu time spent up to now is 48.6 secs Computing kpt #: 77 total cpu time spent up to now is 49.1 secs Computing kpt #: 78 total cpu time spent up to now is 49.7 secs Computing kpt #: 79 total cpu time spent up to now is 50.2 secs Computing kpt #: 80 total cpu time spent up to now is 50.7 secs Computing kpt #: 81 total cpu time spent up to now is 51.2 secs Computing kpt #: 82 total cpu time spent up to now is 51.8 secs Computing kpt #: 83 total cpu time spent up to now is 52.3 secs Computing kpt #: 84 total cpu time spent up to now is 52.8 secs Computing kpt #: 85 total cpu time spent up to now is 53.3 secs Computing kpt #: 86 total cpu time spent up to now is 53.8 secs Computing kpt #: 87 total cpu time spent up to now is 54.3 secs Computing kpt #: 88 total cpu time spent up to now is 54.8 secs Computing kpt #: 89 total cpu time spent up to now is 55.2 secs Computing kpt #: 90 total cpu time spent up to now is 55.7 secs Computing kpt #: 91 total cpu time spent up to now is 56.2 secs Computing kpt #: 92 total cpu time spent up to now is 56.7 secs Computing kpt #: 93 total cpu time spent up to now is 57.2 secs Computing kpt #: 94 total cpu time spent up to now is 57.6 secs Computing kpt #: 95 total cpu time spent up to now is 58.1 secs Computing kpt #: 96 total cpu time spent up to now is 58.6 secs Computing kpt #: 97 total cpu time spent up to now is 59.0 secs Computing kpt #: 98 total cpu time spent up to now is 59.5 secs Computing kpt #: 99 total cpu time spent up to now is 60.0 secs Computing kpt #: 100 total cpu time spent up to now is 60.4 secs Computing kpt #: 101 total cpu time spent up to now is 60.9 secs Computing kpt #: 102 total cpu time spent up to now is 61.4 secs Computing kpt #: 103 total cpu time spent up to now is 61.9 secs Computing kpt #: 104 total cpu time spent up to now is 62.3 secs Computing kpt #: 105 total cpu time spent up to now is 62.8 secs Computing kpt #: 106 total cpu time spent up to now is 63.2 secs Computing kpt #: 107 total cpu time spent up to now is 63.7 secs Computing kpt #: 108 total cpu time spent up to now is 64.2 secs Computing kpt #: 109 total cpu time spent up to now is 64.7 secs Computing kpt #: 110 total cpu time spent up to now is 65.2 secs Computing kpt #: 111 total cpu time spent up to now is 65.7 secs Computing kpt #: 112 total cpu time spent up to now is 66.2 secs Computing kpt #: 113 total cpu time spent up to now is 66.8 secs Computing kpt #: 114 total cpu time spent up to now is 67.4 secs Computing kpt #: 115 total cpu time spent up to now is 68.1 secs Computing kpt #: 116 total cpu time spent up to now is 68.8 secs Computing kpt #: 117 total cpu time spent up to now is 69.5 secs Computing kpt #: 118 total cpu time spent up to now is 70.2 secs Computing kpt #: 119 total cpu time spent up to now is 71.0 secs Computing kpt #: 120 total cpu time spent up to now is 72.0 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.0 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.0 secs Computing kpt #: 123 total cpu time spent up to now is 75.0 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 76.1 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.1 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.1 secs Computing kpt #: 127 total cpu time spent up to now is 79.0 secs Computing kpt #: 128 total cpu time spent up to now is 79.9 secs Computing kpt #: 129 total cpu time spent up to now is 80.9 secs Computing kpt #: 130 total cpu time spent up to now is 81.8 secs Computing kpt #: 131 total cpu time spent up to now is 82.7 secs Computing kpt #: 132 total cpu time spent up to now is 83.6 secs Computing kpt #: 133 total cpu time spent up to now is 84.5 secs Computing kpt #: 134 total cpu time spent up to now is 85.2 secs Computing kpt #: 135 total cpu time spent up to now is 85.9 secs Computing kpt #: 136 total cpu time spent up to now is 86.6 secs Computing kpt #: 137 total cpu time spent up to now is 87.4 secs Computing kpt #: 138 total cpu time spent up to now is 88.2 secs Computing kpt #: 139 total cpu time spent up to now is 88.9 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.9 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.9 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.9 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.9 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.9 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.9 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.9 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.0 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.9 secs Computing kpt #: 149 total cpu time spent up to now is 98.8 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.7 secs Computing kpt #: 151 total cpu time spent up to now is 100.4 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.3 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.3 secs Computing kpt #: 154 total cpu time spent up to now is 103.1 secs Computing kpt #: 155 total cpu time spent up to now is 104.0 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.9 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.8 secs Computing kpt #: 158 total cpu time spent up to now is 106.3 secs Computing kpt #: 159 total cpu time spent up to now is 107.1 secs Computing kpt #: 160 total cpu time spent up to now is 107.6 secs Computing kpt #: 161 total cpu time spent up to now is 108.1 secs Computing kpt #: 162 total cpu time spent up to now is 108.8 secs Computing kpt #: 163 total cpu time spent up to now is 109.4 secs Computing kpt #: 164 total cpu time spent up to now is 109.8 secs Computing kpt #: 165 total cpu time spent up to now is 110.3 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.3 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.3 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.2 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.2 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 115.3 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 116.3 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.3 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.3 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.2 secs Computing kpt #: 175 total cpu time spent up to now is 120.1 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.0 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.1 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.1 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.0 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.0 secs Computing kpt #: 181 total cpu time spent up to now is 125.6 secs Computing kpt #: 182 total cpu time spent up to now is 126.1 secs Computing kpt #: 183 total cpu time spent up to now is 126.7 secs Computing kpt #: 184 total cpu time spent up to now is 127.1 secs Computing kpt #: 185 total cpu time spent up to now is 127.6 secs Computing kpt #: 186 total cpu time spent up to now is 128.1 secs Computing kpt #: 187 total cpu time spent up to now is 128.6 secs Computing kpt #: 188 total cpu time spent up to now is 129.1 secs Computing kpt #: 189 total cpu time spent up to now is 129.6 secs Computing kpt #: 190 total cpu time spent up to now is 130.1 secs Computing kpt #: 191 total cpu time spent up to now is 130.5 secs Computing kpt #: 192 total cpu time spent up to now is 131.0 secs Computing kpt #: 193 total cpu time spent up to now is 131.4 secs Computing kpt #: 194 total cpu time spent up to now is 131.9 secs Computing kpt #: 195 total cpu time spent up to now is 132.3 secs Computing kpt #: 196 total cpu time spent up to now is 132.8 secs Computing kpt #: 197 total cpu time spent up to now is 133.2 secs Computing kpt #: 198 total cpu time spent up to now is 133.6 secs Computing kpt #: 199 total cpu time spent up to now is 134.1 secs Computing kpt #: 200 total cpu time spent up to now is 134.5 secs Computing kpt #: 201 total cpu time spent up to now is 134.9 secs Computing kpt #: 202 total cpu time spent up to now is 135.4 secs Computing kpt #: 203 total cpu time spent up to now is 135.9 secs Computing kpt #: 204 total cpu time spent up to now is 136.3 secs Computing kpt #: 205 total cpu time spent up to now is 136.8 secs Computing kpt #: 206 total cpu time spent up to now is 137.2 secs Computing kpt #: 207 total cpu time spent up to now is 137.7 secs Computing kpt #: 208 total cpu time spent up to now is 138.2 secs Computing kpt #: 209 total cpu time spent up to now is 138.7 secs Computing kpt #: 210 total cpu time spent up to now is 139.2 secs Computing kpt #: 211 total cpu time spent up to now is 139.7 secs Computing kpt #: 212 total cpu time spent up to now is 140.3 secs Computing kpt #: 213 total cpu time spent up to now is 140.8 secs Computing kpt #: 214 total cpu time spent up to now is 141.4 secs Computing kpt #: 215 total cpu time spent up to now is 142.0 secs Computing kpt #: 216 total cpu time spent up to now is 142.6 secs Computing kpt #: 217 total cpu time spent up to now is 143.2 secs Computing kpt #: 218 total cpu time spent up to now is 143.8 secs Computing kpt #: 219 total cpu time spent up to now is 144.6 secs Computing kpt #: 220 total cpu time spent up to now is 145.3 secs Computing kpt #: 221 total cpu time spent up to now is 146.1 secs Computing kpt #: 222 total cpu time spent up to now is 146.9 secs Computing kpt #: 223 total cpu time spent up to now is 147.8 secs Computing kpt #: 224 total cpu time spent up to now is 148.7 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 149.7 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 150.8 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 151.8 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.8 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 153.9 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.9 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 155.9 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.9 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.9 secs Computing kpt #: 234 total cpu time spent up to now is 158.6 secs Computing kpt #: 235 total cpu time spent up to now is 159.2 secs Computing kpt #: 236 total cpu time spent up to now is 159.9 secs Computing kpt #: 237 total cpu time spent up to now is 160.6 secs Computing kpt #: 238 total cpu time spent up to now is 161.2 secs Computing kpt #: 239 total cpu time spent up to now is 161.7 secs Computing kpt #: 240 total cpu time spent up to now is 162.2 secs Computing kpt #: 241 total cpu time spent up to now is 162.7 secs Computing kpt #: 242 total cpu time spent up to now is 163.1 secs Computing kpt #: 243 total cpu time spent up to now is 163.6 secs Computing kpt #: 244 total cpu time spent up to now is 164.0 secs Computing kpt #: 245 total cpu time spent up to now is 164.5 secs Computing kpt #: 246 total cpu time spent up to now is 164.9 secs Computing kpt #: 247 total cpu time spent up to now is 165.3 secs Computing kpt #: 248 total cpu time spent up to now is 165.7 secs Computing kpt #: 249 total cpu time spent up to now is 166.2 secs Computing kpt #: 250 total cpu time spent up to now is 166.6 secs Computing kpt #: 251 total cpu time spent up to now is 167.0 secs Computing kpt #: 252 total cpu time spent up to now is 167.5 secs Computing kpt #: 253 total cpu time spent up to now is 167.9 secs Computing kpt #: 254 total cpu time spent up to now is 168.4 secs Computing kpt #: 255 total cpu time spent up to now is 168.9 secs Computing kpt #: 256 total cpu time spent up to now is 169.4 secs Computing kpt #: 257 total cpu time spent up to now is 169.9 secs Computing kpt #: 258 total cpu time spent up to now is 170.5 secs Computing kpt #: 259 total cpu time spent up to now is 171.0 secs Computing kpt #: 260 total cpu time spent up to now is 171.7 secs Computing kpt #: 261 total cpu time spent up to now is 172.3 secs Computing kpt #: 262 total cpu time spent up to now is 173.0 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.0 secs Computing kpt #: 264 total cpu time spent up to now is 174.9 secs Computing kpt #: 265 total cpu time spent up to now is 175.7 secs Computing kpt #: 266 total cpu time spent up to now is 176.4 secs Computing kpt #: 267 total cpu time spent up to now is 177.1 secs Computing kpt #: 268 total cpu time spent up to now is 177.8 secs Computing kpt #: 269 total cpu time spent up to now is 178.4 secs Computing kpt #: 270 total cpu time spent up to now is 179.1 secs Computing kpt #: 271 total cpu time spent up to now is 179.7 secs Computing kpt #: 272 total cpu time spent up to now is 180.4 secs Computing kpt #: 273 total cpu time spent up to now is 181.0 secs Computing kpt #: 274 total cpu time spent up to now is 181.7 secs Computing kpt #: 275 total cpu time spent up to now is 182.3 secs Computing kpt #: 276 total cpu time spent up to now is 183.3 secs Computing kpt #: 277 total cpu time spent up to now is 183.9 secs Computing kpt #: 278 total cpu time spent up to now is 184.5 secs Computing kpt #: 279 total cpu time spent up to now is 185.1 secs Computing kpt #: 280 total cpu time spent up to now is 185.5 secs Computing kpt #: 281 total cpu time spent up to now is 186.3 secs Computing kpt #: 282 total cpu time spent up to now is 186.8 secs Computing kpt #: 283 total cpu time spent up to now is 187.5 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.4 secs Computing kpt #: 285 total cpu time spent up to now is 189.3 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 190.2 secs Computing kpt #: 287 total cpu time spent up to now is 190.6 secs Computing kpt #: 288 total cpu time spent up to now is 191.1 secs Computing kpt #: 289 total cpu time spent up to now is 191.5 secs Computing kpt #: 290 total cpu time spent up to now is 192.0 secs Computing kpt #: 291 total cpu time spent up to now is 192.4 secs Computing kpt #: 292 total cpu time spent up to now is 192.9 secs Computing kpt #: 293 total cpu time spent up to now is 193.3 secs Computing kpt #: 294 total cpu time spent up to now is 193.7 secs Computing kpt #: 295 total cpu time spent up to now is 194.1 secs Computing kpt #: 296 total cpu time spent up to now is 194.6 secs Computing kpt #: 297 total cpu time spent up to now is 195.0 secs Computing kpt #: 298 total cpu time spent up to now is 195.4 secs Computing kpt #: 299 total cpu time spent up to now is 195.8 secs Computing kpt #: 300 total cpu time spent up to now is 196.2 secs Computing kpt #: 301 total cpu time spent up to now is 196.7 secs Computing kpt #: 302 total cpu time spent up to now is 197.1 secs Computing kpt #: 303 total cpu time spent up to now is 197.5 secs Computing kpt #: 304 total cpu time spent up to now is 197.9 secs Computing kpt #: 305 total cpu time spent up to now is 198.3 secs Computing kpt #: 306 total cpu time spent up to now is 198.8 secs Computing kpt #: 307 total cpu time spent up to now is 199.2 secs Computing kpt #: 308 total cpu time spent up to now is 199.6 secs Computing kpt #: 309 total cpu time spent up to now is 200.0 secs Computing kpt #: 310 total cpu time spent up to now is 200.5 secs Computing kpt #: 311 total cpu time spent up to now is 201.0 secs Computing kpt #: 312 total cpu time spent up to now is 201.5 secs Computing kpt #: 313 total cpu time spent up to now is 202.0 secs Computing kpt #: 314 total cpu time spent up to now is 202.6 secs Computing kpt #: 315 total cpu time spent up to now is 203.1 secs Computing kpt #: 316 total cpu time spent up to now is 203.6 secs Computing kpt #: 317 total cpu time spent up to now is 204.1 secs Computing kpt #: 318 total cpu time spent up to now is 204.6 secs Computing kpt #: 319 total cpu time spent up to now is 205.1 secs Computing kpt #: 320 total cpu time spent up to now is 205.6 secs Computing kpt #: 321 total cpu time spent up to now is 206.1 secs Computing kpt #: 322 total cpu time spent up to now is 206.6 secs Computing kpt #: 323 total cpu time spent up to now is 207.1 secs Computing kpt #: 324 total cpu time spent up to now is 207.7 secs Computing kpt #: 325 total cpu time spent up to now is 208.2 secs Computing kpt #: 326 total cpu time spent up to now is 208.8 secs Computing kpt #: 327 total cpu time spent up to now is 209.4 secs Computing kpt #: 328 total cpu time spent up to now is 210.1 secs Computing kpt #: 329 total cpu time spent up to now is 211.0 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.0 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.1 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.1 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.1 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.2 secs ethr = 3.33E-08, avg # of iterations = 62.6 total cpu time spent up to now is 216.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -34.1251 -34.1251 -34.0923 -34.0923 -15.4461 -15.4461 -15.3053 -15.3053 -15.0729 -15.0729 -14.9435 -14.9435 -14.9419 -14.9419 -14.8988 -14.8988 -9.7381 -9.7381 0.8012 0.8012 1.1040 1.1040 3.0479 3.0479 3.3970 3.3970 4.2041 4.2041 7.2727 7.2727 9.4473 9.4473 9.5295 9.5295 9.5345 9.5345 9.6863 9.6864 k = 0.0106 0.0061-0.0000 ( 3727 PWs) bands (ev): -34.1251 -34.1251 -34.0923 -34.0923 -15.4460 -15.4460 -15.3054 -15.3054 -15.0729 -15.0729 -14.9445 -14.9445 -14.9411 -14.9411 -14.8989 -14.8989 -9.7378 -9.7378 0.8024 0.8024 1.1049 1.1049 3.0462 3.0462 3.3950 3.3950 4.2035 4.2035 7.2679 7.2679 9.4480 9.4480 9.5296 9.5296 9.5345 9.5345 9.6883 9.6898 k = 0.0213 0.0123-0.0000 ( 3737 PWs) bands (ev): -34.1251 -34.1251 -34.0923 -34.0923 -15.4460 -15.4460 -15.3057 -15.3057 -15.0730 -15.0730 -14.9461 -14.9461 -14.9400 -14.9400 -14.8993 -14.8993 -9.7369 -9.7369 0.8057 0.8057 1.1076 1.1076 3.0410 3.0410 3.3893 3.3893 4.2014 4.2014 7.2535 7.2535 9.4505 9.4505 9.5302 9.5302 9.5349 9.5349 9.6928 9.6928 k = 0.0319 0.0184-0.0000 ( 3737 PWs) bands (ev): -34.1250 -34.1250 -34.0923 -34.0923 -15.4458 -15.4458 -15.3061 -15.3061 -15.0731 -15.0731 -14.9478 -14.9478 -14.9389 -14.9389 -14.8998 -14.8998 -9.7353 -9.7353 0.8112 0.8112 1.1119 1.1119 3.0323 3.0323 3.3799 3.3799 4.1981 4.1981 7.2299 7.2299 9.4562 9.4562 9.5316 9.5316 9.5361 9.5361 9.7000 9.7000 k = 0.0426 0.0246-0.0000 ( 3729 PWs) bands (ev): -34.1248 -34.1248 -34.0922 -34.0922 -15.4456 -15.4456 -15.3067 -15.3067 -15.0732 -15.0732 -14.9497 -14.9497 -14.9379 -14.9379 -14.9005 -14.9005 -9.7331 -9.7331 0.8189 0.8189 1.1180 1.1180 3.0200 3.0200 3.3673 3.3673 4.1934 4.1934 7.1972 7.1972 9.4664 9.4664 9.5341 9.5341 9.5388 9.5388 9.7099 9.7099 k = 0.0532 0.0307-0.0000 ( 3729 PWs) bands (ev): -34.1246 -34.1246 -34.0922 -34.0922 -15.4454 -15.4454 -15.3075 -15.3075 -15.0734 -15.0734 -14.9518 -14.9518 -14.9371 -14.9371 -14.9014 -14.9014 -9.7304 -9.7304 0.8288 0.8288 1.1259 1.1259 3.0038 3.0038 3.3519 3.3519 4.1874 4.1874 7.1560 7.1560 9.4823 9.4823 9.5371 9.5371 9.5436 9.5436 9.7224 9.7225 k = 0.0638 0.0369-0.0000 ( 3721 PWs) bands (ev): -34.1244 -34.1244 -34.0922 -34.0922 -15.4451 -15.4451 -15.3085 -15.3085 -15.0736 -15.0736 -14.9539 -14.9539 -14.9364 -14.9364 -14.9024 -14.9024 -9.7270 -9.7270 0.8407 0.8407 1.1353 1.1353 2.9836 2.9836 3.3344 3.3344 4.1802 4.1802 7.1068 7.1068 9.5042 9.5042 9.5405 9.5405 9.5513 9.5513 9.7376 9.7376 k = 0.0745 0.0430-0.0000 ( 3731 PWs) bands (ev): -34.1242 -34.1242 -34.0921 -34.0921 -15.4448 -15.4448 -15.3096 -15.3096 -15.0738 -15.0738 -14.9562 -14.9562 -14.9359 -14.9359 -14.9037 -14.9037 -9.7231 -9.7231 0.8547 0.8547 1.1465 1.1465 2.9592 2.9592 3.3152 3.3152 4.1718 4.1718 7.0504 7.0504 9.5305 9.5305 9.5446 9.5446 9.5629 9.5629 9.7552 9.7557 k = 0.0851 0.0491-0.0000 ( 3731 PWs) bands (ev): -34.1239 -34.1239 -34.0921 -34.0921 -15.4444 -15.4444 -15.3109 -15.3109 -15.0741 -15.0741 -14.9585 -14.9585 -14.9356 -14.9356 -14.9050 -14.9050 -9.7186 -9.7186 0.8706 0.8706 1.1592 1.1592 2.9307 2.9307 3.2950 3.2950 4.1623 4.1623 6.9874 6.9874 9.5487 9.5487 9.5563 9.5563 9.5835 9.5835 9.7752 9.7755 k = 0.0957 0.0553-0.0000 ( 3727 PWs) bands (ev): -34.1235 -34.1235 -34.0920 -34.0920 -15.4440 -15.4440 -15.3124 -15.3124 -15.0744 -15.0744 -14.9610 -14.9610 -14.9354 -14.9354 -14.9065 -14.9065 -9.7135 -9.7135 0.8884 0.8884 1.1734 1.1734 2.8980 2.8980 3.2742 3.2742 4.1517 4.1517 6.9186 6.9186 9.5547 9.5547 9.5737 9.5737 9.6175 9.6175 9.7974 9.7975 k = 0.1064 0.0614-0.0000 ( 3731 PWs) bands (ev): -34.1232 -34.1232 -34.0920 -34.0920 -15.4435 -15.4435 -15.3140 -15.3140 -15.0747 -15.0747 -14.9636 -14.9636 -14.9354 -14.9354 -14.9080 -14.9080 -9.7080 -9.7080 0.9080 0.9080 1.1892 1.1892 2.8615 2.8615 3.2532 3.2532 4.1400 4.1400 6.8448 6.8448 9.5614 9.5614 9.5890 9.5890 9.6570 9.6570 9.8227 9.8235 k = 0.1170 0.0676-0.0000 ( 3723 PWs) bands (ev): -34.1228 -34.1228 -34.0919 -34.0919 -15.4430 -15.4430 -15.3158 -15.3158 -15.0751 -15.0751 -14.9662 -14.9662 -14.9357 -14.9357 -14.9096 -14.9096 -9.7019 -9.7019 0.9292 0.9292 1.2064 1.2064 2.8213 2.8213 3.2323 3.2323 4.1274 4.1274 6.7667 6.7667 9.5690 9.5690 9.6046 9.6046 9.6948 9.6948 9.8459 9.8459 k = 0.1277 0.0737-0.0000 ( 3727 PWs) bands (ev): -34.1224 -34.1224 -34.0918 -34.0918 -15.4425 -15.4425 -15.3177 -15.3177 -15.0755 -15.0755 -14.9689 -14.9689 -14.9361 -14.9361 -14.9113 -14.9113 -9.6954 -9.6954 0.9519 0.9519 1.2249 1.2249 2.7780 2.7780 3.2116 3.2116 4.1138 4.1138 6.6851 6.6851 9.5776 9.5776 9.6211 9.6211 9.7250 9.7250 9.8726 9.8727 k = 0.1383 0.0798-0.0000 ( 3723 PWs) bands (ev): -34.1219 -34.1219 -34.0918 -34.0918 -15.4420 -15.4420 -15.3198 -15.3198 -15.0758 -15.0758 -14.9717 -14.9717 -14.9368 -14.9368 -14.9129 -14.9129 -9.6884 -9.6884 0.9759 0.9759 1.2448 1.2448 2.7321 2.7321 3.1913 3.1913 4.0995 4.0995 6.6004 6.6004 9.5873 9.5873 9.6385 9.6385 9.7448 9.7448 9.9056 9.9064 k = 0.1489 0.0860-0.0000 ( 3721 PWs) bands (ev): -34.1214 -34.1214 -34.0917 -34.0917 -15.4415 -15.4415 -15.3220 -15.3220 -15.0762 -15.0762 -14.9746 -14.9746 -14.9377 -14.9377 -14.9144 -14.9144 -9.6810 -9.6810 1.0009 1.0009 1.2658 1.2658 2.6844 2.6844 3.1712 3.1712 4.0844 4.0844 6.5134 6.5134 9.5979 9.5979 9.6563 9.6563 9.7563 9.7563 9.9402 9.9408 k = 0.1596 0.0921-0.0000 ( 3717 PWs) bands (ev): -34.1209 -34.1209 -34.0917 -34.0917 -15.4409 -15.4409 -15.3244 -15.3244 -15.0766 -15.0766 -14.9775 -14.9775 -14.9388 -14.9388 -14.9160 -14.9160 -9.6732 -9.6732 1.0268 1.0268 1.2881 1.2881 2.6355 2.6355 3.1515 3.1515 4.0686 4.0686 6.4244 6.4244 9.6094 9.6094 9.6743 9.6743 9.7634 9.7634 9.9754 9.9756 k = 0.1702 0.0983-0.0000 ( 3719 PWs) bands (ev): -34.1204 -34.1204 -34.0916 -34.0916 -15.4404 -15.4404 -15.3268 -15.3268 -15.0770 -15.0770 -14.9805 -14.9805 -14.9402 -14.9402 -14.9174 -14.9174 -9.6650 -9.6650 1.0531 1.0531 1.3114 1.3114 2.5861 2.5861 3.1320 3.1320 4.0521 4.0521 6.3340 6.3340 9.6217 9.6217 9.6913 9.6913 9.7691 9.7691 10.0099 10.0103 k = 0.1809 0.1044-0.0000 ( 3715 PWs) bands (ev): -34.1198 -34.1198 -34.0915 -34.0915 -15.4398 -15.4398 -15.3294 -15.3294 -15.0774 -15.0774 -14.9835 -14.9835 -14.9418 -14.9418 -14.9187 -14.9187 -9.6565 -9.6565 1.0795 1.0795 1.3357 1.3357 2.5370 2.5370 3.1128 3.1128 4.0352 4.0352 6.2425 6.2425 9.6350 9.6350 9.7058 9.7058 9.7761 9.7761 10.0320 10.0320 k = 0.1915 0.1106-0.0000 ( 3719 PWs) bands (ev): -34.1192 -34.1192 -34.0915 -34.0915 -15.4393 -15.4393 -15.3322 -15.3322 -15.0778 -15.0778 -14.9866 -14.9866 -14.9436 -14.9436 -14.9200 -14.9200 -9.6478 -9.6478 1.1055 1.1055 1.3610 1.3610 2.4891 2.4891 3.0939 3.0939 4.0178 4.0178 6.1503 6.1503 9.6489 9.6489 9.7160 9.7160 9.7864 9.7864 10.0420 10.0420 k = 0.2021 0.1167-0.0000 ( 3717 PWs) bands (ev): -34.1186 -34.1186 -34.0914 -34.0914 -15.4387 -15.4387 -15.3350 -15.3350 -15.0782 -15.0782 -14.9897 -14.9897 -14.9455 -14.9455 -14.9212 -14.9212 -9.6388 -9.6388 1.1306 1.1306 1.3872 1.3872 2.4432 2.4432 3.0752 3.0752 3.9999 3.9999 6.0577 6.0577 9.6636 9.6636 9.7215 9.7215 9.8004 9.8004 10.0452 10.0453 k = 0.2128 0.1228-0.0000 ( 3720 PWs) bands (ev): -34.1180 -34.1180 -34.0914 -34.0914 -15.4382 -15.4382 -15.3379 -15.3379 -15.0785 -15.0785 -14.9928 -14.9928 -14.9476 -14.9476 -14.9223 -14.9223 -9.6296 -9.6296 1.1542 1.1542 1.4142 1.4142 2.4002 2.4002 3.0567 3.0567 3.9818 3.9818 5.9649 5.9649 9.6788 9.6788 9.7231 9.7231 9.8162 9.8162 10.0455 10.0455 k = 0.2234 0.1290-0.0000 ( 3726 PWs) bands (ev): -34.1173 -34.1173 -34.0913 -34.0913 -15.4377 -15.4377 -15.3409 -15.3409 -15.0789 -15.0789 -14.9959 -14.9959 -14.9499 -14.9499 -14.9233 -14.9233 -9.6202 -9.6202 1.1756 1.1756 1.4419 1.4419 2.3611 2.3611 3.0385 3.0385 3.9634 3.9634 5.8721 5.8721 9.6945 9.6945 9.7222 9.7222 9.8314 9.8314 10.0462 10.0462 k = 0.2340 0.1351-0.0000 ( 3726 PWs) bands (ev): -34.1167 -34.1167 -34.0913 -34.0913 -15.4371 -15.4371 -15.3440 -15.3440 -15.0792 -15.0792 -14.9990 -14.9990 -14.9522 -14.9522 -14.9243 -14.9243 -9.6107 -9.6107 1.1941 1.1941 1.4702 1.4702 2.3267 2.3267 3.0206 3.0206 3.9448 3.9448 5.7796 5.7796 9.7103 9.7103 9.7198 9.7198 9.8436 9.8436 10.0504 10.0504 k = 0.2447 0.1413-0.0000 ( 3722 PWs) bands (ev): -34.1160 -34.1160 -34.0913 -34.0913 -15.4366 -15.4366 -15.3471 -15.3471 -15.0794 -15.0794 -15.0022 -15.0022 -14.9544 -14.9544 -14.9253 -14.9253 -9.6011 -9.6011 1.2089 1.2089 1.4989 1.4989 2.2981 2.2981 3.0030 3.0030 3.9261 3.9261 5.6876 5.6876 9.7139 9.7139 9.7281 9.7281 9.8512 9.8512 10.0604 10.0604 k = 0.2553 0.1474-0.0000 ( 3718 PWs) bands (ev): -34.1153 -34.1153 -34.0912 -34.0912 -15.4361 -15.4361 -15.3503 -15.3503 -15.0797 -15.0797 -15.0052 -15.0052 -14.9567 -14.9567 -14.9263 -14.9263 -9.5915 -9.5915 1.2194 1.2194 1.5279 1.5279 2.2763 2.2763 2.9858 2.9858 3.9073 3.9073 5.5962 5.5962 9.7077 9.7077 9.7446 9.7446 9.8544 9.8544 10.0770 10.0770 k = 0.2660 0.1536-0.0000 ( 3720 PWs) bands (ev): -34.1146 -34.1146 -34.0912 -34.0912 -15.4357 -15.4357 -15.3535 -15.3535 -15.0799 -15.0799 -15.0083 -15.0083 -14.9590 -14.9590 -14.9272 -14.9272 -9.5819 -9.5819 1.2250 1.2250 1.5569 1.5569 2.2620 2.2620 2.9689 2.9689 3.8885 3.8885 5.5055 5.5055 9.6993 9.6993 9.7615 9.7615 9.8541 9.8541 10.0993 10.0993 k = 0.2766 0.1597-0.0000 ( 3722 PWs) bands (ev): -34.1139 -34.1139 -34.0912 -34.0912 -15.4352 -15.4352 -15.3568 -15.3568 -15.0800 -15.0800 -15.0114 -15.0114 -14.9613 -14.9613 -14.9281 -14.9281 -9.5723 -9.5723 1.2254 1.2254 1.5857 1.5857 2.2558 2.2558 2.9525 2.9525 3.8697 3.8697 5.4157 5.4157 9.6886 9.6886 9.7784 9.7784 9.8523 9.8523 10.1259 10.1259 k = 0.2872 0.1658-0.0000 ( 3726 PWs) bands (ev): -34.1132 -34.1132 -34.0912 -34.0912 -15.4348 -15.4348 -15.3600 -15.3600 -15.0801 -15.0801 -15.0144 -15.0144 -14.9635 -14.9635 -14.9291 -14.9291 -9.5628 -9.5628 1.2207 1.2207 1.6140 1.6140 2.2580 2.2580 2.9366 2.9366 3.8510 3.8510 5.3268 5.3268 9.6756 9.6756 9.7952 9.7952 9.8505 9.8505 10.1551 10.1551 k = 0.2979 0.1720-0.0000 ( 3730 PWs) bands (ev): -34.1125 -34.1125 -34.0912 -34.0912 -15.4344 -15.4344 -15.3633 -15.3633 -15.0802 -15.0802 -15.0174 -15.0174 -14.9656 -14.9656 -14.9300 -14.9300 -9.5534 -9.5534 1.2109 1.2109 1.6417 1.6417 2.2684 2.2684 2.9212 2.9212 3.8323 3.8323 5.2391 5.2391 9.6605 9.6605 9.8118 9.8118 9.8497 9.8497 10.1854 10.1854 k = 0.3085 0.1781-0.0000 ( 3722 PWs) bands (ev): -34.1118 -34.1118 -34.0913 -34.0913 -15.4339 -15.4339 -15.3666 -15.3666 -15.0801 -15.0801 -15.0204 -15.0204 -14.9676 -14.9676 -14.9309 -14.9309 -9.5442 -9.5442 1.1967 1.1967 1.6685 1.6685 2.2868 2.2868 2.9065 2.9065 3.8138 3.8138 5.1526 5.1526 9.6436 9.6436 9.8281 9.8281 9.8502 9.8502 10.2154 10.2154 k = 0.3191 0.1843-0.0000 ( 3722 PWs) bands (ev): -34.1111 -34.1111 -34.0913 -34.0913 -15.4335 -15.4335 -15.3698 -15.3698 -15.0801 -15.0801 -15.0233 -15.0233 -14.9695 -14.9695 -14.9318 -14.9318 -9.5352 -9.5352 1.1788 1.1788 1.6944 1.6944 2.3124 2.3124 2.8923 2.8923 3.7953 3.7953 5.0674 5.0674 9.6254 9.6254 9.8434 9.8434 9.8527 9.8527 10.2434 10.2434 k = 0.3298 0.1904-0.0000 ( 3714 PWs) bands (ev): -34.1105 -34.1105 -34.0914 -34.0914 -15.4331 -15.4331 -15.3730 -15.3730 -15.0799 -15.0799 -15.0261 -15.0261 -14.9714 -14.9714 -14.9326 -14.9326 -9.5264 -9.5264 1.1579 1.1579 1.7192 1.7192 2.3446 2.3446 2.8789 2.8789 3.7769 3.7769 4.9838 4.9838 9.6064 9.6064 9.8534 9.8534 9.8613 9.8613 10.2682 10.2682 k = 0.3404 0.1965-0.0000 ( 3714 PWs) bands (ev): -34.1098 -34.1098 -34.0914 -34.0914 -15.4327 -15.4327 -15.3762 -15.3762 -15.0797 -15.0797 -15.0288 -15.0288 -14.9731 -14.9731 -14.9335 -14.9335 -9.5180 -9.5180 1.1348 1.1348 1.7428 1.7428 2.3824 2.3824 2.8662 2.8662 3.7584 3.7584 4.9019 4.9019 9.5870 9.5870 9.8585 9.8585 9.8755 9.8755 10.2880 10.2880 k = 0.3511 0.2027-0.0000 ( 3720 PWs) bands (ev): -34.1091 -34.1091 -34.0915 -34.0915 -15.4323 -15.4323 -15.3793 -15.3793 -15.0795 -15.0795 -15.0315 -15.0315 -14.9747 -14.9747 -14.9344 -14.9344 -9.5099 -9.5099 1.1105 1.1105 1.7651 1.7651 2.4250 2.4250 2.8544 2.8544 3.7399 3.7399 4.8218 4.8218 9.5676 9.5676 9.8638 9.8638 9.8896 9.8896 10.3018 10.3018 k = 0.3617 0.2088-0.0000 ( 3722 PWs) bands (ev): -34.1085 -34.1085 -34.0916 -34.0916 -15.4319 -15.4319 -15.3823 -15.3823 -15.0792 -15.0792 -15.0341 -15.0341 -14.9761 -14.9761 -14.9352 -14.9352 -9.5022 -9.5022 1.0854 1.0854 1.7862 1.7862 2.4715 2.4715 2.8435 2.8435 3.7211 3.7211 4.7438 4.7438 9.5486 9.5486 9.8697 9.8697 9.9031 9.9031 10.3091 10.3091 k = 0.3723 0.2150-0.0000 ( 3708 PWs) bands (ev): -34.1079 -34.1079 -34.0917 -34.0917 -15.4314 -15.4314 -15.3852 -15.3852 -15.0788 -15.0788 -15.0366 -15.0366 -14.9775 -14.9775 -14.9359 -14.9359 -9.4948 -9.4948 1.0603 1.0603 1.8060 1.8060 2.5211 2.5211 2.8337 2.8337 3.7020 3.7020 4.6683 4.6683 9.5304 9.5304 9.8761 9.8761 9.9159 9.9159 10.3103 10.3103 k = 0.3830 0.2211-0.0000 ( 3712 PWs) bands (ev): -34.1073 -34.1073 -34.0918 -34.0918 -15.4310 -15.4310 -15.3880 -15.3880 -15.0784 -15.0784 -15.0390 -15.0390 -14.9787 -14.9787 -14.9367 -14.9367 -9.4880 -9.4880 1.0358 1.0358 1.8244 1.8244 2.5730 2.5730 2.8253 2.8253 3.6823 3.6823 4.5955 4.5955 9.5130 9.5130 9.8826 9.8826 9.9279 9.9279 10.3063 10.3063 k = 0.3936 0.2273-0.0000 ( 3712 PWs) bands (ev): -34.1067 -34.1067 -34.0919 -34.0919 -15.4305 -15.4305 -15.3907 -15.3907 -15.0779 -15.0779 -15.0413 -15.0413 -14.9798 -14.9798 -14.9374 -14.9374 -9.4816 -9.4816 1.0121 1.0121 1.8413 1.8413 2.6260 2.6260 2.8188 2.8188 3.6617 3.6617 4.5259 4.5259 9.4967 9.4967 9.8893 9.8893 9.9389 9.9389 10.2983 10.2983 k = 0.4043 0.2334-0.0000 ( 3714 PWs) bands (ev): -34.1062 -34.1062 -34.0920 -34.0920 -15.4300 -15.4300 -15.3933 -15.3933 -15.0774 -15.0774 -15.0435 -15.0435 -14.9808 -14.9808 -14.9381 -14.9381 -9.4757 -9.4757 0.9898 0.9898 1.8568 1.8568 2.6779 2.6779 2.8157 2.8157 3.6400 3.6400 4.4601 4.4601 9.4816 9.4816 9.8958 9.8958 9.9491 9.9491 10.2878 10.2878 k = 0.4149 0.2395-0.0000 ( 3720 PWs) bands (ev): -34.1057 -34.1057 -34.0922 -34.0922 -15.4295 -15.4295 -15.3957 -15.3957 -15.0768 -15.0768 -15.0456 -15.0456 -14.9817 -14.9817 -14.9387 -14.9387 -9.4703 -9.4703 0.9691 0.9691 1.8708 1.8708 2.7236 2.7236 2.8208 2.8208 3.6167 3.6167 4.3986 4.3986 9.4680 9.4680 9.9022 9.9022 9.9582 9.9582 10.2757 10.2757 k = 0.4255 0.2457-0.0000 ( 3716 PWs) bands (ev): -34.1052 -34.1052 -34.0923 -34.0923 -15.4290 -15.4290 -15.3979 -15.3979 -15.0762 -15.0762 -15.0475 -15.0475 -14.9824 -14.9824 -14.9393 -14.9393 -9.4655 -9.4655 0.9504 0.9504 1.8832 1.8832 2.7520 2.7520 2.8445 2.8445 3.5916 3.5916 4.3421 4.3421 9.4558 9.4558 9.9082 9.9082 9.9664 9.9664 10.2633 10.2633 k = 0.4362 0.2518-0.0000 ( 3716 PWs) bands (ev): -34.1048 -34.1048 -34.0924 -34.0924 -15.4284 -15.4284 -15.4000 -15.4000 -15.0756 -15.0756 -15.0493 -15.0493 -14.9831 -14.9831 -14.9398 -14.9398 -9.4613 -9.4613 0.9337 0.9337 1.8940 1.8940 2.7613 2.7613 2.8880 2.8880 3.5644 3.5644 4.2914 4.2914 9.4451 9.4451 9.9137 9.9137 9.9735 9.9735 10.2512 10.2512 k = 0.4468 0.2580-0.0000 ( 3728 PWs) bands (ev): -34.1044 -34.1044 -34.0925 -34.0925 -15.4279 -15.4279 -15.4019 -15.4019 -15.0750 -15.0750 -15.0509 -15.0509 -14.9837 -14.9837 -14.9402 -14.9402 -9.4577 -9.4577 0.9193 0.9193 1.9032 1.9032 2.7624 2.7624 2.9393 2.9393 3.5351 3.5351 4.2472 4.2472 9.4361 9.4361 9.9186 9.9186 9.9795 9.9795 10.2399 10.2399 k = 0.4574 0.2641-0.0000 ( 3732 PWs) bands (ev): -34.1041 -34.1041 -34.0926 -34.0926 -15.4274 -15.4274 -15.4034 -15.4034 -15.0745 -15.0745 -15.0523 -15.0523 -14.9841 -14.9841 -14.9406 -14.9406 -9.4548 -9.4548 0.9074 0.9074 1.9108 1.9108 2.7614 2.7614 2.9914 2.9914 3.5040 3.5040 4.2102 4.2102 9.4286 9.4286 9.9229 9.9229 9.9845 9.9845 10.2301 10.2301 k = 0.4681 0.2702-0.0000 ( 3726 PWs) bands (ev): -34.1039 -34.1039 -34.0927 -34.0927 -15.4270 -15.4270 -15.4047 -15.4047 -15.0740 -15.0740 -15.0534 -15.0534 -14.9845 -14.9845 -14.9408 -14.9408 -9.4525 -9.4525 0.8980 0.8980 1.9167 1.9167 2.7598 2.7598 3.0407 3.0407 3.4725 3.4725 4.1809 4.1809 9.4229 9.4229 9.9264 9.9264 9.9884 9.9884 10.2221 10.2221 k = 0.4787 0.2764-0.0000 ( 3722 PWs) bands (ev): -34.1037 -34.1037 -34.0927 -34.0927 -15.4266 -15.4266 -15.4057 -15.4057 -15.0736 -15.0736 -15.0542 -15.0542 -14.9847 -14.9847 -14.9410 -14.9410 -9.4508 -9.4508 0.8913 0.8913 1.9209 1.9209 2.7585 2.7585 3.0832 3.0832 3.4430 3.4430 4.1598 4.1598 9.4188 9.4188 9.9289 9.9289 9.9911 9.9911 10.2161 10.2161 k = 0.4894 0.2825-0.0000 ( 3726 PWs) bands (ev): -34.1036 -34.1036 -34.0928 -34.0928 -15.4264 -15.4264 -15.4063 -15.4063 -15.0733 -15.0733 -15.0548 -15.0548 -14.9848 -14.9848 -14.9412 -14.9412 -9.4498 -9.4498 0.8872 0.8872 1.9234 1.9234 2.7576 2.7576 3.1137 3.1137 3.4206 3.4206 4.1471 4.1471 9.4162 9.4162 9.9304 9.9304 9.9928 9.9928 10.2125 10.2125 k = 0.5000 0.2887-0.0000 ( 3734 PWs) bands (ev): -34.1036 -34.1036 -34.0928 -34.0928 -15.4263 -15.4263 -15.4065 -15.4065 -15.0732 -15.0732 -15.0550 -15.0550 -14.9849 -14.9849 -14.9412 -14.9412 -9.4495 -9.4495 0.8858 0.8858 1.9243 1.9243 2.7573 2.7573 3.1251 3.1251 3.4119 3.4119 4.1428 4.1428 9.4153 9.4153 9.9310 9.9310 9.9934 9.9934 10.2112 10.2112 k = 0.5000 0.2887-0.0000 ( 3734 PWs) bands (ev): -34.1036 -34.1036 -34.0928 -34.0928 -15.4263 -15.4263 -15.4065 -15.4065 -15.0732 -15.0732 -15.0550 -15.0550 -14.9849 -14.9849 -14.9412 -14.9412 -9.4495 -9.4495 0.8858 0.8858 1.9243 1.9243 2.7573 2.7573 3.1251 3.1251 3.4119 3.4119 4.1428 4.1428 9.4153 9.4153 9.9310 9.9310 9.9934 9.9934 10.2112 10.2112 k = 0.4938 0.2994-0.0000 ( 3736 PWs) bands (ev): -34.1035 -34.1035 -34.0928 -34.0928 -15.4263 -15.4263 -15.4065 -15.4065 -15.0734 -15.0734 -15.0548 -15.0548 -14.9850 -14.9850 -14.9413 -14.9413 -9.4494 -9.4494 0.8867 0.8867 1.9245 1.9245 2.7538 2.7538 3.1264 3.1264 3.4123 3.4123 4.1428 4.1428 9.4142 9.4142 9.9306 9.9306 9.9842 9.9842 10.2230 10.2230 k = 0.4877 0.3101-0.0000 ( 3736 PWs) bands (ev): -34.1035 -34.1035 -34.0928 -34.0928 -15.4263 -15.4263 -15.4065 -15.4065 -15.0737 -15.0737 -15.0545 -15.0545 -14.9851 -14.9851 -14.9415 -14.9415 -9.4490 -9.4490 0.8895 0.8895 1.9250 1.9250 2.7433 2.7433 3.1305 3.1305 3.4134 3.4134 4.1428 4.1428 9.4107 9.4107 9.9293 9.9293 9.9619 9.9619 10.2538 10.2538 k = 0.4815 0.3208-0.0000 ( 3736 PWs) bands (ev): -34.1035 -34.1035 -34.0928 -34.0928 -15.4262 -15.4262 -15.4065 -15.4065 -15.0743 -15.0743 -15.0540 -15.0540 -14.9853 -14.9853 -14.9419 -14.9419 -9.4485 -9.4485 0.8940 0.8940 1.9259 1.9259 2.7263 2.7263 3.1369 3.1369 3.4153 3.4153 4.1427 4.1427 9.4040 9.4040 9.9261 9.9261 9.9357 9.9357 10.2957 10.2957 k = 0.4753 0.3314-0.0000 ( 3740 PWs) bands (ev): -34.1034 -34.1034 -34.0929 -34.0929 -15.4261 -15.4261 -15.4066 -15.4066 -15.0750 -15.0750 -15.0533 -15.0533 -14.9856 -14.9856 -14.9424 -14.9424 -9.4478 -9.4478 0.9004 0.9004 1.9270 1.9270 2.7034 2.7034 3.1454 3.1454 3.4179 3.4179 4.1425 4.1425 9.3933 9.3933 9.9075 9.9075 9.9248 9.9248 10.3441 10.3441 k = 0.4691 0.3421-0.0000 ( 3744 PWs) bands (ev): -34.1033 -34.1033 -34.0929 -34.0929 -15.4260 -15.4260 -15.4066 -15.4066 -15.0759 -15.0759 -15.0524 -15.0524 -14.9860 -14.9860 -14.9430 -14.9430 -9.4469 -9.4469 0.9085 0.9085 1.9285 1.9285 2.6752 2.6752 3.1555 3.1555 3.4213 3.4213 4.1419 4.1419 9.3776 9.3776 9.8860 9.8860 9.9193 9.9193 10.3968 10.3968 k = 0.4630 0.3528-0.0000 ( 3740 PWs) bands (ev): -34.1031 -34.1031 -34.0929 -34.0929 -15.4258 -15.4258 -15.4066 -15.4066 -15.0769 -15.0769 -15.0515 -15.0515 -14.9865 -14.9865 -14.9437 -14.9437 -9.4458 -9.4458 0.9184 0.9184 1.9301 1.9301 2.6422 2.6422 3.1671 3.1671 3.4255 3.4255 4.1409 4.1409 9.3566 9.3566 9.8702 9.8702 9.9117 9.9117 10.4529 10.4529 k = 0.4568 0.3635-0.0000 ( 3734 PWs) bands (ev): -34.1030 -34.1030 -34.0930 -34.0930 -15.4257 -15.4257 -15.4066 -15.4066 -15.0780 -15.0780 -15.0504 -15.0504 -14.9870 -14.9870 -14.9445 -14.9445 -9.4445 -9.4445 0.9301 0.9301 1.9320 1.9320 2.6052 2.6052 3.1799 3.1799 3.4304 3.4304 4.1392 4.1392 9.3304 9.3304 9.8609 9.8609 9.9011 9.9011 10.5119 10.5119 k = 0.4506 0.3742-0.0000 ( 3738 PWs) bands (ev): -34.1028 -34.1028 -34.0931 -34.0931 -15.4255 -15.4255 -15.4067 -15.4067 -15.0791 -15.0791 -15.0492 -15.0492 -14.9877 -14.9877 -14.9454 -14.9454 -9.4431 -9.4431 0.9434 0.9434 1.9339 1.9339 2.5647 2.5647 3.1938 3.1938 3.4360 3.4360 4.1366 4.1366 9.2998 9.2998 9.8573 9.8573 9.8866 9.8866 10.5732 10.5733 k = 0.4444 0.3849-0.0000 ( 3738 PWs) bands (ev): -34.1026 -34.1026 -34.0931 -34.0931 -15.4253 -15.4253 -15.4067 -15.4067 -15.0803 -15.0803 -15.0480 -15.0480 -14.9884 -14.9884 -14.9464 -14.9464 -9.4416 -9.4416 0.9585 0.9585 1.9357 1.9357 2.5214 2.5214 3.2088 3.2088 3.4424 3.4424 4.1328 4.1328 9.2661 9.2661 9.8580 9.8580 9.8681 9.8681 10.6337 10.6337 k = 0.4383 0.3956-0.0000 ( 3724 PWs) bands (ev): -34.1024 -34.1024 -34.0932 -34.0932 -15.4250 -15.4250 -15.4068 -15.4068 -15.0816 -15.0816 -15.0467 -15.0467 -14.9892 -14.9892 -14.9474 -14.9474 -9.4399 -9.4399 0.9752 0.9752 1.9374 1.9374 2.4757 2.4757 3.2248 3.2248 3.4494 3.4494 4.1278 4.1278 9.2308 9.2308 9.8420 9.8420 9.8647 9.8647 10.6363 10.6363 k = 0.4321 0.4063-0.0000 ( 3720 PWs) bands (ev): -34.1022 -34.1022 -34.0933 -34.0933 -15.4248 -15.4248 -15.4069 -15.4069 -15.0828 -15.0828 -15.0454 -15.0454 -14.9901 -14.9901 -14.9485 -14.9485 -9.4381 -9.4381 0.9935 0.9935 1.9387 1.9387 2.4283 2.4283 3.2417 3.2417 3.4572 3.4572 4.1211 4.1211 9.1951 9.1951 9.8120 9.8120 9.8722 9.8722 10.6128 10.6128 k = 0.4259 0.4170-0.0000 ( 3718 PWs) bands (ev): -34.1019 -34.1019 -34.0934 -34.0934 -15.4245 -15.4245 -15.4070 -15.4070 -15.0841 -15.0841 -15.0441 -15.0441 -14.9911 -14.9911 -14.9496 -14.9496 -9.4362 -9.4362 1.0134 1.0134 1.9394 1.9394 2.3799 2.3799 3.2597 3.2597 3.4656 3.4656 4.1127 4.1127 9.1603 9.1603 9.7761 9.7761 9.8815 9.8815 10.5967 10.5967 k = 0.4198 0.4277-0.0000 ( 3722 PWs) bands (ev): -34.1016 -34.1016 -34.0936 -34.0936 -15.4242 -15.4242 -15.4072 -15.4072 -15.0853 -15.0853 -15.0427 -15.0427 -14.9922 -14.9922 -14.9508 -14.9508 -9.4342 -9.4342 1.0347 1.0347 1.9390 1.9390 2.3312 2.3312 3.2788 3.2788 3.4746 3.4746 4.1023 4.1023 9.1273 9.1273 9.7350 9.7350 9.8919 9.8919 10.5890 10.5890 k = 0.4136 0.4384-0.0000 ( 3726 PWs) bands (ev): -34.1014 -34.1014 -34.0937 -34.0937 -15.4240 -15.4240 -15.4074 -15.4074 -15.0865 -15.0865 -15.0413 -15.0413 -14.9934 -14.9934 -14.9520 -14.9520 -9.4322 -9.4322 1.0575 1.0575 1.9372 1.9372 2.2832 2.2832 3.2990 3.2990 3.4842 3.4842 4.0897 4.0897 9.0969 9.0969 9.6898 9.6898 9.9028 9.9028 10.5892 10.5892 k = 0.4074 0.4491-0.0000 ( 3730 PWs) bands (ev): -34.1011 -34.1011 -34.0938 -34.0938 -15.4236 -15.4236 -15.4076 -15.4076 -15.0877 -15.0877 -15.0398 -15.0398 -14.9946 -14.9946 -14.9531 -14.9531 -9.4302 -9.4302 1.0816 1.0816 1.9329 1.9329 2.2370 2.2370 3.3203 3.3203 3.4944 3.4944 4.0747 4.0747 9.0698 9.0698 9.6413 9.6413 9.9138 9.9138 10.5966 10.5966 k = 0.4012 0.4597-0.0000 ( 3732 PWs) bands (ev): -34.1008 -34.1008 -34.0940 -34.0940 -15.4233 -15.4233 -15.4079 -15.4079 -15.0889 -15.0889 -15.0384 -15.0384 -14.9959 -14.9959 -14.9542 -14.9542 -9.4282 -9.4282 1.1070 1.1070 1.9253 1.9253 2.1941 2.1941 3.3427 3.3427 3.5050 3.5050 4.0572 4.0572 9.0465 9.0465 9.5906 9.5906 9.9247 9.9247 10.6103 10.6103 k = 0.3951 0.4704-0.0000 ( 3732 PWs) bands (ev): -34.1004 -34.1004 -34.0942 -34.0942 -15.4230 -15.4230 -15.4082 -15.4082 -15.0900 -15.0900 -15.0369 -15.0369 -14.9972 -14.9972 -14.9552 -14.9552 -9.4262 -9.4262 1.1334 1.1334 1.9128 1.9128 2.1563 2.1563 3.3664 3.3664 3.5160 3.5160 4.0370 4.0370 9.0275 9.0275 9.5386 9.5386 9.9353 9.9353 10.6296 10.6297 k = 0.3889 0.4811-0.0000 ( 3736 PWs) bands (ev): -34.1001 -34.1001 -34.0944 -34.0944 -15.4227 -15.4227 -15.4085 -15.4085 -15.0910 -15.0910 -15.0354 -15.0354 -14.9987 -14.9987 -14.9562 -14.9562 -9.4243 -9.4243 1.1608 1.1608 1.8942 1.8942 2.1252 2.1252 3.3913 3.3913 3.5274 3.5274 4.0141 4.0141 9.0130 9.0130 9.4864 9.4864 9.9454 9.9454 10.6537 10.6537 k = 0.3827 0.4918-0.0000 ( 3728 PWs) bands (ev): -34.0998 -34.0998 -34.0946 -34.0946 -15.4223 -15.4223 -15.4088 -15.4088 -15.0919 -15.0919 -15.0340 -15.0340 -15.0001 -15.0001 -14.9571 -14.9571 -9.4225 -9.4225 1.1890 1.1890 1.8689 1.8689 2.1019 2.1019 3.4174 3.4174 3.5391 3.5391 3.9884 3.9884 9.0033 9.0033 9.4345 9.4345 9.9551 9.9551 10.6818 10.6818 k = 0.3765 0.5025-0.0000 ( 3724 PWs) bands (ev): -34.0994 -34.0994 -34.0948 -34.0948 -15.4220 -15.4220 -15.4092 -15.4092 -15.0928 -15.0928 -15.0325 -15.0325 -15.0015 -15.0015 -14.9578 -14.9578 -9.4207 -9.4207 1.2177 1.2177 1.8379 1.8379 2.0857 2.0857 3.4447 3.4447 3.5510 3.5510 3.9598 3.9598 8.9984 8.9984 9.3838 9.3838 9.9641 9.9641 10.7132 10.7132 k = 0.3704 0.5132-0.0000 ( 3720 PWs) bands (ev): -34.0991 -34.0991 -34.0950 -34.0950 -15.4216 -15.4216 -15.4096 -15.4096 -15.0935 -15.0935 -15.0312 -15.0312 -15.0029 -15.0029 -14.9585 -14.9585 -9.4191 -9.4191 1.2464 1.2464 1.8033 1.8033 2.0751 2.0751 3.4733 3.4733 3.5630 3.5630 3.9283 3.9283 8.9985 8.9985 9.3347 9.3347 9.9723 9.9723 10.7469 10.7469 k = 0.3642 0.5239-0.0000 ( 3718 PWs) bands (ev): -34.0987 -34.0987 -34.0953 -34.0953 -15.4213 -15.4213 -15.4100 -15.4100 -15.0942 -15.0942 -15.0299 -15.0299 -15.0043 -15.0043 -14.9591 -14.9591 -9.4177 -9.4177 1.2748 1.2748 1.7674 1.7674 2.0685 2.0685 3.5029 3.5029 3.5751 3.5751 3.8942 3.8942 9.0035 9.0035 9.2877 9.2877 9.9796 9.9796 10.7820 10.7820 k = 0.3580 0.5346-0.0000 ( 3726 PWs) bands (ev): -34.0983 -34.0983 -34.0956 -34.0956 -15.4210 -15.4210 -15.4104 -15.4104 -15.0947 -15.0947 -15.0287 -15.0287 -15.0055 -15.0055 -14.9597 -14.9597 -9.4165 -9.4165 1.3018 1.3018 1.7326 1.7326 2.0645 2.0645 3.5335 3.5335 3.5873 3.5873 3.8575 3.8575 9.0133 9.0133 9.2432 9.2432 9.9858 9.9858 10.8173 10.8173 k = 0.3519 0.5453-0.0000 ( 3722 PWs) bands (ev): -34.0980 -34.0980 -34.0959 -34.0959 -15.4207 -15.4207 -15.4107 -15.4107 -15.0952 -15.0952 -15.0277 -15.0277 -15.0066 -15.0066 -14.9601 -14.9601 -9.4155 -9.4155 1.3264 1.3264 1.7011 1.7011 2.0622 2.0622 3.5646 3.5646 3.5996 3.5996 3.8188 3.8188 9.0279 9.0279 9.2016 9.2016 9.9910 9.9910 10.8509 10.8509 k = 0.3457 0.5560-0.0000 ( 3716 PWs) bands (ev): -34.0976 -34.0976 -34.0962 -34.0962 -15.4205 -15.4205 -15.4110 -15.4110 -15.0955 -15.0955 -15.0269 -15.0269 -15.0074 -15.0074 -14.9603 -14.9603 -9.4148 -9.4148 1.3467 1.3467 1.6754 1.6754 2.0609 2.0609 3.5942 3.5942 3.6129 3.6129 3.7791 3.7791 9.0469 9.0469 9.1633 9.1633 9.9949 9.9949 10.8799 10.8799 k = 0.3395 0.5667-0.0000 ( 3716 PWs) bands (ev): -34.0972 -34.0972 -34.0965 -34.0965 -15.4203 -15.4203 -15.4112 -15.4112 -15.0956 -15.0956 -15.0264 -15.0264 -15.0080 -15.0080 -14.9605 -14.9605 -9.4143 -9.4143 1.3602 1.3602 1.6584 1.6584 2.0603 2.0603 3.6155 3.6155 3.6303 3.6303 3.7422 3.7422 9.0702 9.0702 9.1285 9.1285 9.9972 9.9972 10.9004 10.9004 k = 0.3333 0.5774-0.0000 ( 3720 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4203 -15.4203 -15.4112 -15.4112 -15.0957 -15.0957 -15.0262 -15.0262 -15.0082 -15.0082 -14.9606 -14.9606 -9.4141 -9.4141 1.3650 1.3650 1.6524 1.6524 2.0602 2.0602 3.6248 3.6248 3.6402 3.6402 3.7236 3.7236 9.0964 9.0964 9.0984 9.0984 9.9981 9.9981 10.9078 10.9078 k = 0.3333 0.5774-0.0000 ( 3720 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4203 -15.4203 -15.4112 -15.4112 -15.0957 -15.0957 -15.0262 -15.0262 -15.0082 -15.0082 -14.9606 -14.9606 -9.4141 -9.4141 1.3650 1.3650 1.6524 1.6524 2.0602 2.0602 3.6248 3.6248 3.6402 3.6402 3.7236 3.7236 9.0964 9.0964 9.0984 9.0984 9.9981 9.9981 10.9078 10.9078 k = 0.3272 0.5667-0.0000 ( 3718 PWs) bands (ev): -34.0972 -34.0972 -34.0965 -34.0965 -15.4203 -15.4203 -15.4112 -15.4112 -15.0956 -15.0956 -15.0264 -15.0264 -15.0080 -15.0080 -14.9605 -14.9605 -9.4143 -9.4143 1.3605 1.3605 1.6582 1.6582 2.0603 2.0603 3.6031 3.6031 3.6445 3.6445 3.7405 3.7405 9.0703 9.0703 9.1283 9.1283 9.9972 9.9972 10.9003 10.9003 k = 0.3210 0.5560-0.0000 ( 3718 PWs) bands (ev): -34.0976 -34.0976 -34.0961 -34.0961 -15.4205 -15.4205 -15.4109 -15.4109 -15.0955 -15.0955 -15.0268 -15.0268 -15.0075 -15.0075 -14.9603 -14.9603 -9.4148 -9.4148 1.3482 1.3482 1.6741 1.6741 2.0607 2.0607 3.5584 3.5584 3.6538 3.6538 3.7744 3.7744 9.0473 9.0473 9.1624 9.1624 9.9946 9.9946 10.8796 10.8797 k = 0.3148 0.5453-0.0000 ( 3722 PWs) bands (ev): -34.0980 -34.0980 -34.0958 -34.0958 -15.4208 -15.4208 -15.4105 -15.4105 -15.0952 -15.0952 -15.0275 -15.0275 -15.0066 -15.0066 -14.9601 -14.9601 -9.4157 -9.4157 1.3311 1.3311 1.6972 1.6972 2.0615 2.0615 3.5069 3.5069 3.6634 3.6634 3.8140 3.8140 9.0287 9.0287 9.1994 9.1994 9.9903 9.9903 10.8497 10.8497 k = 0.3086 0.5346-0.0000 ( 3722 PWs) bands (ev): -34.0985 -34.0985 -34.0954 -34.0954 -15.4213 -15.4213 -15.4098 -15.4098 -15.0948 -15.0948 -15.0284 -15.0284 -15.0056 -15.0056 -14.9597 -14.9597 -9.4170 -9.4170 1.3116 1.3116 1.7249 1.7249 2.0627 2.0627 3.4522 3.4522 3.6726 3.6726 3.8567 3.8567 9.0144 9.0144 9.2389 9.2389 9.9842 9.9842 10.8138 10.8138 k = 0.3025 0.5239-0.0000 ( 3726 PWs) bands (ev): -34.0989 -34.0989 -34.0951 -34.0951 -15.4218 -15.4218 -15.4091 -15.4091 -15.0943 -15.0943 -15.0294 -15.0294 -15.0043 -15.0043 -14.9592 -14.9592 -9.4187 -9.4187 1.2916 1.2916 1.7548 1.7548 2.0649 2.0649 3.3953 3.3953 3.6812 3.6812 3.9018 3.9018 9.0045 9.0045 9.2804 9.2804 9.9765 9.9765 10.7744 10.7744 k = 0.2963 0.5132-0.0000 ( 3724 PWs) bands (ev): -34.0994 -34.0994 -34.0948 -34.0948 -15.4224 -15.4224 -15.4081 -15.4081 -15.0937 -15.0937 -15.0303 -15.0303 -15.0030 -15.0030 -14.9586 -14.9586 -9.4208 -9.4208 1.2722 1.2722 1.7853 1.7853 2.0685 2.0685 3.3368 3.3368 3.6895 3.6895 3.9488 3.9488 8.9992 8.9992 9.3234 9.3234 9.9673 9.9673 10.7329 10.7329 k = 0.2901 0.5025-0.0000 ( 3728 PWs) bands (ev): -34.0999 -34.0999 -34.0945 -34.0945 -15.4230 -15.4230 -15.4070 -15.4070 -15.0930 -15.0930 -15.0313 -15.0313 -15.0015 -15.0015 -14.9579 -14.9579 -9.4233 -9.4233 1.2541 1.2541 1.8146 1.8146 2.0743 2.0743 3.2771 3.2771 3.6972 3.6972 3.9977 3.9977 8.9985 8.9985 9.3676 9.3676 9.9567 9.9567 10.6902 10.6902 k = 0.2840 0.4918-0.0000 ( 3732 PWs) bands (ev): -34.1004 -34.1004 -34.0942 -34.0942 -15.4237 -15.4237 -15.4057 -15.4057 -15.0922 -15.0922 -15.0322 -15.0322 -15.0000 -15.0000 -14.9571 -14.9571 -9.4263 -9.4263 1.2379 1.2379 1.8410 1.8410 2.0835 2.0835 3.2165 3.2165 3.7045 3.7045 4.0485 4.0485 9.0023 9.0023 9.4123 9.4123 9.9450 9.9450 10.6469 10.6469 k = 0.2778 0.4811-0.0000 ( 3736 PWs) bands (ev): -34.1010 -34.1010 -34.0939 -34.0939 -15.4244 -15.4244 -15.4043 -15.4043 -15.0914 -15.0914 -15.0330 -15.0330 -14.9984 -14.9984 -14.9562 -14.9562 -9.4297 -9.4297 1.2239 1.2239 1.8627 1.8627 2.0973 2.0973 3.1552 3.1552 3.7114 3.7114 4.1011 4.1011 9.0106 9.0106 9.4573 9.4573 9.9325 9.9325 10.6034 10.6034 k = 0.2716 0.4704-0.0000 ( 3740 PWs) bands (ev): -34.1015 -34.1015 -34.0936 -34.0936 -15.4251 -15.4251 -15.4028 -15.4028 -15.0906 -15.0906 -15.0337 -15.0337 -14.9968 -14.9968 -14.9552 -14.9552 -9.4336 -9.4336 1.2123 1.2123 1.8785 1.8785 2.1168 2.1168 3.0935 3.0935 3.7180 3.7180 4.1555 4.1555 9.0232 9.0232 9.5019 9.5019 9.9194 9.9194 10.5599 10.5599 k = 0.2654 0.4597-0.0000 ( 3732 PWs) bands (ev): -34.1021 -34.1021 -34.0933 -34.0933 -15.4257 -15.4257 -15.4012 -15.4012 -15.0897 -15.0897 -15.0342 -15.0342 -14.9951 -14.9951 -14.9541 -14.9541 -9.4380 -9.4380 1.2031 1.2031 1.8879 1.8879 2.1420 2.1420 3.0319 3.0319 3.7244 3.7244 4.2118 4.2118 9.0402 9.0402 9.5457 9.5457 9.9060 9.9060 10.5166 10.5166 k = 0.2593 0.4491-0.0000 ( 3732 PWs) bands (ev): -34.1027 -34.1027 -34.0931 -34.0931 -15.4264 -15.4264 -15.3994 -15.3994 -15.0888 -15.0888 -15.0345 -15.0345 -14.9934 -14.9934 -14.9530 -14.9530 -9.4428 -9.4428 1.1965 1.1965 1.8915 1.8915 2.1722 2.1722 2.9704 2.9704 3.7307 3.7307 4.2698 4.2698 9.0613 9.0613 9.5881 9.5881 9.8927 9.8927 10.4737 10.4737 k = 0.2531 0.4384-0.0000 ( 3728 PWs) bands (ev): -34.1033 -34.1033 -34.0929 -34.0929 -15.4270 -15.4270 -15.3974 -15.3974 -15.0879 -15.0879 -15.0347 -15.0347 -14.9917 -14.9917 -14.9518 -14.9518 -9.4480 -9.4480 1.1923 1.1923 1.8900 1.8900 2.2062 2.2062 2.9095 2.9095 3.7369 3.7369 4.3296 4.3296 9.0862 9.0862 9.6287 9.6287 9.8798 9.8798 10.4314 10.4314 k = 0.2469 0.4277-0.0000 ( 3726 PWs) bands (ev): -34.1039 -34.1039 -34.0926 -34.0926 -15.4276 -15.4276 -15.3954 -15.3954 -15.0870 -15.0870 -15.0347 -15.0347 -14.9899 -14.9899 -14.9506 -14.9506 -9.4537 -9.4537 1.1906 1.1906 1.8845 1.8845 2.2429 2.2429 2.8496 2.8496 3.7433 3.7433 4.3913 4.3913 9.1148 9.1148 9.6667 9.6667 9.8679 9.8679 10.3896 10.3896 k = 0.2407 0.4170-0.0000 ( 3726 PWs) bands (ev): -34.1046 -34.1046 -34.0924 -34.0924 -15.4282 -15.4282 -15.3932 -15.3932 -15.0862 -15.0862 -15.0344 -15.0344 -14.9880 -14.9880 -14.9493 -14.9493 -9.4599 -9.4599 1.1913 1.1913 1.8757 1.8757 2.2812 2.2812 2.7910 2.7910 3.7497 3.7497 4.4547 4.4547 9.1468 9.1468 9.7010 9.7010 9.8578 9.8578 10.3486 10.3486 k = 0.2346 0.4063-0.0000 ( 3734 PWs) bands (ev): -34.1052 -34.1052 -34.0922 -34.0922 -15.4288 -15.4288 -15.3909 -15.3909 -15.0855 -15.0855 -15.0340 -15.0340 -14.9862 -14.9862 -14.9480 -14.9480 -9.4664 -9.4664 1.1941 1.1941 1.8642 1.8642 2.3202 2.3202 2.7342 2.7342 3.7565 3.7565 4.5199 4.5199 9.1819 9.1819 9.7302 9.7302 9.8509 9.8509 10.3083 10.3083 k = 0.2284 0.3956-0.0000 ( 3738 PWs) bands (ev): -34.1059 -34.1059 -34.0921 -34.0921 -15.4294 -15.4294 -15.3885 -15.3885 -15.0848 -15.0848 -15.0333 -15.0333 -14.9843 -14.9843 -14.9467 -14.9467 -9.4734 -9.4734 1.1989 1.1989 1.8503 1.8503 2.3589 2.3589 2.6803 2.6803 3.7637 3.7637 4.5870 4.5870 9.2195 9.2195 9.7516 9.7516 9.8497 9.8497 10.2690 10.2690 k = 0.2222 0.3849-0.0000 ( 3734 PWs) bands (ev): -34.1066 -34.1066 -34.0919 -34.0919 -15.4300 -15.4300 -15.3860 -15.3860 -15.0842 -15.0842 -15.0323 -15.0323 -14.9824 -14.9824 -14.9453 -14.9453 -9.4808 -9.4808 1.2053 1.2053 1.8343 1.8343 2.3957 2.3957 2.6307 2.6307 3.7713 3.7713 4.6558 4.6558 9.2594 9.2594 9.7629 9.7629 9.8564 9.8564 10.2306 10.2306 k = 0.2160 0.3742-0.0000 ( 3730 PWs) bands (ev): -34.1073 -34.1073 -34.0918 -34.0918 -15.4305 -15.4305 -15.3834 -15.3834 -15.0836 -15.0836 -15.0311 -15.0311 -14.9804 -14.9804 -14.9439 -14.9439 -9.4885 -9.4885 1.2132 1.2132 1.8165 1.8165 2.4271 2.4271 2.5892 2.5892 3.7795 3.7795 4.7263 4.7263 9.3010 9.3010 9.7652 9.7652 9.8698 9.8698 10.1934 10.1934 k = 0.2099 0.3635-0.0000 ( 3726 PWs) bands (ev): -34.1080 -34.1080 -34.0917 -34.0917 -15.4310 -15.4310 -15.3806 -15.3806 -15.0831 -15.0831 -15.0297 -15.0297 -14.9783 -14.9783 -14.9424 -14.9424 -9.4966 -9.4966 1.2220 1.2220 1.7969 1.7969 2.4430 2.4430 2.5660 2.5660 3.7884 3.7884 4.7987 4.7987 9.3438 9.3438 9.7625 9.7625 9.8857 9.8857 10.1574 10.1574 k = 0.2037 0.3528-0.0000 ( 3730 PWs) bands (ev): -34.1087 -34.1087 -34.0916 -34.0916 -15.4315 -15.4315 -15.3778 -15.3778 -15.0827 -15.0827 -15.0280 -15.0280 -14.9762 -14.9762 -14.9410 -14.9410 -9.5050 -9.5050 1.2313 1.2313 1.7757 1.7757 2.4321 2.4321 2.5730 2.5730 3.7980 3.7980 4.8727 4.8727 9.3871 9.3871 9.7577 9.7577 9.9010 9.9010 10.1226 10.1226 k = 0.1975 0.3421-0.0000 ( 3726 PWs) bands (ev): -34.1094 -34.1094 -34.0915 -34.0915 -15.4320 -15.4320 -15.3749 -15.3749 -15.0823 -15.0823 -15.0261 -15.0261 -14.9741 -14.9741 -14.9396 -14.9396 -9.5136 -9.5136 1.2405 1.2405 1.7530 1.7530 2.4048 2.4048 2.6001 2.6001 3.8083 3.8083 4.9485 4.9485 9.4301 9.4301 9.7525 9.7525 9.9143 9.9143 10.0894 10.0894 k = 0.1914 0.3314-0.0000 ( 3724 PWs) bands (ev): -34.1101 -34.1101 -34.0914 -34.0914 -15.4325 -15.4325 -15.3719 -15.3719 -15.0819 -15.0819 -15.0240 -15.0240 -14.9719 -14.9719 -14.9382 -14.9382 -9.5226 -9.5226 1.2491 1.2491 1.7289 1.7289 2.3747 2.3747 2.6342 2.6342 3.8194 3.8194 5.0259 5.0259 9.4723 9.4723 9.7476 9.7476 9.9246 9.9246 10.0578 10.0578 k = 0.1852 0.3208-0.0000 ( 3726 PWs) bands (ev): -34.1109 -34.1109 -34.0913 -34.0913 -15.4330 -15.4330 -15.3689 -15.3689 -15.0816 -15.0816 -15.0218 -15.0218 -14.9697 -14.9697 -14.9368 -14.9368 -9.5318 -9.5318 1.2564 1.2564 1.7034 1.7034 2.3474 2.3474 2.6704 2.6704 3.8312 3.8312 5.1049 5.1049 9.5126 9.5126 9.7434 9.7434 9.9316 9.9316 10.0282 10.0282 k = 0.1790 0.3101-0.0000 ( 3718 PWs) bands (ev): -34.1116 -34.1116 -34.0913 -34.0913 -15.4334 -15.4334 -15.3658 -15.3658 -15.0813 -15.0813 -15.0194 -15.0194 -14.9674 -14.9674 -14.9355 -14.9355 -9.5412 -9.5412 1.2617 1.2617 1.6768 1.6768 2.3250 2.3250 2.7071 2.7071 3.8439 3.8439 5.1855 5.1855 9.5502 9.5502 9.7401 9.7401 9.9351 9.9351 10.0008 10.0008 k = 0.1728 0.2994-0.0000 ( 3722 PWs) bands (ev): -34.1123 -34.1123 -34.0912 -34.0912 -15.4339 -15.4339 -15.3627 -15.3627 -15.0811 -15.0811 -15.0168 -15.0168 -14.9652 -14.9652 -14.9341 -14.9341 -9.5507 -9.5507 1.2645 1.2645 1.6491 1.6491 2.3087 2.3087 2.7435 2.7435 3.8573 3.8573 5.2676 5.2676 9.5840 9.5840 9.7376 9.7376 9.9352 9.9352 9.9760 9.9760 k = 0.1667 0.2887-0.0000 ( 3718 PWs) bands (ev): -34.1130 -34.1130 -34.0912 -34.0912 -15.4344 -15.4344 -15.3596 -15.3596 -15.0808 -15.0808 -15.0141 -15.0141 -14.9629 -14.9629 -14.9328 -14.9328 -9.5604 -9.5604 1.2640 1.2640 1.6206 1.6206 2.2993 2.2993 2.7793 2.7793 3.8714 3.8714 5.3512 5.3512 9.6131 9.6131 9.7362 9.7362 9.9318 9.9318 9.9546 9.9546 k = 0.1605 0.2780-0.0000 ( 3715 PWs) bands (ev): -34.1138 -34.1138 -34.0912 -34.0912 -15.4349 -15.4349 -15.3564 -15.3564 -15.0805 -15.0805 -15.0113 -15.0113 -14.9605 -14.9605 -14.9314 -14.9314 -9.5701 -9.5701 1.2600 1.2600 1.5915 1.5915 2.2970 2.2970 2.8143 2.8143 3.8862 3.8862 5.4361 5.4361 9.6363 9.6363 9.7358 9.7358 9.9250 9.9250 9.9371 9.9371 k = 0.1543 0.2673-0.0000 ( 3719 PWs) bands (ev): -34.1145 -34.1145 -34.0912 -34.0912 -15.4354 -15.4354 -15.3533 -15.3533 -15.0802 -15.0802 -15.0084 -15.0084 -14.9582 -14.9582 -14.9301 -14.9301 -9.5799 -9.5799 1.2522 1.2522 1.5620 1.5620 2.3021 2.3021 2.8485 2.8485 3.9016 3.9016 5.5223 5.5223 9.6528 9.6528 9.7362 9.7362 9.9151 9.9151 9.9238 9.9238 k = 0.1481 0.2566-0.0000 ( 3717 PWs) bands (ev): -34.1152 -34.1152 -34.0912 -34.0912 -15.4359 -15.4359 -15.3501 -15.3501 -15.0800 -15.0800 -15.0055 -15.0055 -14.9559 -14.9559 -14.9288 -14.9288 -9.5898 -9.5898 1.2406 1.2406 1.5323 1.5323 2.3143 2.3143 2.8816 2.8816 3.9175 3.9175 5.6097 5.6097 9.6623 9.6623 9.7376 9.7376 9.9031 9.9031 9.9143 9.9143 k = 0.1420 0.2459-0.0000 ( 3721 PWs) bands (ev): -34.1159 -34.1159 -34.0912 -34.0912 -15.4364 -15.4364 -15.3470 -15.3470 -15.0797 -15.0797 -15.0025 -15.0025 -14.9536 -14.9536 -14.9276 -14.9276 -9.5996 -9.5996 1.2253 1.2253 1.5028 1.5028 2.3333 2.3333 2.9136 2.9136 3.9339 3.9339 5.6981 5.6981 9.6651 9.6651 9.7398 9.7398 9.8888 9.8888 9.9085 9.9085 k = 0.1358 0.2352-0.0000 ( 3727 PWs) bands (ev): -34.1166 -34.1166 -34.0913 -34.0913 -15.4370 -15.4370 -15.3440 -15.3440 -15.0793 -15.0793 -14.9994 -14.9994 -14.9513 -14.9513 -14.9263 -14.9263 -9.6093 -9.6093 1.2068 1.2068 1.4737 1.4737 2.3584 2.3584 2.9447 2.9447 3.9505 3.9505 5.7874 5.7874 9.6623 9.6623 9.7426 9.7426 9.8720 9.8720 9.9057 9.9057 k = 0.1296 0.2245-0.0000 ( 3735 PWs) bands (ev): -34.1172 -34.1172 -34.0913 -34.0913 -15.4375 -15.4375 -15.3410 -15.3410 -15.0790 -15.0790 -14.9963 -14.9963 -14.9491 -14.9491 -14.9250 -14.9250 -9.6190 -9.6190 1.1855 1.1855 1.4451 1.4451 2.3890 2.3890 2.9746 2.9746 3.9675 3.9675 5.8775 5.8775 9.6554 9.6554 9.7459 9.7459 9.8534 9.8534 9.9043 9.9043 k = 0.1235 0.2138-0.0000 ( 3729 PWs) bands (ev): -34.1179 -34.1179 -34.0914 -34.0914 -15.4381 -15.4381 -15.3380 -15.3380 -15.0786 -15.0786 -14.9932 -14.9932 -14.9470 -14.9470 -14.9237 -14.9237 -9.6285 -9.6285 1.1619 1.1619 1.4171 1.4171 2.4242 2.4242 3.0036 3.0036 3.9846 3.9846 5.9682 5.9682 9.6458 9.6458 9.7495 9.7495 9.8332 9.8332 9.9031 9.9031 k = 0.1173 0.2031-0.0000 ( 3731 PWs) bands (ev): -34.1185 -34.1185 -34.0914 -34.0914 -15.4386 -15.4386 -15.3351 -15.3351 -15.0783 -15.0783 -14.9901 -14.9901 -14.9450 -14.9450 -14.9224 -14.9224 -9.6378 -9.6378 1.1367 1.1367 1.3898 1.3898 2.4632 2.4632 3.0315 3.0315 4.0017 4.0017 6.0592 6.0592 9.6345 9.6345 9.7532 9.7532 9.8120 9.8120 9.9009 9.9009 k = 0.1111 0.1925-0.0000 ( 3727 PWs) bands (ev): -34.1191 -34.1191 -34.0915 -34.0915 -15.4392 -15.4392 -15.3323 -15.3323 -15.0779 -15.0779 -14.9870 -14.9870 -14.9431 -14.9431 -14.9210 -14.9210 -9.6469 -9.6469 1.1104 1.1104 1.3634 1.3634 2.5054 2.5054 3.0584 3.0584 4.0187 4.0187 6.1504 6.1504 9.6226 9.6226 9.7563 9.7563 9.7905 9.7905 9.8970 9.8970 k = 0.1049 0.1818-0.0000 ( 3723 PWs) bands (ev): -34.1197 -34.1197 -34.0915 -34.0915 -15.4397 -15.4397 -15.3296 -15.3296 -15.0775 -15.0775 -14.9839 -14.9839 -14.9414 -14.9414 -14.9196 -14.9196 -9.6557 -9.6557 1.0835 1.0835 1.3379 1.3379 2.5498 2.5498 3.0845 3.0845 4.0356 4.0356 6.2414 6.2414 9.6106 9.6106 9.7557 9.7557 9.7717 9.7717 9.8910 9.8910 k = 0.0988 0.1711-0.0000 ( 3723 PWs) bands (ev): -34.1203 -34.1203 -34.0916 -34.0916 -15.4403 -15.4403 -15.3270 -15.3270 -15.0771 -15.0771 -14.9808 -14.9808 -14.9399 -14.9399 -14.9180 -14.9180 -9.6643 -9.6643 1.0563 1.0563 1.3133 1.3133 2.5958 2.5958 3.1098 3.1098 4.0521 4.0521 6.3320 6.3320 9.5990 9.5990 9.7402 9.7402 9.7665 9.7665 9.8828 9.8828 k = 0.0926 0.1604-0.0000 ( 3727 PWs) bands (ev): -34.1209 -34.1209 -34.0917 -34.0917 -15.4409 -15.4409 -15.3245 -15.3245 -15.0767 -15.0767 -14.9778 -14.9778 -14.9386 -14.9386 -14.9165 -14.9165 -9.6725 -9.6725 1.0295 1.0295 1.2898 1.2898 2.6424 2.6424 3.1343 3.1343 4.0682 4.0682 6.4217 6.4217 9.5879 9.5879 9.7185 9.7185 9.7657 9.7657 9.8724 9.8724 k = 0.0864 0.1497-0.0000 ( 3731 PWs) bands (ev): -34.1214 -34.1214 -34.0917 -34.0917 -15.4415 -15.4415 -15.3222 -15.3222 -15.0763 -15.0763 -14.9749 -14.9749 -14.9375 -14.9375 -14.9148 -14.9148 -9.6804 -9.6804 1.0032 1.0032 1.2673 1.2673 2.6891 2.6891 3.1583 3.1583 4.0839 4.0839 6.5102 6.5102 9.5776 9.5776 9.6963 9.6963 9.7624 9.7624 9.8600 9.8600 k = 0.0802 0.1390-0.0000 ( 3729 PWs) bands (ev): -34.1219 -34.1219 -34.0918 -34.0918 -15.4420 -15.4420 -15.3199 -15.3199 -15.0759 -15.0759 -14.9720 -14.9720 -14.9367 -14.9367 -14.9132 -14.9132 -9.6879 -9.6879 0.9778 0.9778 1.2461 1.2461 2.7350 2.7350 3.1817 3.1817 4.0989 4.0989 6.5970 6.5970 9.5683 9.5683 9.6744 9.6744 9.7530 9.7530 9.8459 9.8459 k = 0.0741 0.1283-0.0000 ( 3731 PWs) bands (ev): -34.1223 -34.1223 -34.0918 -34.0918 -15.4425 -15.4425 -15.3179 -15.3179 -15.0755 -15.0755 -14.9692 -14.9692 -14.9360 -14.9360 -14.9115 -14.9115 -9.6949 -9.6949 0.9535 0.9535 1.2261 1.2261 2.7794 2.7794 3.2047 3.2047 4.1132 4.1132 6.6816 6.6816 9.5601 9.5601 9.6533 9.6533 9.7331 9.7331 9.8304 9.8304 k = 0.0679 0.1176-0.0000 ( 3729 PWs) bands (ev): -34.1228 -34.1228 -34.0919 -34.0919 -15.4430 -15.4430 -15.3159 -15.3159 -15.0751 -15.0751 -14.9664 -14.9664 -14.9356 -14.9356 -14.9098 -14.9098 -9.7015 -9.7015 0.9305 0.9305 1.2073 1.2073 2.8217 2.8217 3.2275 3.2275 4.1268 4.1268 6.7634 6.7634 9.5529 9.5529 9.6330 9.6330 9.7007 9.7007 9.8142 9.8143 k = 0.0617 0.1069-0.0000 ( 3733 PWs) bands (ev): -34.1232 -34.1232 -34.0920 -34.0920 -15.4435 -15.4435 -15.3141 -15.3141 -15.0748 -15.0748 -14.9637 -14.9637 -14.9354 -14.9354 -14.9082 -14.9082 -9.7077 -9.7077 0.9091 0.9091 1.1900 1.1900 2.8613 2.8613 3.2499 3.2499 4.1395 4.1395 6.8417 6.8417 9.5469 9.5469 9.6136 9.6136 9.6601 9.6601 9.7977 9.7986 k = 0.0556 0.0962-0.0000 ( 3729 PWs) bands (ev): -34.1235 -34.1235 -34.0920 -34.0920 -15.4440 -15.4440 -15.3125 -15.3125 -15.0744 -15.0744 -14.9611 -14.9611 -14.9354 -14.9354 -14.9066 -14.9066 -9.7133 -9.7133 0.8893 0.8893 1.1741 1.1741 2.8975 2.8975 3.2719 3.2719 4.1512 4.1512 6.9158 6.9158 9.5420 9.5420 9.5940 9.5940 9.6192 9.6192 9.7809 9.7820 k = 0.0494 0.0855-0.0000 ( 3733 PWs) bands (ev): -34.1239 -34.1239 -34.0921 -34.0921 -15.4444 -15.4444 -15.3110 -15.3110 -15.0741 -15.0741 -14.9587 -14.9587 -14.9356 -14.9356 -14.9051 -14.9051 -9.7184 -9.7184 0.8713 0.8713 1.1597 1.1597 2.9300 2.9300 3.2935 3.2935 4.1619 4.1619 6.9849 6.9849 9.5381 9.5381 9.5677 9.5677 9.5890 9.5890 9.7644 9.7644 k = 0.0432 0.0748-0.0000 ( 3733 PWs) bands (ev): -34.1242 -34.1242 -34.0921 -34.0921 -15.4448 -15.4448 -15.3097 -15.3097 -15.0738 -15.0738 -14.9563 -14.9563 -14.9359 -14.9359 -14.9037 -14.9037 -9.7229 -9.7229 0.8552 0.8552 1.1469 1.1469 2.9586 2.9586 3.3142 3.3142 4.1715 4.1715 7.0484 7.0484 9.5347 9.5347 9.5355 9.5355 9.5718 9.5718 9.7487 9.7497 k = 0.0370 0.0642-0.0000 ( 3729 PWs) bands (ev): -34.1244 -34.1244 -34.0922 -34.0922 -15.4451 -15.4451 -15.3085 -15.3085 -15.0736 -15.0736 -14.9540 -14.9540 -14.9364 -14.9364 -14.9025 -14.9025 -9.7269 -9.7269 0.8411 0.8411 1.1356 1.1356 2.9830 2.9830 3.3337 3.3337 4.1800 4.1800 7.1053 7.1053 9.5059 9.5059 9.5332 9.5332 9.5591 9.5591 9.7340 9.7341 k = 0.0309 0.0535-0.0000 ( 3729 PWs) bands (ev): -34.1246 -34.1246 -34.0922 -34.0922 -15.4454 -15.4454 -15.3076 -15.3076 -15.0734 -15.0734 -14.9518 -14.9518 -14.9371 -14.9371 -14.9014 -14.9014 -9.7303 -9.7303 0.8290 0.8290 1.1261 1.1261 3.0033 3.0033 3.3515 3.3515 4.1873 4.1873 7.1549 7.1549 9.4831 9.4831 9.5319 9.5319 9.5492 9.5492 9.7207 9.7207 k = 0.0247 0.0428-0.0000 ( 3733 PWs) bands (ev): -34.1248 -34.1248 -34.0922 -34.0922 -15.4456 -15.4456 -15.3068 -15.3068 -15.0732 -15.0732 -14.9498 -14.9498 -14.9379 -14.9379 -14.9005 -14.9005 -9.7331 -9.7331 0.8191 0.8191 1.1182 1.1182 3.0197 3.0197 3.3670 3.3670 4.1933 4.1933 7.1964 7.1964 9.4667 9.4667 9.5312 9.5312 9.5418 9.5418 9.7092 9.7092 k = 0.0185 0.0321-0.0000 ( 3737 PWs) bands (ev): -34.1249 -34.1249 -34.0923 -34.0923 -15.4458 -15.4458 -15.3062 -15.3062 -15.0731 -15.0731 -14.9479 -14.9479 -14.9389 -14.9389 -14.8998 -14.8998 -9.7353 -9.7353 0.8113 0.8113 1.1120 1.1120 3.0322 3.0322 3.3797 3.3797 4.1980 4.1980 7.2294 7.2294 9.4563 9.4563 9.5307 9.5307 9.5371 9.5371 9.6998 9.6999 k = 0.0123 0.0214-0.0000 ( 3737 PWs) bands (ev): -34.1250 -34.1250 -34.0923 -34.0923 -15.4460 -15.4460 -15.3057 -15.3057 -15.0730 -15.0730 -14.9461 -14.9461 -14.9400 -14.9400 -14.8993 -14.8993 -9.7369 -9.7369 0.8057 0.8057 1.1076 1.1076 3.0409 3.0409 3.3892 3.3892 4.2014 4.2014 7.2534 7.2534 9.4505 9.4505 9.5300 9.5300 9.5350 9.5350 9.6928 9.6929 k = 0.0062 0.0107-0.0000 ( 3729 PWs) bands (ev): -34.1251 -34.1251 -34.0923 -34.0923 -15.4460 -15.4460 -15.3054 -15.3054 -15.0729 -15.0729 -14.9445 -14.9445 -14.9411 -14.9411 -14.8989 -14.8989 -9.7378 -9.7378 0.8024 0.8024 1.1049 1.1049 3.0462 3.0462 3.3950 3.3950 4.2034 4.2034 7.2678 7.2678 9.4479 9.4479 9.5296 9.5296 9.5345 9.5345 9.6883 9.6887 k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -34.1251 -34.1251 -34.0923 -34.0923 -15.4461 -15.4461 -15.3053 -15.3053 -15.0729 -15.0729 -14.9435 -14.9435 -14.9419 -14.9419 -14.8988 -14.8988 -9.7381 -9.7381 0.8012 0.8012 1.1040 1.1040 3.0479 3.0479 3.3970 3.3970 4.2041 4.2041 7.2727 7.2727 9.4473 9.4473 9.5295 9.5295 9.5345 9.5345 9.6862 9.6869 k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -34.1251 -34.1251 -34.0923 -34.0923 -15.4461 -15.4461 -15.3053 -15.3053 -15.0729 -15.0729 -14.9435 -14.9435 -14.9419 -14.9419 -14.8988 -14.8988 -9.7381 -9.7381 0.8012 0.8012 1.1040 1.1040 3.0479 3.0479 3.3970 3.3970 4.2041 4.2041 7.2727 7.2727 9.4473 9.4473 9.5295 9.5295 9.5345 9.5345 9.6862 9.6868 k = 0.0000 0.0000 0.0122 ( 3725 PWs) bands (ev): -34.1251 -34.1251 -34.0923 -34.0923 -15.4460 -15.4460 -15.3054 -15.3054 -15.0728 -15.0728 -14.9435 -14.9435 -14.9421 -14.9421 -14.8988 -14.8988 -9.7381 -9.7381 0.7863 0.7863 1.1211 1.1211 3.0479 3.0479 3.3970 3.3970 4.2016 4.2016 7.2735 7.2735 9.4470 9.4470 9.5293 9.5293 9.5342 9.5342 9.6868 9.6875 k = 0.0000 0.0000 0.0244 ( 3725 PWs) bands (ev): -34.1251 -34.1251 -34.0923 -34.0923 -15.4458 -15.4458 -15.3055 -15.3055 -15.0727 -15.0727 -14.9435 -14.9435 -14.9423 -14.9423 -14.8988 -14.8988 -9.7379 -9.7379 0.7488 0.7488 1.1650 1.1650 3.0478 3.0478 3.3968 3.3968 4.1940 4.1940 7.2758 7.2758 9.4460 9.4460 9.5283 9.5283 9.5336 9.5336 9.6888 9.6892 k = 0.0000 0.0000 0.0366 ( 3737 PWs) bands (ev): -34.1251 -34.1251 -34.0923 -34.0923 -15.4454 -15.4454 -15.3058 -15.3058 -15.0725 -15.0725 -14.9435 -14.9435 -14.9427 -14.9427 -14.8988 -14.8988 -9.7377 -9.7377 0.7003 0.7003 1.2242 1.2242 3.0478 3.0478 3.3966 3.3966 4.1815 4.1815 7.2795 7.2795 9.4440 9.4440 9.5266 9.5266 9.5321 9.5321 9.6925 9.6928 k = 0.0000 0.0000 0.0488 ( 3725 PWs) bands (ev): -34.1251 -34.1251 -34.0923 -34.0923 -15.4449 -15.4449 -15.3061 -15.3061 -15.0722 -15.0722 -14.9435 -14.9435 -14.9432 -14.9432 -14.8988 -14.8988 -9.7374 -9.7374 0.6474 0.6474 1.2920 1.2920 3.0478 3.0478 3.3964 3.3964 4.1639 4.1639 7.2848 7.2848 9.4405 9.4405 9.5237 9.5237 9.5297 9.5297 9.6982 9.6983 k = 0.0000 0.0000 0.0610 ( 3719 PWs) bands (ev): -34.1251 -34.1251 -34.0923 -34.0923 -15.4442 -15.4442 -15.3066 -15.3066 -15.0718 -15.0718 -14.9439 -14.9439 -14.9435 -14.9435 -14.8988 -14.8988 -9.7370 -9.7370 0.5936 0.5936 1.3649 1.3649 3.0477 3.0477 3.3961 3.3961 4.1416 4.1416 7.2915 7.2915 9.4345 9.4345 9.5193 9.5193 9.5258 9.5258 9.7059 9.7061 k = 0.0000 0.0000 0.0732 ( 3719 PWs) bands (ev): -34.1251 -34.1251 -34.0924 -34.0924 -15.4435 -15.4435 -15.3071 -15.3071 -15.0713 -15.0713 -14.9447 -14.9447 -14.9434 -14.9434 -14.8988 -14.8988 -9.7365 -9.7365 0.5404 0.5404 1.4412 1.4412 3.0477 3.0477 3.3957 3.3957 4.1145 4.1145 7.2996 7.2996 9.4252 9.4252 9.5134 9.5134 9.5204 9.5204 9.7161 9.7161 k = 0.0000 0.0000 0.0854 ( 3719 PWs) bands (ev): -34.1250 -34.1250 -34.0924 -34.0924 -15.4426 -15.4426 -15.3077 -15.3077 -15.0708 -15.0708 -14.9457 -14.9457 -14.9434 -14.9434 -14.8988 -14.8988 -9.7360 -9.7360 0.4886 0.4886 1.5201 1.5201 3.0477 3.0477 3.3952 3.3952 4.0827 4.0827 7.3090 7.3090 9.4116 9.4116 9.5060 9.5060 9.5134 9.5134 9.7294 9.7303 k = 0.0000 0.0000 0.0976 ( 3719 PWs) bands (ev): -34.1250 -34.1250 -34.0924 -34.0924 -15.4417 -15.4417 -15.3084 -15.3084 -15.0702 -15.0702 -14.9467 -14.9467 -14.9434 -14.9434 -14.8988 -14.8988 -9.7354 -9.7354 0.4390 0.4390 1.6009 1.6009 3.0478 3.0478 3.3947 3.3947 4.0465 4.0465 7.3195 7.3195 9.3929 9.3929 9.4973 9.4973 9.5050 9.5050 9.7457 9.7472 k = 0.0000 0.0000 0.1099 ( 3732 PWs) bands (ev): -34.1250 -34.1250 -34.0924 -34.0924 -15.4407 -15.4407 -15.3092 -15.3092 -15.0696 -15.0696 -14.9479 -14.9479 -14.9434 -14.9434 -14.8989 -14.8989 -9.7347 -9.7347 0.3917 0.3917 1.6831 1.6831 3.0480 3.0480 3.3942 3.3942 4.0061 4.0061 7.3312 7.3312 9.3687 9.3687 9.4875 9.4875 9.4954 9.4954 9.7648 9.7658 k = 0.0000 0.0000 0.1221 ( 3738 PWs) bands (ev): -34.1250 -34.1250 -34.0925 -34.0925 -15.4396 -15.4396 -15.3100 -15.3100 -15.0690 -15.0690 -14.9491 -14.9491 -14.9434 -14.9434 -14.8988 -14.8988 -9.7341 -9.7341 0.3470 0.3470 1.7664 1.7664 3.0483 3.0483 3.3936 3.3936 3.9616 3.9616 7.3438 7.3438 9.3391 9.3391 9.4770 9.4770 9.4852 9.4852 9.7865 9.7871 k = 0.0000 0.0000 0.1343 ( 3738 PWs) bands (ev): -34.1249 -34.1249 -34.0925 -34.0925 -15.4384 -15.4384 -15.3109 -15.3109 -15.0683 -15.0683 -14.9503 -14.9503 -14.9434 -14.9434 -14.8989 -14.8989 -9.7334 -9.7334 0.3051 0.3051 1.8503 1.8503 3.0487 3.0487 3.3931 3.3931 3.9133 3.9133 7.3572 7.3572 9.3050 9.3050 9.4661 9.4661 9.4744 9.4744 9.8106 9.8120 k = 0.0000 0.0000 0.1465 ( 3732 PWs) bands (ev): -34.1249 -34.1249 -34.0925 -34.0925 -15.4372 -15.4372 -15.3117 -15.3117 -15.0675 -15.0675 -14.9515 -14.9515 -14.9434 -14.9434 -14.8989 -14.8989 -9.7327 -9.7327 0.2662 0.2662 1.9344 1.9344 3.0495 3.0495 3.3925 3.3925 3.8614 3.8614 7.3712 7.3712 9.2675 9.2675 9.4552 9.4552 9.4636 9.4636 9.8364 9.8388 k = 0.0000 0.0000 0.1587 ( 3726 PWs) bands (ev): -34.1249 -34.1249 -34.0926 -34.0926 -15.4360 -15.4360 -15.3126 -15.3126 -15.0668 -15.0668 -14.9528 -14.9528 -14.9434 -14.9434 -14.8989 -14.8989 -9.7320 -9.7320 0.2304 0.2304 2.0185 2.0185 3.0505 3.0505 3.3919 3.3919 3.8064 3.8064 7.3856 7.3856 9.2279 9.2279 9.4444 9.4444 9.4529 9.4529 9.8637 9.8639 k = 0.0000 0.0000 0.1709 ( 3726 PWs) bands (ev): -34.1248 -34.1248 -34.0926 -34.0926 -15.4348 -15.4348 -15.3135 -15.3135 -15.0660 -15.0660 -14.9540 -14.9540 -14.9433 -14.9433 -14.8989 -14.8989 -9.7313 -9.7313 0.1977 0.1977 2.1019 2.1019 3.0521 3.0521 3.3914 3.3914 3.7485 3.7485 7.4001 7.4001 9.1876 9.1876 9.4340 9.4340 9.4426 9.4426 9.8919 9.8932 k = 0.0000 0.0000 0.1831 ( 3738 PWs) bands (ev): -34.1248 -34.1248 -34.0926 -34.0926 -15.4337 -15.4337 -15.3144 -15.3144 -15.0654 -15.0654 -14.9553 -14.9553 -14.9434 -14.9434 -14.8989 -14.8989 -9.7307 -9.7307 0.1683 0.1683 2.1840 2.1840 3.0543 3.0543 3.3909 3.3909 3.6882 3.6882 7.4144 7.4144 9.1478 9.1478 9.4243 9.4243 9.4328 9.4328 9.9206 9.9213 k = 0.0000 0.0000 0.1953 ( 3732 PWs) bands (ev): -34.1248 -34.1248 -34.0926 -34.0926 -15.4326 -15.4326 -15.3151 -15.3151 -15.0647 -15.0647 -14.9564 -14.9564 -14.9433 -14.9433 -14.8989 -14.8989 -9.7301 -9.7301 0.1421 0.1421 2.2642 2.2642 3.0574 3.0574 3.3904 3.3904 3.6261 3.6261 7.4282 7.4282 9.1099 9.1099 9.4153 9.4153 9.4239 9.4239 9.9491 9.9507 k = 0.0000 0.0000 0.2075 ( 3732 PWs) bands (ev): -34.1247 -34.1247 -34.0927 -34.0927 -15.4316 -15.4316 -15.3159 -15.3159 -15.0640 -15.0640 -14.9574 -14.9574 -14.9433 -14.9433 -14.8989 -14.8989 -9.7296 -9.7296 0.1194 0.1194 2.3413 2.3413 3.0618 3.0618 3.3899 3.3899 3.5627 3.5627 7.4412 7.4412 9.0748 9.0748 9.4073 9.4073 9.4159 9.4159 9.9765 9.9767 k = 0.0000 0.0000 0.2197 ( 3726 PWs) bands (ev): -34.1247 -34.1247 -34.0927 -34.0927 -15.4307 -15.4307 -15.3165 -15.3165 -15.0634 -15.0634 -14.9584 -14.9584 -14.9433 -14.9433 -14.8989 -14.8989 -9.7291 -9.7291 0.1000 0.1000 2.4141 2.4141 3.0680 3.0680 3.3895 3.3895 3.4991 3.4991 7.4530 7.4530 9.0434 9.0434 9.4003 9.4003 9.4089 9.4089 10.0022 10.0029 k = 0.0000 0.0000 0.2319 ( 3714 PWs) bands (ev): -34.1247 -34.1247 -34.0927 -34.0927 -15.4299 -15.4299 -15.3171 -15.3171 -15.0629 -15.0629 -14.9591 -14.9591 -14.9433 -14.9433 -14.8989 -14.8989 -9.7287 -9.7287 0.0842 0.0842 2.4804 2.4804 3.0769 3.0769 3.3892 3.3892 3.4364 3.4364 7.4633 7.4633 9.0165 9.0165 9.3944 9.3944 9.4031 9.4031 10.0251 10.0251 k = 0.0000 0.0000 0.2441 ( 3702 PWs) bands (ev): -34.1247 -34.1247 -34.0927 -34.0927 -15.4293 -15.4293 -15.3175 -15.3175 -15.0625 -15.0625 -14.9597 -14.9597 -14.9433 -14.9433 -14.8988 -14.8988 -9.7284 -9.7284 0.0718 0.0718 2.5378 2.5378 3.0891 3.0891 3.3765 3.3765 3.3890 3.3890 7.4718 7.4718 8.9949 8.9949 9.3898 9.3898 9.3985 9.3985 10.0443 10.0456 k = 0.0000 0.0000 0.2563 ( 3690 PWs) bands (ev): -34.1247 -34.1247 -34.0927 -34.0927 -15.4287 -15.4287 -15.3178 -15.3178 -15.0622 -15.0622 -14.9602 -14.9602 -14.9432 -14.9432 -14.8988 -14.8988 -9.7281 -9.7281 0.0630 0.0630 2.5828 2.5828 3.1051 3.1051 3.3224 3.3224 3.3888 3.3888 7.4781 7.4781 8.9791 8.9791 9.3865 9.3865 9.3952 9.3952 10.0589 10.0613 k = 0.0000 0.0000 0.2685 ( 3708 PWs) bands (ev): -34.1247 -34.1247 -34.0927 -34.0927 -15.4285 -15.4285 -15.3181 -15.3181 -15.0621 -15.0621 -14.9605 -14.9605 -14.9433 -14.9433 -14.8989 -14.8989 -9.7280 -9.7280 0.0576 0.0576 2.6118 2.6118 3.1223 3.1223 3.2803 3.2803 3.3886 3.3886 7.4819 7.4819 8.9694 8.9694 9.3845 9.3845 9.3932 9.3932 10.0678 10.0680 k = 0.0000 0.0000 0.2807 ( 3702 PWs) bands (ev): -34.1247 -34.1247 -34.0927 -34.0927 -15.4284 -15.4284 -15.3181 -15.3181 -15.0620 -15.0620 -14.9606 -14.9606 -14.9433 -14.9433 -14.8989 -14.8989 -9.7279 -9.7279 0.0558 0.0558 2.6219 2.6219 3.1312 3.1312 3.2627 3.2627 3.3886 3.3886 7.4832 7.4832 8.9662 8.9662 9.3838 9.3838 9.3925 9.3925 10.0709 10.0710 k = 0.0000 0.0000 0.2807 ( 3702 PWs) bands (ev): -34.1247 -34.1247 -34.0927 -34.0927 -15.4284 -15.4284 -15.3181 -15.3181 -15.0620 -15.0620 -14.9606 -14.9606 -14.9433 -14.9433 -14.8989 -14.8989 -9.7279 -9.7279 0.0558 0.0558 2.6219 2.6219 3.1312 3.1312 3.2627 3.2627 3.3886 3.3886 7.4832 7.4832 8.9662 8.9662 9.3838 9.3838 9.3925 9.3925 10.0710 10.0721 k = 0.0106 0.0061 0.2807 ( 3696 PWs) bands (ev): -34.1246 -34.1246 -34.0927 -34.0927 -15.4284 -15.4284 -15.3182 -15.3182 -15.0620 -15.0620 -14.9608 -14.9608 -14.9432 -14.9432 -14.8990 -14.8990 -9.7276 -9.7276 0.0573 0.0573 2.6215 2.6215 3.1273 3.1273 3.2628 3.2628 3.3898 3.3898 7.4740 7.4740 8.9686 8.9686 9.3875 9.3875 9.3999 9.3999 10.0687 10.0689 k = 0.0213 0.0123 0.2807 ( 3696 PWs) bands (ev): -34.1246 -34.1246 -34.0927 -34.0927 -15.4284 -15.4284 -15.3184 -15.3184 -15.0621 -15.0621 -14.9614 -14.9614 -14.9429 -14.9429 -14.8992 -14.8992 -9.7268 -9.7268 0.0616 0.0616 2.6203 2.6203 3.1160 3.1160 3.2629 3.2629 3.3934 3.3934 7.4471 7.4471 8.9758 8.9758 9.3924 9.3924 9.4280 9.4280 10.0592 10.0592 k = 0.0319 0.0184 0.2807 ( 3702 PWs) bands (ev): -34.1245 -34.1245 -34.0927 -34.0927 -15.4284 -15.4284 -15.3188 -15.3188 -15.0622 -15.0622 -14.9624 -14.9624 -14.9426 -14.9426 -14.8997 -14.8997 -9.7253 -9.7253 0.0687 0.0687 2.6183 2.6183 3.0982 3.0982 3.2622 3.2622 3.3993 3.3993 7.4040 7.4040 8.9874 8.9874 9.3986 9.3986 9.4744 9.4744 10.0410 10.0411 k = 0.0426 0.0246 0.2807 ( 3718 PWs) bands (ev): -34.1244 -34.1244 -34.0927 -34.0927 -15.4284 -15.4284 -15.3194 -15.3194 -15.0624 -15.0624 -14.9637 -14.9637 -14.9421 -14.9421 -14.9004 -14.9004 -9.7233 -9.7233 0.0787 0.0787 2.6153 2.6153 3.0750 3.0750 3.2601 3.2601 3.4074 3.4074 7.3470 7.3470 9.0029 9.0029 9.4070 9.4070 9.5359 9.5359 10.0165 10.0166 k = 0.0532 0.0307 0.2807 ( 3726 PWs) bands (ev): -34.1242 -34.1242 -34.0927 -34.0927 -15.4284 -15.4284 -15.3201 -15.3201 -15.0627 -15.0627 -14.9653 -14.9653 -14.9417 -14.9417 -14.9012 -14.9012 -9.7207 -9.7207 0.0915 0.0915 2.6111 2.6111 3.0474 3.0474 3.2563 3.2563 3.4174 3.4174 7.2785 7.2785 9.0215 9.0215 9.4177 9.4177 9.6087 9.6087 9.9891 9.9891 k = 0.0638 0.0369 0.2807 ( 3734 PWs) bands (ev): -34.1240 -34.1240 -34.0926 -34.0926 -15.4284 -15.4284 -15.3210 -15.3210 -15.0629 -15.0629 -14.9670 -14.9670 -14.9412 -14.9412 -14.9022 -14.9022 -9.7176 -9.7176 0.1071 0.1071 2.6055 2.6055 3.0161 3.0161 3.2507 3.2507 3.4291 3.4291 7.2010 7.2010 9.0420 9.0420 9.4305 9.4305 9.6877 9.6877 9.9633 9.9633 k = 0.0745 0.0430 0.2807 ( 3738 PWs) bands (ev): -34.1237 -34.1237 -34.0926 -34.0926 -15.4284 -15.4284 -15.3220 -15.3220 -15.0632 -15.0632 -14.9690 -14.9690 -14.9408 -14.9408 -14.9033 -14.9033 -9.7139 -9.7139 0.1255 0.1255 2.5982 2.5982 2.9820 2.9820 3.2436 3.2436 3.4422 3.4422 7.1164 7.1164 9.0633 9.0633 9.4455 9.4455 9.7612 9.7612 9.9508 9.9508 k = 0.0851 0.0491 0.2807 ( 3742 PWs) bands (ev): -34.1234 -34.1234 -34.0925 -34.0925 -15.4284 -15.4284 -15.3232 -15.3232 -15.0636 -15.0636 -14.9711 -14.9711 -14.9405 -14.9405 -14.9046 -14.9046 -9.7097 -9.7097 0.1466 0.1466 2.5884 2.5884 2.9461 2.9461 3.2350 3.2350 3.4564 3.4564 7.0265 7.0265 9.0835 9.0835 9.4626 9.4626 9.8008 9.8008 9.9799 9.9799 k = 0.0957 0.0553 0.2807 ( 3738 PWs) bands (ev): -34.1231 -34.1231 -34.0925 -34.0925 -15.4283 -15.4283 -15.3245 -15.3245 -15.0640 -15.0640 -14.9734 -14.9734 -14.9403 -14.9403 -14.9059 -14.9059 -9.7049 -9.7049 0.1704 0.1704 2.5756 2.5756 2.9094 2.9094 3.2252 3.2252 3.4716 3.4716 6.9327 6.9327 9.1011 9.1011 9.4816 9.4816 9.7985 9.7985 10.0586 10.0586 k = 0.1064 0.0614 0.2807 ( 3740 PWs) bands (ev): -34.1228 -34.1228 -34.0924 -34.0924 -15.4283 -15.4283 -15.3259 -15.3259 -15.0644 -15.0644 -14.9757 -14.9757 -14.9401 -14.9401 -14.9074 -14.9074 -9.6997 -9.6997 0.1969 0.1969 2.5586 2.5586 2.8734 2.8734 3.2144 3.2144 3.4876 3.4876 6.8360 6.8360 9.1141 9.1141 9.5024 9.5024 9.7816 9.7816 10.1224 10.1226 k = 0.1170 0.0676 0.2807 ( 3744 PWs) bands (ev): -34.1224 -34.1224 -34.0923 -34.0923 -15.4283 -15.4283 -15.3275 -15.3275 -15.0649 -15.0649 -14.9782 -14.9782 -14.9401 -14.9401 -14.9090 -14.9090 -9.6940 -9.6940 0.2259 0.2259 2.5363 2.5363 2.8395 2.8395 3.2027 3.2027 3.5044 3.5044 6.7375 6.7375 9.1209 9.1209 9.5247 9.5247 9.7634 9.7634 10.1306 10.1320 k = 0.1277 0.0737 0.2807 ( 3754 PWs) bands (ev): -34.1220 -34.1220 -34.0923 -34.0923 -15.4284 -15.4284 -15.3292 -15.3292 -15.0654 -15.0654 -14.9807 -14.9807 -14.9403 -14.9403 -14.9106 -14.9106 -9.6878 -9.6878 0.2575 0.2575 2.5076 2.5076 2.8092 2.8092 3.1902 3.1902 3.5217 3.5217 6.6377 6.6377 9.1207 9.1207 9.5484 9.5484 9.7475 9.7475 10.1371 10.1379 k = 0.1383 0.0798 0.2807 ( 3752 PWs) bands (ev): -34.1215 -34.1215 -34.0922 -34.0922 -15.4284 -15.4284 -15.3311 -15.3311 -15.0659 -15.0659 -14.9834 -14.9834 -14.9405 -14.9405 -14.9123 -14.9123 -9.6813 -9.6813 0.2915 0.2915 2.4721 2.4721 2.7834 2.7834 3.1771 3.1771 3.5394 3.5394 6.5373 6.5373 9.1135 9.1135 9.5732 9.5732 9.7339 9.7339 10.1446 10.1451 k = 0.1489 0.0860 0.2807 ( 3752 PWs) bands (ev): -34.1210 -34.1210 -34.0921 -34.0921 -15.4284 -15.4284 -15.3330 -15.3330 -15.0664 -15.0664 -14.9860 -14.9860 -14.9410 -14.9410 -14.9139 -14.9139 -9.6743 -9.6743 0.3279 0.3279 2.4298 2.4298 2.7623 2.7623 3.1634 3.1634 3.5575 3.5575 6.4368 6.4368 9.1000 9.1000 9.5987 9.5987 9.7211 9.7211 10.1563 10.1670 k = 0.1596 0.0921 0.2807 ( 3760 PWs) bands (ev): -34.1205 -34.1205 -34.0921 -34.0921 -15.4284 -15.4284 -15.3351 -15.3351 -15.0670 -15.0670 -14.9888 -14.9888 -14.9416 -14.9416 -14.9156 -14.9156 -9.6669 -9.6669 0.3666 0.3666 2.3815 2.3815 2.7456 2.7456 3.1493 3.1493 3.5758 3.5758 6.3364 6.3364 9.0816 9.0816 9.6244 9.6244 9.7074 9.7074 10.1713 10.1732 k = 0.1702 0.0983 0.2807 ( 3760 PWs) bands (ev): -34.1200 -34.1200 -34.0920 -34.0920 -15.4285 -15.4285 -15.3373 -15.3373 -15.0676 -15.0676 -14.9915 -14.9915 -14.9424 -14.9424 -14.9172 -14.9172 -9.6592 -9.6592 0.4076 0.4076 2.3283 2.3283 2.7325 2.7325 3.1347 3.1347 3.5942 3.5942 6.2366 6.2366 9.0601 9.0601 9.6499 9.6499 9.6914 9.6914 10.1879 10.1892 k = 0.1809 0.1044 0.2807 ( 3754 PWs) bands (ev): -34.1194 -34.1194 -34.0919 -34.0919 -15.4285 -15.4285 -15.3396 -15.3396 -15.0682 -15.0682 -14.9943 -14.9943 -14.9433 -14.9433 -14.9188 -14.9188 -9.6512 -9.6512 0.4507 0.4507 2.2715 2.2715 2.7221 2.7221 3.1199 3.1199 3.6126 3.6126 6.1375 6.1375 9.0368 9.0368 9.6717 9.6717 9.6752 9.6752 10.2053 10.2054 k = 0.1915 0.1106 0.2807 ( 3750 PWs) bands (ev): -34.1188 -34.1188 -34.0918 -34.0918 -15.4286 -15.4286 -15.3420 -15.3420 -15.0688 -15.0688 -14.9971 -14.9971 -14.9445 -14.9445 -14.9202 -14.9202 -9.6428 -9.6428 0.4957 0.4957 2.2120 2.2120 2.7139 2.7139 3.1049 3.1049 3.6307 3.6307 6.0394 6.0394 9.0133 9.0133 9.6496 9.6496 9.6982 9.6982 10.2247 10.2259 k = 0.2021 0.1167 0.2807 ( 3758 PWs) bands (ev): -34.1182 -34.1182 -34.0918 -34.0918 -15.4287 -15.4287 -15.3445 -15.3445 -15.0694 -15.0694 -14.9999 -14.9999 -14.9458 -14.9458 -14.9216 -14.9216 -9.6343 -9.6343 0.5427 0.5427 2.1506 2.1506 2.7072 2.7072 3.0898 3.0898 3.6485 3.6485 5.9425 5.9425 8.9904 8.9904 9.6236 9.6236 9.7196 9.7196 10.2466 10.2467 k = 0.2128 0.1228 0.2807 ( 3744 PWs) bands (ev): -34.1176 -34.1176 -34.0917 -34.0917 -15.4288 -15.4288 -15.3471 -15.3471 -15.0700 -15.0700 -15.0027 -15.0027 -14.9473 -14.9473 -14.9229 -14.9229 -9.6255 -9.6255 0.5915 0.5915 2.0881 2.0881 2.7019 2.7019 3.0746 3.0746 3.6658 3.6658 5.8470 5.8470 8.9693 8.9693 9.5945 9.5945 9.7385 9.7385 10.2722 10.2723 k = 0.2234 0.1290 0.2807 ( 3746 PWs) bands (ev): -34.1170 -34.1170 -34.0917 -34.0917 -15.4289 -15.4289 -15.3497 -15.3497 -15.0706 -15.0706 -15.0055 -15.0055 -14.9490 -14.9490 -14.9241 -14.9241 -9.6166 -9.6166 0.6419 0.6419 2.0251 2.0251 2.6974 2.6974 3.0594 3.0594 3.6824 3.6824 5.7529 5.7529 8.9503 8.9503 9.5627 9.5627 9.7543 9.7543 10.3017 10.3017 k = 0.2340 0.1351 0.2807 ( 3742 PWs) bands (ev): -34.1163 -34.1163 -34.0916 -34.0916 -15.4291 -15.4291 -15.3524 -15.3524 -15.0712 -15.0712 -15.0083 -15.0083 -14.9507 -14.9507 -14.9252 -14.9252 -9.6075 -9.6075 0.6938 0.6938 1.9620 1.9620 2.6939 2.6939 3.0444 3.0444 3.6981 3.6981 5.6606 5.6606 8.9343 8.9343 9.5286 9.5286 9.7668 9.7668 10.3354 10.3361 k = 0.2447 0.1413 0.2807 ( 3738 PWs) bands (ev): -34.1157 -34.1157 -34.0916 -34.0916 -15.4292 -15.4292 -15.3552 -15.3552 -15.0717 -15.0717 -15.0111 -15.0111 -14.9526 -14.9526 -14.9262 -14.9262 -9.5983 -9.5983 0.7470 0.7470 1.8993 1.8993 2.6910 2.6910 3.0295 3.0295 3.7127 3.7127 5.5701 5.5701 8.9214 8.9214 9.4926 9.4926 9.7760 9.7760 10.3735 10.3826 k = 0.2553 0.1474 0.2807 ( 3734 PWs) bands (ev): -34.1150 -34.1150 -34.0915 -34.0915 -15.4294 -15.4294 -15.3580 -15.3580 -15.0723 -15.0723 -15.0138 -15.0138 -14.9545 -14.9545 -14.9272 -14.9272 -9.5890 -9.5890 0.8012 0.8012 1.8374 1.8374 2.6887 2.6887 3.0149 3.0149 3.7260 3.7260 5.4816 5.4816 8.9120 8.9120 9.4552 9.4552 9.7819 9.7819 10.4134 10.4147 k = 0.2660 0.1536 0.2807 ( 3734 PWs) bands (ev): -34.1143 -34.1143 -34.0915 -34.0915 -15.4295 -15.4295 -15.3608 -15.3608 -15.0728 -15.0728 -15.0165 -15.0165 -14.9564 -14.9564 -14.9281 -14.9281 -9.5798 -9.5798 0.8564 0.8564 1.7767 1.7767 2.6871 2.6871 3.0007 3.0007 3.7377 3.7377 5.3952 5.3952 8.9062 8.9062 9.4167 9.4167 9.7849 9.7849 10.4368 10.4369 k = 0.2766 0.1597 0.2807 ( 3746 PWs) bands (ev): -34.1136 -34.1136 -34.0915 -34.0915 -15.4297 -15.4297 -15.3637 -15.3637 -15.0734 -15.0734 -15.0191 -15.0191 -14.9585 -14.9585 -14.9290 -14.9290 -9.5705 -9.5705 0.9121 0.9121 1.7175 1.7175 2.6860 2.6860 2.9869 2.9869 3.7476 3.7476 5.3112 5.3112 8.9041 8.9041 9.3776 9.3776 9.7851 9.7851 10.4567 10.4567 k = 0.2872 0.1658 0.2807 ( 3742 PWs) bands (ev): -34.1129 -34.1129 -34.0915 -34.0915 -15.4299 -15.4299 -15.3666 -15.3666 -15.0738 -15.0738 -15.0217 -15.0217 -14.9604 -14.9604 -14.9299 -14.9299 -9.5614 -9.5614 0.9679 0.9679 1.6602 1.6602 2.6856 2.6856 2.9735 2.9735 3.7555 3.7555 5.2299 5.2299 8.9057 8.9057 9.3383 9.3383 9.7832 9.7832 10.4760 10.4760 k = 0.2979 0.1720 0.2807 ( 3742 PWs) bands (ev): -34.1123 -34.1123 -34.0915 -34.0915 -15.4301 -15.4301 -15.3695 -15.3695 -15.0743 -15.0743 -15.0242 -15.0242 -14.9624 -14.9624 -14.9307 -14.9307 -9.5523 -9.5523 1.0235 1.0235 1.6055 1.6055 2.6858 2.6858 2.9608 2.9608 3.7611 3.7611 5.1514 5.1514 8.9107 8.9107 9.2993 9.2993 9.7794 9.7794 10.4951 10.4951 k = 0.3085 0.1781 0.2807 ( 3748 PWs) bands (ev): -34.1116 -34.1116 -34.0915 -34.0915 -15.4303 -15.4303 -15.3724 -15.3724 -15.0747 -15.0747 -15.0267 -15.0267 -14.9643 -14.9643 -14.9315 -14.9315 -9.5434 -9.5434 1.0779 1.0779 1.5540 1.5540 2.6867 2.6867 2.9488 2.9488 3.7640 3.7640 5.0760 5.0760 8.9191 8.9191 9.2611 9.2611 9.7742 9.7742 10.5143 10.5143 k = 0.3191 0.1843 0.2807 ( 3732 PWs) bands (ev): -34.1109 -34.1109 -34.0916 -34.0916 -15.4304 -15.4304 -15.3752 -15.3752 -15.0751 -15.0751 -15.0291 -15.0291 -14.9661 -14.9661 -14.9322 -14.9322 -9.5347 -9.5347 1.1299 1.1299 1.5070 1.5070 2.6883 2.6883 2.9375 2.9375 3.7639 3.7639 5.0040 5.0040 8.9303 8.9303 9.2242 9.2242 9.7679 9.7679 10.5339 10.5339 k = 0.3298 0.1904 0.2807 ( 3732 PWs) bands (ev): -34.1102 -34.1102 -34.0916 -34.0916 -15.4306 -15.4306 -15.3780 -15.3780 -15.0754 -15.0754 -15.0314 -15.0314 -14.9679 -14.9679 -14.9330 -14.9330 -9.5262 -9.5262 1.1768 1.1768 1.4670 1.4670 2.6908 2.6908 2.9272 2.9272 3.7605 3.7605 4.9358 4.9358 8.9435 8.9435 9.1896 9.1896 9.7607 9.7607 10.5537 10.5537 k = 0.3404 0.1965 0.2807 ( 3728 PWs) bands (ev): -34.1096 -34.1096 -34.0917 -34.0917 -15.4307 -15.4307 -15.3808 -15.3808 -15.0757 -15.0757 -15.0336 -15.0336 -14.9695 -14.9695 -14.9336 -14.9336 -9.5180 -9.5180 1.2131 1.2131 1.4394 1.4394 2.6940 2.6940 2.9179 2.9179 3.7535 3.7535 4.8718 4.8718 8.9574 8.9574 9.1584 9.1584 9.7530 9.7530 10.5738 10.5738 k = 0.3511 0.2027 0.2807 ( 3728 PWs) bands (ev): -34.1089 -34.1089 -34.0917 -34.0917 -15.4308 -15.4308 -15.3835 -15.3835 -15.0760 -15.0760 -15.0357 -15.0357 -14.9712 -14.9712 -14.9343 -14.9343 -9.5101 -9.5101 1.2300 1.2300 1.4328 1.4328 2.6982 2.6982 2.9098 2.9098 3.7425 3.7425 4.8123 4.8123 8.9694 8.9694 9.1333 9.1333 9.7449 9.7449 10.5943 10.5943 k = 0.3617 0.2088 0.2807 ( 3736 PWs) bands (ev): -34.1083 -34.1083 -34.0918 -34.0918 -15.4309 -15.4309 -15.3861 -15.3861 -15.0762 -15.0762 -15.0378 -15.0378 -14.9727 -14.9727 -14.9350 -14.9350 -9.5025 -9.5025 1.2235 1.2235 1.4509 1.4509 2.7032 2.7032 2.9032 2.9032 3.7272 3.7272 4.7576 4.7576 8.9754 8.9754 9.1182 9.1182 9.7367 9.7367 10.6148 10.6148 k = 0.3723 0.2150 0.2807 ( 3736 PWs) bands (ev): -34.1077 -34.1077 -34.0919 -34.0919 -15.4310 -15.4310 -15.3887 -15.3887 -15.0764 -15.0764 -15.0397 -15.0397 -14.9741 -14.9741 -14.9356 -14.9356 -9.4954 -9.4954 1.2017 1.2017 1.4853 1.4853 2.7091 2.7091 2.8982 2.8982 3.7075 3.7075 4.7080 4.7080 8.9712 8.9712 9.1171 9.1171 9.7286 9.7286 10.6354 10.6354 k = 0.3830 0.2211 0.2807 ( 3736 PWs) bands (ev): -34.1071 -34.1071 -34.0920 -34.0920 -15.4310 -15.4310 -15.3911 -15.3911 -15.0765 -15.0765 -15.0415 -15.0415 -14.9754 -14.9754 -14.9362 -14.9362 -9.4886 -9.4886 1.1738 1.1738 1.5265 1.5265 2.7156 2.7156 2.8954 2.8954 3.6833 3.6833 4.6638 4.6638 8.9572 8.9572 9.1290 9.1290 9.7206 9.7206 10.6559 10.6559 k = 0.3936 0.2273 0.2807 ( 3728 PWs) bands (ev): -34.1065 -34.1065 -34.0921 -34.0921 -15.4310 -15.4310 -15.3934 -15.3934 -15.0766 -15.0766 -15.0432 -15.0432 -14.9765 -14.9765 -14.9367 -14.9367 -9.4824 -9.4824 1.1447 1.1447 1.5694 1.5694 2.7225 2.7225 2.8952 2.8952 3.6548 3.6548 4.6248 4.6248 8.9381 8.9381 9.1492 9.1492 9.7130 9.7130 10.6759 10.6759 k = 0.4043 0.2334 0.2807 ( 3732 PWs) bands (ev): -34.1060 -34.1060 -34.0922 -34.0922 -15.4310 -15.4310 -15.3956 -15.3956 -15.0766 -15.0766 -15.0448 -15.0448 -14.9776 -14.9776 -14.9372 -14.9372 -9.4766 -9.4766 1.1164 1.1164 1.6114 1.6114 2.7295 2.7295 2.8980 2.8980 3.6224 3.6224 4.5911 4.5911 8.9172 8.9172 9.1736 9.1736 9.7058 9.7058 10.6952 10.6952 k = 0.4149 0.2395 0.2807 ( 3728 PWs) bands (ev): -34.1055 -34.1055 -34.0923 -34.0923 -15.4309 -15.4309 -15.3976 -15.3976 -15.0767 -15.0767 -15.0462 -15.0462 -14.9786 -14.9786 -14.9377 -14.9377 -9.4713 -9.4713 1.0900 1.0900 1.6512 1.6512 2.7360 2.7360 2.9045 2.9045 3.5864 3.5864 4.5624 4.5624 8.8967 8.8967 9.1997 9.1997 9.6992 9.6992 10.7136 10.7136 k = 0.4255 0.2457 0.2807 ( 3728 PWs) bands (ev): -34.1051 -34.1051 -34.0924 -34.0924 -15.4308 -15.4308 -15.3995 -15.3995 -15.0767 -15.0767 -15.0476 -15.0476 -14.9794 -14.9794 -14.9381 -14.9381 -9.4666 -9.4666 1.0661 1.0661 1.6878 1.6878 2.7417 2.7417 2.9151 2.9151 3.5478 3.5478 4.5383 4.5383 8.8775 8.8775 9.2259 9.2259 9.6931 9.6931 10.7308 10.7308 k = 0.4362 0.2518 0.2807 ( 3724 PWs) bands (ev): -34.1047 -34.1047 -34.0925 -34.0925 -15.4307 -15.4307 -15.4011 -15.4011 -15.0767 -15.0767 -15.0487 -15.0487 -14.9802 -14.9802 -14.9385 -14.9385 -9.4625 -9.4625 1.0449 1.0449 1.7205 1.7205 2.7463 2.7463 2.9298 2.9298 3.5073 3.5073 4.5186 4.5186 8.8603 8.8603 9.2509 9.2509 9.6878 9.6878 10.7464 10.7464 k = 0.4468 0.2580 0.2807 ( 3724 PWs) bands (ev): -34.1043 -34.1043 -34.0926 -34.0926 -15.4305 -15.4305 -15.4026 -15.4026 -15.0766 -15.0766 -15.0497 -15.0497 -14.9808 -14.9808 -14.9388 -14.9388 -9.4590 -9.4590 1.0268 1.0268 1.7489 1.7489 2.7497 2.7497 2.9482 2.9482 3.4662 3.4662 4.5027 4.5027 8.8453 8.8453 9.2739 9.2739 9.6831 9.6831 10.7603 10.7603 k = 0.4574 0.2641 0.2807 ( 3726 PWs) bands (ev): -34.1040 -34.1040 -34.0927 -34.0927 -15.4304 -15.4304 -15.4039 -15.4039 -15.0766 -15.0766 -15.0505 -15.0505 -14.9813 -14.9813 -14.9391 -14.9391 -9.4561 -9.4561 1.0118 1.0118 1.7726 1.7726 2.7520 2.7520 2.9695 2.9695 3.4260 3.4260 4.4903 4.4903 8.8327 8.8327 9.2939 9.2939 9.6793 9.6793 10.7720 10.7720 k = 0.4681 0.2702 0.2807 ( 3720 PWs) bands (ev): -34.1038 -34.1038 -34.0928 -34.0928 -15.4302 -15.4302 -15.4048 -15.4048 -15.0765 -15.0765 -15.0512 -15.0512 -14.9817 -14.9817 -14.9393 -14.9393 -9.4538 -9.4538 1.0000 1.0000 1.7912 1.7912 2.7536 2.7536 2.9917 2.9917 3.3887 3.3887 4.4810 4.4810 8.8229 8.8229 9.3103 9.3103 9.6763 9.6763 10.7814 10.7814 k = 0.4787 0.2764 0.2807 ( 3714 PWs) bands (ev): -34.1036 -34.1036 -34.0929 -34.0929 -15.4301 -15.4301 -15.4056 -15.4056 -15.0765 -15.0765 -15.0517 -15.0517 -14.9819 -14.9819 -14.9394 -14.9394 -9.4521 -9.4521 0.9916 0.9916 1.8047 1.8047 2.7545 2.7545 3.0124 3.0124 3.3573 3.3573 4.4746 4.4746 8.8158 8.8158 9.3224 9.3224 9.6741 9.6741 10.7884 10.7884 k = 0.4894 0.2825 0.2807 ( 3722 PWs) bands (ev): -34.1035 -34.1035 -34.0929 -34.0929 -15.4301 -15.4301 -15.4060 -15.4060 -15.0765 -15.0765 -15.0520 -15.0520 -14.9821 -14.9821 -14.9395 -14.9395 -9.4512 -9.4512 0.9865 0.9865 1.8128 1.8128 2.7549 2.7549 3.0277 3.0277 3.3355 3.3355 4.4709 4.4709 8.8115 8.8115 9.3299 9.3299 9.6727 9.6727 10.7925 10.7925 k = 0.5000 0.2887 0.2807 ( 3716 PWs) bands (ev): -34.1034 -34.1034 -34.0929 -34.0929 -15.4300 -15.4300 -15.4061 -15.4061 -15.0765 -15.0765 -15.0520 -15.0520 -14.9821 -14.9821 -14.9395 -14.9395 -9.4508 -9.4508 0.9848 0.9848 1.8155 1.8155 2.7551 2.7551 3.0334 3.0334 3.3275 3.3275 4.4697 4.4697 8.8101 8.8101 9.3324 9.3324 9.6723 9.6723 10.7940 10.7940 k = 0.5000 0.2887 0.2807 ( 3716 PWs) bands (ev): -34.1034 -34.1034 -34.0929 -34.0929 -15.4300 -15.4300 -15.4061 -15.4061 -15.0765 -15.0765 -15.0520 -15.0520 -14.9821 -14.9821 -14.9395 -14.9395 -9.4508 -9.4508 0.9848 0.9848 1.8155 1.8155 2.7551 2.7551 3.0334 3.0334 3.3275 3.3275 4.4697 4.4697 8.8101 8.8101 9.3324 9.3324 9.6723 9.6723 10.7940 10.7940 k = 0.4938 0.2994 0.2807 ( 3720 PWs) bands (ev): -34.1034 -34.1034 -34.0929 -34.0929 -15.4300 -15.4300 -15.4062 -15.4062 -15.0765 -15.0765 -15.0520 -15.0520 -14.9822 -14.9822 -14.9396 -14.9396 -9.4507 -9.4507 0.9856 0.9856 1.8157 1.8157 2.7522 2.7522 3.0343 3.0343 3.3280 3.3280 4.4687 4.4687 8.8139 8.8139 9.3330 9.3330 9.6722 9.6722 10.7940 10.7940 k = 0.4877 0.3101 0.2807 ( 3712 PWs) bands (ev): -34.1034 -34.1034 -34.0929 -34.0929 -15.4299 -15.4299 -15.4062 -15.4062 -15.0768 -15.0768 -15.0517 -15.0517 -14.9823 -14.9823 -14.9398 -14.9398 -9.4504 -9.4504 0.9881 0.9881 1.8164 1.8164 2.7435 2.7435 3.0368 3.0368 3.3293 3.3293 4.4660 4.4660 8.8253 8.8253 9.3349 9.3349 9.6719 9.6719 10.7940 10.7940 k = 0.4815 0.3208 0.2807 ( 3712 PWs) bands (ev): -34.1033 -34.1033 -34.0929 -34.0929 -15.4298 -15.4298 -15.4062 -15.4062 -15.0772 -15.0772 -15.0514 -15.0514 -14.9825 -14.9825 -14.9402 -14.9402 -9.4498 -9.4498 0.9923 0.9923 1.8176 1.8176 2.7292 2.7292 3.0409 3.0409 3.3316 3.3316 4.4615 4.4615 8.8441 8.8441 9.3380 9.3380 9.6715 9.6715 10.7941 10.7941 k = 0.4753 0.3314 0.2807 ( 3716 PWs) bands (ev): -34.1032 -34.1032 -34.0930 -34.0930 -15.4297 -15.4297 -15.4062 -15.4062 -15.0777 -15.0777 -15.0509 -15.0509 -14.9829 -14.9829 -14.9407 -14.9407 -9.4491 -9.4491 0.9981 0.9981 1.8192 1.8192 2.7095 2.7095 3.0467 3.0467 3.3348 3.3348 4.4551 4.4551 8.8699 8.8699 9.3423 9.3423 9.6710 9.6710 10.7943 10.7943 k = 0.4691 0.3421 0.2807 ( 3716 PWs) bands (ev): -34.1031 -34.1031 -34.0930 -34.0930 -15.4295 -15.4295 -15.4062 -15.4062 -15.0784 -15.0784 -15.0503 -15.0503 -14.9833 -14.9833 -14.9414 -14.9414 -9.4481 -9.4481 1.0055 1.0055 1.8213 1.8213 2.6847 2.6847 3.0540 3.0540 3.3389 3.3389 4.4468 4.4468 8.9024 8.9024 9.3479 9.3479 9.6704 9.6704 10.7947 10.7947 k = 0.4630 0.3528 0.2807 ( 3716 PWs) bands (ev): -34.1030 -34.1030 -34.0931 -34.0931 -15.4293 -15.4293 -15.4063 -15.4063 -15.0791 -15.0791 -15.0495 -15.0495 -14.9838 -14.9838 -14.9421 -14.9421 -9.4469 -9.4469 1.0145 1.0145 1.8237 1.8237 2.6553 2.6553 3.0628 3.0628 3.3439 3.3439 4.4367 4.4367 8.9410 8.9410 9.3548 9.3548 9.6699 9.6699 10.7954 10.7954 k = 0.4568 0.3635 0.2807 ( 3720 PWs) bands (ev): -34.1029 -34.1029 -34.0931 -34.0931 -15.4290 -15.4290 -15.4063 -15.4063 -15.0800 -15.0800 -15.0487 -15.0487 -14.9844 -14.9844 -14.9430 -14.9430 -9.4456 -9.4456 1.0252 1.0252 1.8265 1.8265 2.6214 2.6214 3.0729 3.0729 3.3499 3.3499 4.4246 4.4246 8.9850 8.9850 9.3629 9.3629 9.6696 9.6696 10.7966 10.7966 k = 0.4506 0.3742 0.2807 ( 3720 PWs) bands (ev): -34.1027 -34.1027 -34.0932 -34.0932 -15.4288 -15.4288 -15.4064 -15.4064 -15.0810 -15.0810 -15.0478 -15.0478 -14.9852 -14.9852 -14.9439 -14.9439 -9.4441 -9.4441 1.0374 1.0374 1.8296 1.8296 2.5838 2.5838 3.0845 3.0845 3.3567 3.3567 4.4105 4.4105 9.0339 9.0339 9.3724 9.3724 9.6694 9.6694 10.7984 10.7984 k = 0.4444 0.3849 0.2807 ( 3724 PWs) bands (ev): -34.1025 -34.1025 -34.0933 -34.0933 -15.4284 -15.4284 -15.4065 -15.4065 -15.0820 -15.0820 -15.0468 -15.0468 -14.9860 -14.9860 -14.9450 -14.9450 -9.4424 -9.4424 1.0511 1.0511 1.8330 1.8330 2.5427 2.5427 3.0974 3.0974 3.3645 3.3645 4.3945 4.3945 9.0866 9.0866 9.3832 9.3832 9.6696 9.6696 10.8009 10.8009 k = 0.4383 0.3956 0.2807 ( 3720 PWs) bands (ev): -34.1023 -34.1023 -34.0933 -34.0933 -15.4281 -15.4281 -15.4066 -15.4066 -15.0830 -15.0830 -15.0457 -15.0457 -14.9869 -14.9869 -14.9461 -14.9461 -9.4406 -9.4406 1.0663 1.0663 1.8366 1.8366 2.4987 2.4987 3.1115 3.1115 3.3731 3.3731 4.3765 4.3765 9.1424 9.1424 9.3952 9.3952 9.6703 9.6703 10.8044 10.8044 k = 0.4321 0.4063 0.2807 ( 3716 PWs) bands (ev): -34.1021 -34.1021 -34.0934 -34.0934 -15.4277 -15.4277 -15.4067 -15.4067 -15.0841 -15.0841 -15.0445 -15.0445 -14.9879 -14.9879 -14.9472 -14.9472 -9.4387 -9.4387 1.0830 1.0830 1.8403 1.8403 2.4524 2.4524 3.1269 3.1269 3.3826 3.3826 4.3565 4.3565 9.2003 9.2003 9.4086 9.4086 9.6715 9.6715 10.8090 10.8090 k = 0.4259 0.4170 0.2807 ( 3708 PWs) bands (ev): -34.1018 -34.1018 -34.0935 -34.0935 -15.4273 -15.4273 -15.4068 -15.4068 -15.0852 -15.0852 -15.0433 -15.0433 -14.9890 -14.9890 -14.9484 -14.9484 -9.4367 -9.4367 1.1010 1.1010 1.8441 1.8441 2.4043 2.4043 3.1434 3.1434 3.3928 3.3928 4.3344 4.3344 9.2595 9.2595 9.4233 9.4233 9.6733 9.6733 10.8150 10.8151 k = 0.4198 0.4277 0.2807 ( 3712 PWs) bands (ev): -34.1016 -34.1016 -34.0936 -34.0936 -15.4269 -15.4269 -15.4070 -15.4070 -15.0863 -15.0863 -15.0420 -15.0420 -14.9903 -14.9903 -14.9495 -14.9495 -9.4346 -9.4346 1.1204 1.1204 1.8477 1.8477 2.3549 2.3549 3.1610 3.1610 3.4038 3.4038 4.3104 4.3104 9.3188 9.3188 9.4392 9.4392 9.6757 9.6757 10.8227 10.8227 k = 0.4136 0.4384 0.2807 ( 3716 PWs) bands (ev): -34.1013 -34.1013 -34.0938 -34.0938 -15.4265 -15.4265 -15.4072 -15.4072 -15.0874 -15.0874 -15.0407 -15.0407 -14.9916 -14.9916 -14.9507 -14.9507 -9.4325 -9.4325 1.1410 1.1410 1.8510 1.8510 2.3049 2.3049 3.1796 3.1796 3.4155 3.4155 4.2845 4.2845 9.3772 9.3772 9.4563 9.4563 9.6787 9.6787 10.8322 10.8322 k = 0.4074 0.4491 0.2807 ( 3712 PWs) bands (ev): -34.1010 -34.1010 -34.0939 -34.0939 -15.4261 -15.4261 -15.4074 -15.4074 -15.0885 -15.0885 -15.0393 -15.0393 -14.9930 -14.9930 -14.9518 -14.9518 -9.4303 -9.4303 1.1628 1.1628 1.8538 1.8538 2.2551 2.2551 3.1992 3.1992 3.4277 3.4277 4.2567 4.2567 9.4336 9.4336 9.4749 9.4749 9.6825 9.6825 10.8438 10.8438 k = 0.4012 0.4597 0.2807 ( 3712 PWs) bands (ev): -34.1007 -34.1007 -34.0941 -34.0941 -15.4256 -15.4256 -15.4077 -15.4077 -15.0896 -15.0896 -15.0379 -15.0379 -14.9946 -14.9946 -14.9528 -14.9528 -9.4282 -9.4282 1.1857 1.1857 1.8557 1.8557 2.2061 2.2061 3.2196 3.2196 3.4404 3.4404 4.2272 4.2272 9.4838 9.4838 9.4979 9.4979 9.6869 9.6869 10.8575 10.8576 k = 0.3951 0.4704 0.2807 ( 3716 PWs) bands (ev): -34.1004 -34.1004 -34.0942 -34.0942 -15.4252 -15.4252 -15.4080 -15.4080 -15.0906 -15.0906 -15.0364 -15.0364 -14.9962 -14.9962 -14.9538 -14.9538 -9.4261 -9.4261 1.2094 1.2094 1.8562 1.8562 2.1588 2.1588 3.2408 3.2408 3.4533 3.4533 4.1961 4.1961 9.5108 9.5108 9.5410 9.5410 9.6920 9.6920 10.8735 10.8735 k = 0.3889 0.4811 0.2807 ( 3720 PWs) bands (ev): -34.1000 -34.1000 -34.0944 -34.0944 -15.4248 -15.4248 -15.4083 -15.4083 -15.0916 -15.0916 -15.0349 -15.0349 -14.9979 -14.9979 -14.9547 -14.9547 -9.4241 -9.4241 1.2339 1.2339 1.8544 1.8544 2.1147 2.1147 3.2627 3.2627 3.4663 3.4663 4.1638 4.1638 9.5318 9.5318 9.5863 9.5863 9.6976 9.6976 10.8917 10.8917 k = 0.3827 0.4918 0.2807 ( 3720 PWs) bands (ev): -34.0997 -34.0997 -34.0946 -34.0946 -15.4244 -15.4244 -15.4086 -15.4086 -15.0925 -15.0925 -15.0334 -15.0334 -14.9996 -14.9996 -14.9556 -14.9556 -9.4221 -9.4221 1.2590 1.2590 1.8494 1.8494 2.0750 2.0750 3.2852 3.2852 3.4789 3.4789 4.1307 4.1307 9.5528 9.5528 9.6267 9.6267 9.7039 9.7039 10.9118 10.9118 k = 0.3765 0.5025 0.2807 ( 3724 PWs) bands (ev): -34.0994 -34.0994 -34.0948 -34.0948 -15.4240 -15.4240 -15.4089 -15.4089 -15.0933 -15.0933 -15.0319 -15.0319 -15.0014 -15.0014 -14.9563 -14.9563 -9.4203 -9.4203 1.2842 1.2842 1.8397 1.8397 2.0418 2.0418 3.3083 3.3083 3.4909 3.4909 4.0972 4.0972 9.5736 9.5736 9.6608 9.6608 9.7111 9.7111 10.9335 10.9335 k = 0.3704 0.5132 0.2807 ( 3726 PWs) bands (ev): -34.0990 -34.0990 -34.0951 -34.0951 -15.4236 -15.4236 -15.4093 -15.4093 -15.0940 -15.0940 -15.0303 -15.0303 -15.0032 -15.0032 -14.9570 -14.9570 -9.4186 -9.4186 1.3093 1.3093 1.8246 1.8246 2.0163 2.0163 3.3317 3.3317 3.5015 3.5015 4.0641 4.0641 9.5943 9.5943 9.6872 9.6872 9.7199 9.7199 10.9558 10.9559 k = 0.3642 0.5239 0.2807 ( 3726 PWs) bands (ev): -34.0986 -34.0986 -34.0953 -34.0953 -15.4232 -15.4232 -15.4096 -15.4096 -15.0947 -15.0947 -15.0289 -15.0289 -15.0049 -15.0049 -14.9575 -14.9575 -9.4172 -9.4172 1.3336 1.3336 1.8045 1.8045 1.9988 1.9988 3.3556 3.3556 3.5099 3.5099 4.0324 4.0324 9.6144 9.6144 9.7044 9.7044 9.7312 9.7312 10.9783 10.9787 k = 0.3580 0.5346 0.2807 ( 3742 PWs) bands (ev): -34.0983 -34.0983 -34.0956 -34.0956 -15.4229 -15.4229 -15.4100 -15.4100 -15.0952 -15.0952 -15.0275 -15.0275 -15.0066 -15.0066 -14.9580 -14.9580 -9.4159 -9.4159 1.3564 1.3564 1.7817 1.7817 1.9879 1.9879 3.3797 3.3797 3.5151 3.5151 4.0032 4.0032 9.6335 9.6335 9.7142 9.7142 9.7428 9.7428 10.9999 11.0001 k = 0.3519 0.5453 0.2807 ( 3738 PWs) bands (ev): -34.0979 -34.0979 -34.0959 -34.0959 -15.4227 -15.4227 -15.4103 -15.4103 -15.0956 -15.0956 -15.0262 -15.0262 -15.0081 -15.0081 -14.9583 -14.9583 -9.4148 -9.4148 1.3764 1.3764 1.7592 1.7592 1.9818 1.9818 3.4039 3.4039 3.5157 3.5157 3.9782 3.9782 9.6514 9.6514 9.7203 9.7203 9.7511 9.7511 11.0205 11.0235 k = 0.3457 0.5560 0.2807 ( 3734 PWs) bands (ev): -34.0976 -34.0976 -34.0962 -34.0962 -15.4224 -15.4224 -15.4105 -15.4105 -15.0959 -15.0959 -15.0251 -15.0251 -15.0093 -15.0093 -14.9586 -14.9586 -9.4141 -9.4141 1.3925 1.3925 1.7403 1.7403 1.9787 1.9787 3.4282 3.4282 3.5102 3.5102 3.9590 3.9590 9.6673 9.6673 9.7239 9.7239 9.7548 9.7548 11.0391 11.0414 k = 0.3395 0.5667 0.2807 ( 3738 PWs) bands (ev): -34.0972 -34.0972 -34.0965 -34.0965 -15.4223 -15.4223 -15.4107 -15.4107 -15.0961 -15.0961 -15.0244 -15.0244 -15.0101 -15.0101 -14.9587 -14.9587 -9.4136 -9.4136 1.4028 1.4028 1.7277 1.7277 1.9773 1.9773 3.4524 3.4524 3.4977 3.4977 3.9470 3.9470 9.6798 9.6798 9.7252 9.7252 9.7549 9.7549 11.0557 11.0569 k = 0.3333 0.5774 0.2807 ( 3738 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4223 -15.4223 -15.4107 -15.4107 -15.0962 -15.0962 -15.0241 -15.0241 -15.0104 -15.0104 -14.9588 -14.9588 -9.4134 -9.4134 1.4063 1.4063 1.7234 1.7234 1.9770 1.9770 3.4731 3.4731 3.4809 3.4809 3.9430 3.9430 9.6855 9.6855 9.7247 9.7247 9.7543 9.7543 11.0670 11.0753 k = 0.3333 0.5774 0.2807 ( 3738 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4223 -15.4223 -15.4107 -15.4107 -15.0962 -15.0962 -15.0241 -15.0241 -15.0104 -15.0104 -14.9588 -14.9588 -9.4134 -9.4134 1.4063 1.4063 1.7234 1.7234 1.9770 1.9770 3.4731 3.4731 3.4809 3.4809 3.9430 3.9430 9.6855 9.6855 9.7247 9.7247 9.7543 9.7543 11.0672 11.0685 k = 0.3272 0.5667 0.2807 ( 3738 PWs) bands (ev): -34.0972 -34.0972 -34.0965 -34.0965 -15.4223 -15.4223 -15.4107 -15.4107 -15.0961 -15.0961 -15.0243 -15.0243 -15.0101 -15.0101 -14.9587 -14.9587 -9.4136 -9.4136 1.4030 1.4030 1.7276 1.7276 1.9772 1.9772 3.4490 3.4490 3.5013 3.5013 3.9469 3.9469 9.6779 9.6779 9.7267 9.7267 9.7554 9.7554 11.0456 11.0456 k = 0.3210 0.5560 0.2807 ( 3734 PWs) bands (ev): -34.0976 -34.0976 -34.0962 -34.0962 -15.4225 -15.4225 -15.4105 -15.4105 -15.0959 -15.0959 -15.0250 -15.0250 -15.0093 -15.0093 -14.9586 -14.9586 -9.4141 -9.4141 1.3940 1.3940 1.7393 1.7393 1.9779 1.9779 3.4152 3.4152 3.5249 3.5249 3.9579 3.9579 9.6568 9.6568 9.7317 9.7317 9.7587 9.7587 11.0056 11.0056 k = 0.3148 0.5453 0.2807 ( 3738 PWs) bands (ev): -34.0980 -34.0980 -34.0958 -34.0958 -15.4227 -15.4227 -15.4101 -15.4101 -15.0956 -15.0956 -15.0260 -15.0260 -15.0081 -15.0081 -14.9583 -14.9583 -9.4150 -9.4150 1.3812 1.3812 1.7562 1.7562 1.9792 1.9792 3.3765 3.3765 3.5483 3.5483 3.9752 3.9752 9.6261 9.6261 9.7366 9.7366 9.7638 9.7638 10.9598 10.9598 k = 0.3086 0.5346 0.2807 ( 3734 PWs) bands (ev): -34.0984 -34.0984 -34.0955 -34.0955 -15.4231 -15.4231 -15.4096 -15.4096 -15.0952 -15.0952 -15.0272 -15.0272 -15.0066 -15.0066 -14.9580 -14.9580 -9.4164 -9.4164 1.3665 1.3665 1.7757 1.7757 1.9817 1.9817 3.3343 3.3343 3.5711 3.5711 3.9976 3.9976 9.5886 9.5886 9.7407 9.7407 9.7702 9.7702 10.9115 10.9115 k = 0.3025 0.5239 0.2807 ( 3730 PWs) bands (ev): -34.0989 -34.0989 -34.0952 -34.0952 -15.4235 -15.4235 -15.4090 -15.4090 -15.0947 -15.0947 -15.0284 -15.0284 -15.0050 -15.0050 -14.9576 -14.9576 -9.4181 -9.4181 1.3514 1.3514 1.7952 1.7952 1.9863 1.9863 3.2898 3.2898 3.5934 3.5934 4.0243 4.0243 9.5459 9.5459 9.7440 9.7440 9.7771 9.7771 10.8618 10.8618 k = 0.2963 0.5132 0.2807 ( 3722 PWs) bands (ev): -34.0994 -34.0994 -34.0948 -34.0948 -15.4239 -15.4239 -15.4082 -15.4082 -15.0940 -15.0940 -15.0296 -15.0296 -15.0032 -15.0032 -14.9571 -14.9571 -9.4202 -9.4202 1.3371 1.3371 1.8115 1.8115 1.9947 1.9947 3.2443 3.2443 3.6151 3.6151 4.0547 4.0547 9.4991 9.4991 9.7471 9.7471 9.7842 9.7842 10.8116 10.8116 k = 0.2901 0.5025 0.2807 ( 3722 PWs) bands (ev): -34.0998 -34.0998 -34.0945 -34.0945 -15.4244 -15.4244 -15.4072 -15.4072 -15.0933 -15.0933 -15.0307 -15.0307 -15.0013 -15.0013 -14.9565 -14.9565 -9.4228 -9.4228 1.3242 1.3242 1.8220 1.8220 2.0086 2.0086 3.1986 3.1986 3.6360 3.6360 4.0883 4.0883 9.4492 9.4492 9.7503 9.7503 9.7913 9.7913 10.7614 10.7614 k = 0.2840 0.4918 0.2807 ( 3718 PWs) bands (ev): -34.1003 -34.1003 -34.0942 -34.0942 -15.4249 -15.4249 -15.4062 -15.4062 -15.0925 -15.0925 -15.0318 -15.0318 -14.9994 -14.9994 -14.9558 -14.9558 -9.4259 -9.4259 1.3132 1.3132 1.8250 1.8250 2.0289 2.0289 3.1535 3.1535 3.6560 3.6560 4.1248 4.1248 9.3973 9.3973 9.7540 9.7540 9.7984 9.7984 10.7115 10.7115 k = 0.2778 0.4811 0.2807 ( 3704 PWs) bands (ev): -34.1009 -34.1009 -34.0940 -34.0940 -15.4254 -15.4254 -15.4050 -15.4050 -15.0916 -15.0916 -15.0328 -15.0328 -14.9974 -14.9974 -14.9550 -14.9550 -9.4294 -9.4294 1.3047 1.3047 1.8202 1.8202 2.0551 2.0551 3.1098 3.1098 3.6751 3.6751 4.1639 4.1639 9.3441 9.3441 9.7583 9.7583 9.8057 9.8057 10.6622 10.6622 k = 0.2716 0.4704 0.2807 ( 3708 PWs) bands (ev): -34.1014 -34.1014 -34.0937 -34.0937 -15.4260 -15.4260 -15.4037 -15.4037 -15.0907 -15.0907 -15.0337 -15.0337 -14.9955 -14.9955 -14.9542 -14.9542 -9.4333 -9.4333 1.2987 1.2987 1.8084 1.8084 2.0860 2.0860 3.0680 3.0680 3.6932 3.6932 4.2055 4.2055 9.2905 9.2905 9.7634 9.7634 9.8131 9.8131 10.6138 10.6138 k = 0.2654 0.4597 0.2807 ( 3716 PWs) bands (ev): -34.1020 -34.1020 -34.0934 -34.0934 -15.4265 -15.4265 -15.4023 -15.4023 -15.0897 -15.0897 -15.0344 -15.0344 -14.9935 -14.9935 -14.9533 -14.9533 -9.4377 -9.4377 1.2954 1.2954 1.7908 1.7908 2.1200 2.1200 3.0287 3.0287 3.7101 3.7101 4.2493 4.2493 9.2371 9.2371 9.7693 9.7693 9.8208 9.8208 10.5664 10.5664 k = 0.2593 0.4491 0.2807 ( 3714 PWs) bands (ev): -34.1026 -34.1026 -34.0932 -34.0932 -15.4270 -15.4270 -15.4008 -15.4008 -15.0886 -15.0886 -15.0350 -15.0350 -14.9915 -14.9915 -14.9523 -14.9523 -9.4426 -9.4426 1.2948 1.2948 1.7680 1.7680 2.1562 2.1562 2.9922 2.9922 3.7258 3.7258 4.2954 4.2954 9.1845 9.1845 9.7763 9.7763 9.8289 9.8289 10.5203 10.5203 k = 0.2531 0.4384 0.2807 ( 3710 PWs) bands (ev): -34.1032 -34.1032 -34.0930 -34.0930 -15.4274 -15.4274 -15.3991 -15.3991 -15.0876 -15.0876 -15.0354 -15.0354 -14.9894 -14.9894 -14.9513 -14.9513 -9.4479 -9.4479 1.2969 1.2969 1.7407 1.7407 2.1937 2.1937 2.9590 2.9590 3.7401 3.7401 4.3437 4.3437 9.1333 9.1333 9.7842 9.7842 9.8375 9.8375 10.4757 10.4757 k = 0.2469 0.4277 0.2807 ( 3710 PWs) bands (ev): -34.1038 -34.1038 -34.0928 -34.0928 -15.4278 -15.4278 -15.3973 -15.3973 -15.0865 -15.0865 -15.0357 -15.0357 -14.9873 -14.9873 -14.9503 -14.9503 -9.4536 -9.4536 1.3014 1.3014 1.7097 1.7097 2.2320 2.2320 2.9292 2.9292 3.7531 3.7531 4.3942 4.3942 9.0841 9.0841 9.7931 9.7931 9.8467 9.8467 10.4328 10.4328 k = 0.2407 0.4170 0.2807 ( 3714 PWs) bands (ev): -34.1044 -34.1044 -34.0926 -34.0926 -15.4282 -15.4282 -15.3955 -15.3955 -15.0854 -15.0854 -15.0357 -15.0357 -14.9853 -14.9853 -14.9492 -14.9492 -9.4598 -9.4598 1.3081 1.3081 1.6758 1.6758 2.2706 2.2706 2.9029 2.9029 3.7646 3.7646 4.4468 4.4468 9.0371 9.0371 9.8030 9.8030 9.8565 9.8565 10.3918 10.3918 k = 0.2346 0.4063 0.2807 ( 3712 PWs) bands (ev): -34.1051 -34.1051 -34.0924 -34.0924 -15.4285 -15.4285 -15.3935 -15.3935 -15.0843 -15.0843 -15.0356 -15.0356 -14.9832 -14.9832 -14.9480 -14.9480 -9.4663 -9.4663 1.3161 1.3161 1.6400 1.6400 2.3092 2.3092 2.8803 2.8803 3.7746 3.7746 4.5015 4.5015 8.9929 8.9929 9.8139 9.8139 9.8670 9.8670 10.3528 10.3528 k = 0.2284 0.3956 0.2807 ( 3716 PWs) bands (ev): -34.1057 -34.1057 -34.0922 -34.0922 -15.4288 -15.4288 -15.3914 -15.3914 -15.0832 -15.0832 -15.0352 -15.0352 -14.9811 -14.9811 -14.9468 -14.9468 -9.4733 -9.4733 1.3239 1.3239 1.6042 1.6042 2.3474 2.3474 2.8612 2.8612 3.7829 3.7829 4.5584 4.5584 8.9517 8.9517 9.8255 9.8255 9.8781 9.8781 10.3161 10.3161 k = 0.2222 0.3849 0.2807 ( 3720 PWs) bands (ev): -34.1064 -34.1064 -34.0921 -34.0921 -15.4290 -15.4290 -15.3892 -15.3892 -15.0822 -15.0822 -15.0347 -15.0347 -14.9790 -14.9790 -14.9456 -14.9456 -9.4806 -9.4806 1.3290 1.3290 1.5714 1.5714 2.3850 2.3850 2.8457 2.8457 3.7896 3.7896 4.6174 4.6174 8.9139 8.9139 9.8378 9.8378 9.8898 9.8898 10.2819 10.2819 k = 0.2160 0.3742 0.2807 ( 3712 PWs) bands (ev): -34.1071 -34.1071 -34.0920 -34.0920 -15.4292 -15.4292 -15.3869 -15.3869 -15.0812 -15.0812 -15.0339 -15.0339 -14.9768 -14.9768 -14.9444 -14.9444 -9.4883 -9.4883 1.3269 1.3269 1.5465 1.5465 2.4215 2.4215 2.8337 2.8337 3.7946 3.7946 4.6785 4.6785 8.8799 8.8799 9.8505 9.8505 9.9022 9.9022 10.2506 10.2506 k = 0.2099 0.3635 0.2807 ( 3708 PWs) bands (ev): -34.1078 -34.1078 -34.0919 -34.0919 -15.4293 -15.4293 -15.3845 -15.3845 -15.0803 -15.0803 -15.0330 -15.0330 -14.9746 -14.9746 -14.9431 -14.9431 -9.4963 -9.4963 1.3121 1.3121 1.5352 1.5352 2.4567 2.4567 2.8253 2.8253 3.7977 3.7977 4.7418 4.7418 8.8497 8.8497 9.8634 9.8634 9.9149 9.9149 10.2223 10.2223 k = 0.2037 0.3528 0.2807 ( 3712 PWs) bands (ev): -34.1085 -34.1085 -34.0918 -34.0918 -15.4294 -15.4294 -15.3821 -15.3821 -15.0794 -15.0794 -15.0318 -15.0318 -14.9725 -14.9725 -14.9419 -14.9419 -9.5046 -9.5046 1.2830 1.2830 1.5397 1.5397 2.4901 2.4901 2.8203 2.8203 3.7991 3.7991 4.8072 4.8072 8.8235 8.8235 9.8759 9.8759 9.9279 9.9279 10.1974 10.1974 k = 0.1975 0.3421 0.2807 ( 3708 PWs) bands (ev): -34.1092 -34.1092 -34.0917 -34.0917 -15.4295 -15.4295 -15.3795 -15.3795 -15.0785 -15.0785 -15.0304 -15.0304 -14.9703 -14.9703 -14.9406 -14.9406 -9.5131 -9.5131 1.2426 1.2426 1.5571 1.5571 2.5213 2.5213 2.8189 2.8189 3.7987 3.7987 4.8747 4.8747 8.8017 8.8017 9.8877 9.8877 9.9410 9.9410 10.1766 10.1766 k = 0.1914 0.3314 0.2807 ( 3722 PWs) bands (ev): -34.1099 -34.1099 -34.0916 -34.0916 -15.4295 -15.4295 -15.3770 -15.3770 -15.0777 -15.0777 -15.0289 -15.0289 -14.9682 -14.9682 -14.9393 -14.9393 -9.5219 -9.5219 1.1949 1.1949 1.5837 1.5837 2.5499 2.5499 2.8213 2.8213 3.7965 3.7965 4.9445 4.9445 8.7842 8.7842 9.8981 9.8981 9.9538 9.9538 10.1603 10.1603 k = 0.1852 0.3208 0.2807 ( 3726 PWs) bands (ev): -34.1106 -34.1106 -34.0916 -34.0916 -15.4295 -15.4295 -15.3743 -15.3743 -15.0769 -15.0769 -15.0271 -15.0271 -14.9660 -14.9660 -14.9380 -14.9380 -9.5309 -9.5309 1.1430 1.1430 1.6167 1.6167 2.5754 2.5754 2.8275 2.8275 3.7925 3.7925 5.0164 5.0164 8.7713 8.7713 9.9065 9.9065 9.9661 9.9661 10.1490 10.1490 k = 0.1790 0.3101 0.2807 ( 3722 PWs) bands (ev): -34.1113 -34.1113 -34.0915 -34.0915 -15.4295 -15.4295 -15.3716 -15.3716 -15.0761 -15.0761 -15.0252 -15.0252 -14.9639 -14.9639 -14.9367 -14.9367 -9.5401 -9.5401 1.0886 1.0886 1.6545 1.6545 2.5975 2.5975 2.8377 2.8377 3.7868 3.7868 5.0904 5.0904 8.7628 8.7628 9.9125 9.9125 9.9773 9.9773 10.1432 10.1432 k = 0.1728 0.2994 0.2807 ( 3726 PWs) bands (ev): -34.1120 -34.1120 -34.0915 -34.0915 -15.4294 -15.4294 -15.3689 -15.3689 -15.0754 -15.0754 -15.0232 -15.0232 -14.9617 -14.9617 -14.9355 -14.9355 -9.5494 -9.5494 1.0329 1.0329 1.6963 1.6963 2.6161 2.6161 2.8516 2.8516 3.7795 3.7795 5.1666 5.1666 8.7589 8.7589 9.9159 9.9159 9.9870 9.9870 10.1426 10.1426 k = 0.1667 0.2887 0.2807 ( 3722 PWs) bands (ev): -34.1128 -34.1128 -34.0915 -34.0915 -15.4293 -15.4293 -15.3661 -15.3661 -15.0747 -15.0747 -15.0210 -15.0210 -14.9596 -14.9596 -14.9341 -14.9341 -9.5588 -9.5588 0.9765 0.9765 1.7413 1.7413 2.6315 2.6315 2.8688 2.8688 3.7705 3.7705 5.2449 5.2449 8.7596 8.7596 9.9169 9.9169 9.9945 9.9945 10.1467 10.1467 k = 0.1605 0.2780 0.2807 ( 3726 PWs) bands (ev): -34.1135 -34.1135 -34.0915 -34.0915 -15.4293 -15.4293 -15.3634 -15.3634 -15.0740 -15.0740 -15.0186 -15.0186 -14.9575 -14.9575 -14.9328 -14.9328 -9.5683 -9.5683 0.9200 0.9200 1.7892 1.7892 2.6442 2.6442 2.8886 2.8886 3.7599 3.7599 5.3254 5.3254 8.7647 8.7647 9.9162 9.9162 9.9987 9.9987 10.1545 10.1545 k = 0.1543 0.2673 0.2807 ( 3736 PWs) bands (ev): -34.1142 -34.1142 -34.0915 -34.0915 -15.4292 -15.4292 -15.3606 -15.3606 -15.0734 -15.0734 -15.0162 -15.0162 -14.9555 -14.9555 -14.9315 -14.9315 -9.5778 -9.5778 0.8638 0.8638 1.8395 1.8395 2.6548 2.6548 2.9104 2.9104 3.7480 3.7480 5.4079 5.4079 8.7741 8.7741 9.9145 9.9145 9.9984 9.9984 10.1647 10.1647 k = 0.1481 0.2566 0.2807 ( 3732 PWs) bands (ev): -34.1149 -34.1149 -34.0915 -34.0915 -15.4291 -15.4291 -15.3578 -15.3578 -15.0727 -15.0727 -15.0137 -15.0137 -14.9535 -14.9535 -14.9302 -14.9302 -9.5872 -9.5872 0.8081 0.8081 1.8919 1.8919 2.6637 2.6637 2.9334 2.9334 3.7347 3.7347 5.4925 5.4925 8.7877 8.7877 9.9127 9.9127 9.9915 9.9915 10.1761 10.1761 k = 0.1420 0.2459 0.2807 ( 3744 PWs) bands (ev): -34.1156 -34.1156 -34.0916 -34.0916 -15.4290 -15.4290 -15.3551 -15.3551 -15.0720 -15.0720 -15.0111 -15.0111 -14.9517 -14.9517 -14.9288 -14.9288 -9.5967 -9.5967 0.7534 0.7534 1.9460 1.9460 2.6717 2.6717 2.9570 2.9570 3.7203 3.7203 5.5791 5.5791 8.8053 8.8053 9.9112 9.9112 9.9758 9.9758 10.1661 10.1664 k = 0.1358 0.2352 0.2807 ( 3750 PWs) bands (ev): -34.1162 -34.1162 -34.0916 -34.0916 -15.4289 -15.4289 -15.3524 -15.3524 -15.0714 -15.0714 -15.0084 -15.0084 -14.9499 -14.9499 -14.9274 -14.9274 -9.6061 -9.6061 0.6998 0.6998 2.0016 2.0016 2.6790 2.6790 2.9809 2.9809 3.7048 3.7048 5.6677 5.6677 8.8266 8.8266 9.9101 9.9101 9.9501 9.9501 10.1295 10.1295 k = 0.1296 0.2245 0.2807 ( 3754 PWs) bands (ev): -34.1169 -34.1169 -34.0917 -34.0917 -15.4288 -15.4288 -15.3498 -15.3498 -15.0708 -15.0708 -15.0057 -15.0057 -14.9482 -14.9482 -14.9259 -14.9259 -9.6153 -9.6153 0.6474 0.6474 2.0581 2.0581 2.6860 2.6860 3.0046 3.0046 3.6884 3.6884 5.7581 5.7581 8.8513 8.8513 9.9029 9.9029 9.9221 9.9221 10.0996 10.0996 k = 0.1235 0.2138 0.2807 ( 3742 PWs) bands (ev): -34.1175 -34.1175 -34.0917 -34.0917 -15.4287 -15.4287 -15.3471 -15.3471 -15.0701 -15.0701 -15.0029 -15.0029 -14.9467 -14.9467 -14.9244 -14.9244 -9.6244 -9.6244 0.5966 0.5966 2.1152 2.1152 2.6932 2.6932 3.0279 3.0279 3.6712 3.6712 5.8503 5.8503 8.8790 8.8790 9.8666 9.8666 9.9180 9.9180 10.0736 10.0737 k = 0.1173 0.2031 0.2807 ( 3738 PWs) bands (ev): -34.1182 -34.1182 -34.0918 -34.0918 -15.4286 -15.4286 -15.3446 -15.3446 -15.0695 -15.0695 -15.0001 -15.0001 -14.9453 -14.9453 -14.9228 -14.9228 -9.6333 -9.6333 0.5474 0.5474 2.1723 2.1723 2.7008 2.7008 3.0505 3.0505 3.6534 3.6534 5.9441 5.9441 8.9092 8.9092 9.8213 9.8213 9.9213 9.9213 10.0487 10.0487 k = 0.1111 0.1925 0.2807 ( 3742 PWs) bands (ev): -34.1188 -34.1188 -34.0918 -34.0918 -15.4285 -15.4285 -15.3421 -15.3421 -15.0688 -15.0688 -14.9973 -14.9973 -14.9440 -14.9440 -14.9212 -14.9212 -9.6420 -9.6420 0.5000 0.5000 2.2289 2.2289 2.7092 2.7092 3.0724 3.0724 3.6351 3.6351 6.0395 6.0395 8.9410 8.9410 9.7744 9.7744 9.9267 9.9267 10.0233 10.0233 k = 0.1049 0.1818 0.2807 ( 3746 PWs) bands (ev): -34.1194 -34.1194 -34.0919 -34.0919 -15.4285 -15.4285 -15.3397 -15.3397 -15.0682 -15.0682 -14.9945 -14.9945 -14.9430 -14.9430 -14.9195 -14.9195 -9.6504 -9.6504 0.4545 0.4545 2.2843 2.2843 2.7189 2.7189 3.0934 3.0934 3.6165 3.6165 6.1364 6.1364 8.9738 8.9738 9.7278 9.7278 9.9338 9.9338 9.9971 9.9971 k = 0.0988 0.1711 0.2807 ( 3744 PWs) bands (ev): -34.1199 -34.1199 -34.0920 -34.0920 -15.4284 -15.4284 -15.3374 -15.3374 -15.0676 -15.0676 -14.9917 -14.9917 -14.9421 -14.9421 -14.9178 -14.9178 -9.6585 -9.6585 0.4110 0.4110 2.3376 2.3376 2.7304 2.7304 3.1134 3.1134 3.5978 3.5978 6.2344 6.2344 9.0064 9.0064 9.6829 9.6829 9.9419 9.9419 9.9710 9.9710 k = 0.0926 0.1604 0.2807 ( 3752 PWs) bands (ev): -34.1205 -34.1205 -34.0921 -34.0921 -15.4284 -15.4284 -15.3352 -15.3352 -15.0670 -15.0670 -14.9890 -14.9890 -14.9414 -14.9414 -14.9160 -14.9160 -9.6663 -9.6663 0.3697 0.3697 2.3877 2.3877 2.7443 2.7443 3.1324 3.1324 3.5789 3.5789 6.3334 6.3334 9.0374 9.0374 9.6403 9.6403 9.9411 9.9411 9.9556 9.9556 k = 0.0864 0.1497 0.2807 ( 3752 PWs) bands (ev): -34.1210 -34.1210 -34.0921 -34.0921 -15.4284 -15.4284 -15.3331 -15.3331 -15.0665 -15.0665 -14.9862 -14.9862 -14.9408 -14.9408 -14.9143 -14.9143 -9.6737 -9.6737 0.3306 0.3306 2.4337 2.4337 2.7617 2.7617 3.1504 3.1504 3.5602 3.5602 6.4331 6.4331 9.0653 9.0653 9.6010 9.6010 9.9190 9.9190 9.9646 9.9646 k = 0.0802 0.1390 0.2807 ( 3748 PWs) bands (ev): -34.1215 -34.1215 -34.0922 -34.0922 -15.4283 -15.4283 -15.3312 -15.3312 -15.0659 -15.0659 -14.9835 -14.9835 -14.9404 -14.9404 -14.9125 -14.9125 -9.6808 -9.6808 0.2938 0.2938 2.4742 2.4742 2.7830 2.7830 3.1672 3.1672 3.5418 3.5418 6.5333 6.5333 9.0881 9.0881 9.5658 9.5658 9.8991 9.8991 9.9755 9.9755 k = 0.0741 0.1283 0.2807 ( 3748 PWs) bands (ev): -34.1219 -34.1219 -34.0923 -34.0923 -15.4283 -15.4283 -15.3293 -15.3293 -15.0654 -15.0654 -14.9809 -14.9809 -14.9402 -14.9402 -14.9108 -14.9108 -9.6874 -9.6874 0.2595 0.2595 2.5086 2.5086 2.8089 2.8089 3.1829 3.1829 3.5237 3.5237 6.6335 6.6335 9.1037 9.1037 9.5353 9.5353 9.8845 9.8845 9.9856 9.9856 k = 0.0679 0.1176 0.2807 ( 3748 PWs) bands (ev): -34.1224 -34.1224 -34.0923 -34.0923 -15.4283 -15.4283 -15.3276 -15.3276 -15.0649 -15.0649 -14.9783 -14.9783 -14.9401 -14.9401 -14.9092 -14.9092 -9.6937 -9.6937 0.2276 0.2276 2.5365 2.5365 2.8391 2.8391 3.1975 3.1975 3.5060 3.5060 6.7332 6.7332 9.1108 9.1108 9.5097 9.5097 9.8772 9.8772 9.9922 9.9922 k = 0.0617 0.1069 0.2807 ( 3738 PWs) bands (ev): -34.1227 -34.1227 -34.0924 -34.0924 -15.4283 -15.4283 -15.3260 -15.3260 -15.0644 -15.0644 -14.9758 -14.9758 -14.9401 -14.9401 -14.9075 -14.9075 -9.6994 -9.6994 0.1983 0.1983 2.5584 2.5584 2.8728 2.8728 3.2108 3.2108 3.4890 3.4890 6.8319 6.8319 9.1090 9.1090 9.4885 9.4885 9.8784 9.8784 9.9874 9.9874 k = 0.0556 0.0962 0.2807 ( 3738 PWs) bands (ev): -34.1231 -34.1231 -34.0925 -34.0925 -15.4283 -15.4283 -15.3245 -15.3245 -15.0640 -15.0640 -14.9735 -14.9735 -14.9402 -14.9402 -14.9060 -14.9060 -9.7047 -9.7047 0.1716 0.1716 2.5753 2.5753 2.9086 2.9086 3.2228 3.2228 3.4727 3.4727 6.9288 6.9288 9.0991 9.0991 9.4707 9.4707 9.8883 9.8883 9.9517 9.9517 k = 0.0494 0.0855 0.2807 ( 3734 PWs) bands (ev): -34.1234 -34.1234 -34.0925 -34.0925 -15.4284 -15.4284 -15.3232 -15.3232 -15.0636 -15.0636 -14.9712 -14.9712 -14.9405 -14.9405 -14.9046 -14.9046 -9.7095 -9.7095 0.1475 0.1475 2.5882 2.5882 2.9452 2.9452 3.2335 3.2335 3.4573 3.4573 7.0231 7.0231 9.0832 9.0832 9.4551 9.4551 9.8770 9.8770 9.9068 9.9068 k = 0.0432 0.0748 0.2807 ( 3736 PWs) bands (ev): -34.1237 -34.1237 -34.0926 -34.0926 -15.4284 -15.4284 -15.3220 -15.3220 -15.0633 -15.0633 -14.9691 -14.9691 -14.9408 -14.9408 -14.9034 -14.9034 -9.7137 -9.7137 0.1262 0.1262 2.5979 2.5979 2.9811 2.9811 3.2426 3.2426 3.4428 3.4428 7.1134 7.1134 9.0636 9.0636 9.4409 9.4409 9.7877 9.7877 9.9307 9.9307 k = 0.0370 0.0642 0.2807 ( 3736 PWs) bands (ev): -34.1240 -34.1240 -34.0926 -34.0926 -15.4284 -15.4284 -15.3210 -15.3210 -15.0629 -15.0629 -14.9671 -14.9671 -14.9412 -14.9412 -14.9022 -14.9022 -9.7175 -9.7175 0.1076 0.1076 2.6054 2.6054 3.0153 3.0153 3.2502 3.2502 3.4296 3.4296 7.1986 7.1986 9.0425 9.0425 9.4281 9.4281 9.6976 9.6976 9.9588 9.9588 k = 0.0309 0.0535 0.2807 ( 3730 PWs) bands (ev): -34.1242 -34.1242 -34.0927 -34.0927 -15.4284 -15.4284 -15.3202 -15.3202 -15.0627 -15.0627 -14.9653 -14.9653 -14.9417 -14.9417 -14.9012 -14.9012 -9.7206 -9.7206 0.0919 0.0919 2.6110 2.6110 3.0467 3.0467 3.2560 3.2560 3.4177 3.4177 7.2767 7.2767 9.0219 9.0219 9.4166 9.4166 9.6132 9.6132 9.9883 9.9883 k = 0.0247 0.0428 0.2807 ( 3722 PWs) bands (ev): -34.1244 -34.1244 -34.0927 -34.0927 -15.4284 -15.4284 -15.3194 -15.3194 -15.0624 -15.0624 -14.9637 -14.9637 -14.9421 -14.9421 -14.9004 -14.9004 -9.7233 -9.7233 0.0789 0.0789 2.6152 2.6152 3.0745 3.0745 3.2600 3.2600 3.4076 3.4076 7.3457 7.3457 9.0033 9.0033 9.4066 9.4066 9.5381 9.5381 10.0164 10.0165 k = 0.0185 0.0321 0.2807 ( 3706 PWs) bands (ev): -34.1245 -34.1245 -34.0927 -34.0927 -15.4284 -15.4284 -15.3189 -15.3189 -15.0622 -15.0622 -14.9624 -14.9624 -14.9426 -14.9426 -14.8997 -14.8997 -9.7253 -9.7253 0.0689 0.0689 2.6182 2.6182 3.0979 3.0979 3.2622 3.2622 3.3994 3.3994 7.4032 7.4032 8.9876 8.9876 9.3986 9.3986 9.4755 9.4755 10.0409 10.0410 k = 0.0123 0.0214 0.2807 ( 3694 PWs) bands (ev): -34.1246 -34.1246 -34.0927 -34.0927 -15.4284 -15.4284 -15.3184 -15.3184 -15.0621 -15.0621 -14.9614 -14.9614 -14.9429 -14.9429 -14.8992 -14.8992 -9.7268 -9.7268 0.0616 0.0616 2.6203 2.6203 3.1158 3.1158 3.2629 3.2629 3.3934 3.3934 7.4467 7.4467 8.9759 8.9759 9.3924 9.3924 9.4284 9.4284 10.0591 10.0596 k = 0.0062 0.0107 0.2807 ( 3698 PWs) bands (ev): -34.1246 -34.1246 -34.0927 -34.0927 -15.4284 -15.4284 -15.3182 -15.3182 -15.0620 -15.0620 -14.9608 -14.9608 -14.9432 -14.9432 -14.8990 -14.8990 -9.7276 -9.7276 0.0573 0.0573 2.6215 2.6215 3.1273 3.1273 3.2628 3.2628 3.3898 3.3898 7.4739 7.4739 8.9686 8.9686 9.3876 9.3876 9.4000 9.4000 10.0687 10.0688 k = 0.0000 0.0000 0.2807 ( 3702 PWs) bands (ev): -34.1247 -34.1247 -34.0927 -34.0927 -15.4284 -15.4284 -15.3181 -15.3181 -15.0620 -15.0620 -14.9606 -14.9606 -14.9433 -14.9433 -14.8989 -14.8989 -9.7279 -9.7279 0.0558 0.0558 2.6219 2.6219 3.1312 3.1312 3.2627 3.2627 3.3886 3.3886 7.4832 7.4832 8.9662 8.9662 9.3838 9.3838 9.3925 9.3925 10.0709 10.0722 k = 0.5000 0.2887 0.2807 ( 3716 PWs) bands (ev): -34.1034 -34.1034 -34.0929 -34.0929 -15.4300 -15.4300 -15.4061 -15.4061 -15.0765 -15.0765 -15.0520 -15.0520 -14.9821 -14.9821 -14.9395 -14.9395 -9.4508 -9.4508 0.9848 0.9848 1.8155 1.8155 2.7551 2.7551 3.0334 3.0334 3.3275 3.3275 4.4697 4.4697 8.8101 8.8101 9.3324 9.3324 9.6723 9.6723 10.7940 10.7940 k = 0.5000 0.2887 0.2685 ( 3718 PWs) bands (ev): -34.1034 -34.1034 -34.0929 -34.0929 -15.4300 -15.4300 -15.4062 -15.4062 -15.0764 -15.0764 -15.0521 -15.0521 -14.9822 -14.9822 -14.9395 -14.9395 -9.4508 -9.4508 0.9843 0.9843 1.8159 1.8159 2.7550 2.7550 3.0349 3.0349 3.3267 3.3267 4.4683 4.4683 8.8126 8.8126 9.3353 9.3353 9.6734 9.6734 10.7874 10.7874 k = 0.5000 0.2887 0.2563 ( 3718 PWs) bands (ev): -34.1034 -34.1034 -34.0929 -34.0929 -15.4300 -15.4300 -15.4061 -15.4061 -15.0764 -15.0764 -15.0521 -15.0521 -14.9822 -14.9822 -14.9396 -14.9396 -9.4508 -9.4508 0.9828 0.9828 1.8172 1.8172 2.7549 2.7549 3.0395 3.0395 3.3242 3.3242 4.4643 4.4643 8.8200 8.8200 9.3438 9.3438 9.6767 9.6767 10.7686 10.7686 k = 0.5000 0.2887 0.2441 ( 3722 PWs) bands (ev): -34.1034 -34.1034 -34.0929 -34.0929 -15.4299 -15.4299 -15.4062 -15.4062 -15.0764 -15.0764 -15.0522 -15.0522 -14.9823 -14.9823 -14.9396 -14.9396 -9.4508 -9.4508 0.9804 0.9804 1.8194 1.8194 2.7548 2.7548 3.0471 3.0471 3.3201 3.3201 4.4577 4.4577 8.8323 8.8323 9.3578 9.3578 9.6821 9.6821 10.7393 10.7393 k = 0.5000 0.2887 0.2319 ( 3714 PWs) bands (ev): -34.1034 -34.1034 -34.0929 -34.0929 -15.4298 -15.4298 -15.4061 -15.4061 -15.0762 -15.0762 -15.0522 -15.0522 -14.9824 -14.9824 -14.9396 -14.9396 -9.4507 -9.4507 0.9770 0.9770 1.8224 1.8224 2.7546 2.7546 3.0574 3.0574 3.3144 3.3144 4.4486 4.4486 8.8495 8.8495 9.3771 9.3771 9.6897 9.6897 10.7022 10.7022 k = 0.5000 0.2887 0.2197 ( 3720 PWs) bands (ev): -34.1034 -34.1034 -34.0929 -34.0929 -15.4297 -15.4297 -15.4061 -15.4061 -15.0762 -15.0762 -15.0523 -15.0523 -14.9825 -14.9825 -14.9397 -14.9397 -9.4507 -9.4507 0.9729 0.9729 1.8261 1.8261 2.7543 2.7543 3.0705 3.0705 3.3073 3.3073 4.4371 4.4371 8.8712 8.8712 9.4011 9.4011 9.6994 9.6994 10.6597 10.6597 k = 0.5000 0.2887 0.2075 ( 3720 PWs) bands (ev): -34.1035 -34.1035 -34.0929 -34.0929 -15.4295 -15.4295 -15.4061 -15.4061 -15.0760 -15.0760 -15.0524 -15.0524 -14.9826 -14.9826 -14.9398 -14.9398 -9.4506 -9.4506 0.9680 0.9680 1.8307 1.8307 2.7541 2.7541 3.0860 3.0860 3.2988 3.2988 4.4235 4.4235 8.8974 8.8974 9.4294 9.4294 9.7111 9.7111 10.6141 10.6141 k = 0.5000 0.2887 0.1953 ( 3728 PWs) bands (ev): -34.1035 -34.1035 -34.0929 -34.0929 -15.4293 -15.4293 -15.4061 -15.4061 -15.0759 -15.0759 -15.0526 -15.0526 -14.9828 -14.9828 -14.9399 -14.9399 -9.4505 -9.4505 0.9625 0.9625 1.8359 1.8359 2.7539 2.7539 3.1036 3.1036 3.2892 3.2892 4.4079 4.4079 8.9276 8.9276 9.4613 9.4613 9.7246 9.7246 10.5673 10.5673 k = 0.5000 0.2887 0.1831 ( 3724 PWs) bands (ev): -34.1035 -34.1035 -34.0929 -34.0929 -15.4291 -15.4291 -15.4061 -15.4061 -15.0757 -15.0757 -15.0527 -15.0527 -14.9830 -14.9830 -14.9400 -14.9400 -9.4505 -9.4505 0.9565 0.9565 1.8417 1.8417 2.7538 2.7538 3.1232 3.1232 3.2786 3.2786 4.3906 4.3906 8.9616 8.9616 9.4960 9.4960 9.7400 9.7400 10.5212 10.5212 k = 0.5000 0.2887 0.1709 ( 3724 PWs) bands (ev): -34.1035 -34.1035 -34.0929 -34.0929 -15.4289 -15.4289 -15.4062 -15.4062 -15.0755 -15.0755 -15.0529 -15.0529 -14.9831 -14.9831 -14.9401 -14.9401 -9.4504 -9.4504 0.9501 0.9501 1.8481 1.8481 2.7537 2.7537 3.1442 3.1442 3.2673 3.2673 4.3718 4.3718 8.9990 8.9990 9.5325 9.5325 9.7571 9.7571 10.4772 10.4772 k = 0.5000 0.2887 0.1587 ( 3722 PWs) bands (ev): -34.1035 -34.1035 -34.0929 -34.0929 -15.4287 -15.4287 -15.4062 -15.4062 -15.0753 -15.0753 -15.0530 -15.0530 -14.9833 -14.9833 -14.9402 -14.9402 -9.4503 -9.4503 0.9435 0.9435 1.8549 1.8549 2.7537 2.7537 3.1661 3.1661 3.2557 3.2557 4.3518 4.3518 9.0393 9.0393 9.5698 9.5698 9.7756 9.7756 10.4367 10.4367 k = 0.5000 0.2887 0.1465 ( 3722 PWs) bands (ev): -34.1035 -34.1035 -34.0929 -34.0929 -15.4284 -15.4284 -15.4062 -15.4062 -15.0751 -15.0751 -15.0532 -15.0532 -14.9835 -14.9835 -14.9403 -14.9403 -9.4502 -9.4502 0.9368 0.9368 1.8621 1.8621 2.7537 2.7537 3.1874 3.1874 3.2453 3.2453 4.3309 4.3309 9.0818 9.0818 9.6066 9.6066 9.7954 9.7954 10.4010 10.4010 k = 0.5000 0.2887 0.1343 ( 3726 PWs) bands (ev): -34.1035 -34.1035 -34.0929 -34.0929 -15.4282 -15.4282 -15.4062 -15.4062 -15.0749 -15.0749 -15.0534 -15.0534 -14.9837 -14.9837 -14.9404 -14.9404 -9.4501 -9.4501 0.9300 0.9300 1.8695 1.8695 2.7539 2.7539 3.2030 3.2030 3.2410 3.2410 4.3094 4.3094 9.1258 9.1258 9.6418 9.6418 9.8163 9.8163 10.3709 10.3709 k = 0.5000 0.2887 0.1221 ( 3730 PWs) bands (ev): -34.1035 -34.1035 -34.0928 -34.0928 -15.4279 -15.4279 -15.4062 -15.4062 -15.0747 -15.0747 -15.0536 -15.0536 -14.9839 -14.9839 -14.9405 -14.9405 -9.4500 -9.4500 0.9234 0.9234 1.8769 1.8769 2.7541 2.7541 3.2027 3.2027 3.2529 3.2529 4.2875 4.2875 9.1705 9.1705 9.6745 9.6745 9.8378 9.8378 10.3470 10.3470 k = 0.5000 0.2887 0.1099 ( 3732 PWs) bands (ev): -34.1035 -34.1035 -34.0928 -34.0928 -15.4277 -15.4277 -15.4063 -15.4063 -15.0745 -15.0745 -15.0538 -15.0538 -14.9841 -14.9841 -14.9406 -14.9406 -9.4499 -9.4499 0.9171 0.9171 1.8844 1.8844 2.7544 2.7544 3.1932 3.1932 3.2741 3.2741 4.2658 4.2658 9.2147 9.2147 9.7044 9.7044 9.8599 9.8599 10.3291 10.3291 k = 0.5000 0.2887 0.0976 ( 3728 PWs) bands (ev): -34.1035 -34.1035 -34.0928 -34.0928 -15.4274 -15.4274 -15.4063 -15.4063 -15.0742 -15.0742 -15.0540 -15.0540 -14.9842 -14.9842 -14.9407 -14.9407 -9.4498 -9.4498 0.9111 0.9111 1.8915 1.8915 2.7548 2.7548 3.1817 3.1817 3.2972 3.2972 4.2445 4.2445 9.2571 9.2571 9.7319 9.7319 9.8820 9.8820 10.3159 10.3159 k = 0.5000 0.2887 0.0854 ( 3726 PWs) bands (ev): -34.1035 -34.1035 -34.0928 -34.0928 -15.4272 -15.4272 -15.4063 -15.4063 -15.0740 -15.0740 -15.0542 -15.0542 -14.9844 -14.9844 -14.9408 -14.9408 -9.4497 -9.4497 0.9055 0.9055 1.8984 1.8984 2.7552 2.7552 3.1701 3.1701 3.3200 3.3200 4.2240 4.2240 9.2962 9.2962 9.7581 9.7581 9.9036 9.9036 10.3056 10.3056 k = 0.5000 0.2887 0.0732 ( 3724 PWs) bands (ev): -34.1035 -34.1035 -34.0928 -34.0928 -15.4270 -15.4270 -15.4063 -15.4063 -15.0738 -15.0738 -15.0544 -15.0544 -14.9845 -14.9845 -14.9409 -14.9409 -9.4497 -9.4497 0.9005 0.9005 1.9047 1.9047 2.7556 2.7556 3.1593 3.1593 3.3416 3.3416 4.2048 4.2048 9.3306 9.3306 9.7846 9.7846 9.9242 9.9242 10.2958 10.2958 k = 0.5000 0.2887 0.0610 ( 3744 PWs) bands (ev): -34.1035 -34.1035 -34.0928 -34.0928 -15.4268 -15.4268 -15.4064 -15.4064 -15.0737 -15.0737 -15.0546 -15.0546 -14.9847 -14.9847 -14.9410 -14.9410 -9.4496 -9.4496 0.8962 0.8962 1.9103 1.9103 2.7560 2.7560 3.1495 3.1495 3.3613 3.3613 4.1874 4.1874 9.3592 9.3592 9.8126 9.8126 9.9432 9.9432 10.2840 10.2840 k = 0.5000 0.2887 0.0488 ( 3730 PWs) bands (ev): -34.1036 -34.1036 -34.0928 -34.0928 -15.4266 -15.4266 -15.4064 -15.4064 -15.0735 -15.0735 -15.0547 -15.0547 -14.9847 -14.9847 -14.9411 -14.9411 -9.4496 -9.4496 0.8925 0.8925 1.9152 1.9152 2.7564 2.7564 3.1410 3.1410 3.3786 3.3786 4.1722 4.1722 9.3814 9.3814 9.8427 9.8427 9.9601 9.9601 10.2690 10.2690 k = 0.5000 0.2887 0.0366 ( 3730 PWs) bands (ev): -34.1036 -34.1036 -34.0928 -34.0928 -15.4265 -15.4265 -15.4065 -15.4065 -15.0734 -15.0734 -15.0548 -15.0548 -14.9848 -14.9848 -14.9411 -14.9411 -9.4495 -9.4495 0.8896 0.8896 1.9191 1.9191 2.7568 2.7568 3.1342 3.1342 3.3927 3.3927 4.1598 4.1598 9.3973 9.3973 9.8735 9.8735 9.9740 9.9740 10.2510 10.2510 k = 0.5000 0.2887 0.0244 ( 3734 PWs) bands (ev): -34.1036 -34.1036 -34.0928 -34.0928 -15.4264 -15.4264 -15.4065 -15.4065 -15.0733 -15.0733 -15.0549 -15.0549 -14.9849 -14.9849 -14.9412 -14.9412 -9.4495 -9.4495 0.8875 0.8875 1.9219 1.9219 2.7571 2.7571 3.1292 3.1292 3.4032 3.4032 4.1505 4.1505 9.4078 9.4078 9.9019 9.9019 9.9846 9.9846 10.2322 10.2322 k = 0.5000 0.2887 0.0122 ( 3724 PWs) bands (ev): -34.1036 -34.1036 -34.0928 -34.0928 -15.4263 -15.4263 -15.4065 -15.4065 -15.0732 -15.0732 -15.0549 -15.0549 -14.9849 -14.9849 -14.9412 -14.9412 -9.4495 -9.4495 0.8862 0.8862 1.9237 1.9237 2.7572 2.7572 3.1261 3.1261 3.4097 3.4097 4.1448 4.1448 9.4136 9.4136 9.9230 9.9230 9.9911 9.9911 10.2172 10.2172 k = 0.5000 0.2887-0.0000 ( 3734 PWs) bands (ev): -34.1036 -34.1036 -34.0928 -34.0928 -15.4263 -15.4263 -15.4065 -15.4065 -15.0732 -15.0732 -15.0550 -15.0550 -14.9849 -14.9849 -14.9412 -14.9412 -9.4495 -9.4495 0.8858 0.8858 1.9243 1.9243 2.7573 2.7573 3.1251 3.1251 3.4119 3.4119 4.1428 4.1428 9.4153 9.4153 9.9310 9.9310 9.9934 9.9934 10.2112 10.2112 k = 0.3333 0.5774-0.0000 ( 3720 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4203 -15.4203 -15.4112 -15.4112 -15.0957 -15.0957 -15.0262 -15.0262 -15.0082 -15.0082 -14.9606 -14.9606 -9.4141 -9.4141 1.3650 1.3650 1.6524 1.6524 2.0602 2.0602 3.6248 3.6248 3.6402 3.6402 3.7236 3.7236 9.0964 9.0964 9.0984 9.0984 9.9981 9.9981 10.9078 10.9078 k = 0.3333 0.5774 0.0122 ( 3717 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4203 -15.4203 -15.4112 -15.4112 -15.0957 -15.0957 -15.0262 -15.0262 -15.0082 -15.0082 -14.9605 -14.9605 -9.4141 -9.4141 1.3652 1.3652 1.6527 1.6527 2.0597 2.0597 3.6241 3.6241 3.6395 3.6395 3.7247 3.7247 9.0987 9.0987 9.1008 9.1008 9.9968 9.9968 10.9081 10.9081 k = 0.3333 0.5774 0.0244 ( 3714 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4203 -15.4203 -15.4112 -15.4112 -15.0957 -15.0957 -15.0261 -15.0261 -15.0082 -15.0082 -14.9605 -14.9605 -9.4141 -9.4141 1.3658 1.3658 1.6536 1.6536 2.0584 2.0584 3.6220 3.6220 3.6371 3.6371 3.7279 3.7279 9.1055 9.1055 9.1079 9.1079 9.9930 9.9930 10.9087 10.9087 k = 0.3333 0.5774 0.0366 ( 3720 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4203 -15.4203 -15.4112 -15.4112 -15.0957 -15.0957 -15.0261 -15.0261 -15.0083 -15.0083 -14.9605 -14.9605 -9.4141 -9.4141 1.3667 1.3667 1.6552 1.6552 2.0562 2.0562 3.6187 3.6187 3.6333 3.6333 3.7330 3.7330 9.1167 9.1167 9.1196 9.1196 9.9867 9.9867 10.9100 10.9100 k = 0.3333 0.5774 0.0488 ( 3720 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4204 -15.4204 -15.4112 -15.4112 -15.0957 -15.0957 -15.0261 -15.0261 -15.0083 -15.0083 -14.9604 -14.9604 -9.4141 -9.4141 1.3680 1.3680 1.6573 1.6573 2.0533 2.0533 3.6141 3.6141 3.6281 3.6281 3.7401 3.7401 9.1323 9.1323 9.1358 9.1358 9.9780 9.9780 10.9119 10.9119 k = 0.3333 0.5774 0.0610 ( 3714 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4205 -15.4205 -15.4112 -15.4112 -15.0958 -15.0958 -15.0260 -15.0260 -15.0084 -15.0084 -14.9604 -14.9604 -9.4141 -9.4141 1.3696 1.3696 1.6599 1.6599 2.0496 2.0496 3.6083 3.6083 3.6215 3.6215 3.7489 3.7489 9.1521 9.1521 9.1565 9.1565 9.9670 9.9670 10.9147 10.9147 k = 0.3333 0.5774 0.0732 ( 3717 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4206 -15.4206 -15.4112 -15.4112 -15.0958 -15.0958 -15.0259 -15.0259 -15.0085 -15.0085 -14.9603 -14.9603 -9.4140 -9.4140 1.3716 1.3716 1.6631 1.6631 2.0454 2.0454 3.6016 3.6016 3.6138 3.6138 3.7593 3.7593 9.1759 9.1759 9.1813 9.1813 9.9537 9.9537 10.9186 10.9186 k = 0.3333 0.5774 0.0854 ( 3723 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4207 -15.4207 -15.4111 -15.4111 -15.0958 -15.0958 -15.0258 -15.0258 -15.0086 -15.0086 -14.9602 -14.9602 -9.4140 -9.4140 1.3738 1.3738 1.6667 1.6667 2.0406 2.0406 3.5939 3.5939 3.6050 3.6050 3.7710 3.7710 9.2035 9.2035 9.2100 9.2100 9.9383 9.9383 10.9237 10.9237 k = 0.3333 0.5774 0.0976 ( 3723 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4208 -15.4208 -15.4111 -15.4111 -15.0959 -15.0959 -15.0256 -15.0256 -15.0087 -15.0087 -14.9601 -14.9601 -9.4140 -9.4140 1.3762 1.3762 1.6706 1.6706 2.0354 2.0354 3.5855 3.5855 3.5952 3.5952 3.7839 3.7839 9.2345 9.2345 9.2423 9.2423 9.9211 9.9211 10.9303 10.9303 k = 0.3333 0.5774 0.1099 ( 3717 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4209 -15.4209 -15.4111 -15.4111 -15.0959 -15.0959 -15.0255 -15.0255 -15.0088 -15.0088 -14.9600 -14.9600 -9.4139 -9.4139 1.3788 1.3788 1.6750 1.6750 2.0299 2.0299 3.5765 3.5765 3.5848 3.5848 3.7977 3.7977 9.2687 9.2687 9.2780 9.2780 9.9023 9.9023 10.9386 10.9386 k = 0.3333 0.5774 0.1221 ( 3717 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4210 -15.4210 -15.4110 -15.4110 -15.0959 -15.0959 -15.0253 -15.0253 -15.0089 -15.0089 -14.9599 -14.9599 -9.4139 -9.4139 1.3815 1.3815 1.6795 1.6795 2.0242 2.0242 3.5670 3.5670 3.5739 3.5739 3.8122 3.8122 9.3056 9.3056 9.3165 9.3165 9.8822 9.8822 10.9485 10.9485 k = 0.3333 0.5774 0.1343 ( 3720 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4212 -15.4212 -15.4110 -15.4110 -15.0959 -15.0959 -15.0252 -15.0252 -15.0091 -15.0091 -14.9598 -14.9598 -9.4138 -9.4138 1.3843 1.3843 1.6843 1.6843 2.0185 2.0185 3.5573 3.5573 3.5626 3.5626 3.8270 3.8270 9.3449 9.3449 9.3574 9.3574 9.8612 9.8612 10.9603 10.9603 k = 0.3333 0.5774 0.1465 ( 3720 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4213 -15.4213 -15.4110 -15.4110 -15.0960 -15.0960 -15.0251 -15.0251 -15.0092 -15.0092 -14.9597 -14.9597 -9.4138 -9.4138 1.3871 1.3871 1.6891 1.6891 2.0128 2.0128 3.5475 3.5475 3.5512 3.5512 3.8419 3.8419 9.3859 9.3859 9.4002 9.4002 9.8397 9.8397 10.9739 10.9740 k = 0.3333 0.5774 0.1587 ( 3705 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4214 -15.4214 -15.4109 -15.4109 -15.0960 -15.0960 -15.0249 -15.0249 -15.0094 -15.0094 -14.9595 -14.9595 -9.4137 -9.4137 1.3899 1.3899 1.6939 1.6939 2.0073 2.0073 3.5379 3.5379 3.5399 3.5399 3.8566 3.8566 9.4282 9.4282 9.4444 9.4444 9.8182 9.8182 10.9894 10.9895 k = 0.3333 0.5774 0.1709 ( 3711 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4215 -15.4215 -15.4109 -15.4109 -15.0960 -15.0960 -15.0247 -15.0247 -15.0095 -15.0095 -14.9594 -14.9594 -9.4137 -9.4137 1.3926 1.3926 1.6987 1.6987 2.0021 2.0021 3.5285 3.5285 3.5289 3.5289 3.8709 3.8709 9.4709 9.4709 9.4890 9.4890 9.7970 9.7970 11.0065 11.0065 k = 0.3333 0.5774 0.1831 ( 3723 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4217 -15.4217 -15.4108 -15.4108 -15.0961 -15.0961 -15.0246 -15.0246 -15.0097 -15.0097 -14.9593 -14.9593 -9.4136 -9.4136 1.3952 1.3952 1.7032 1.7032 1.9972 1.9972 3.5184 3.5184 3.5195 3.5195 3.8845 3.8845 9.5133 9.5133 9.5334 9.5334 9.7766 9.7766 11.0251 11.0251 k = 0.3333 0.5774 0.1953 ( 3717 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4218 -15.4218 -15.4108 -15.4108 -15.0961 -15.0961 -15.0245 -15.0245 -15.0098 -15.0098 -14.9592 -14.9592 -9.4136 -9.4136 1.3976 1.3976 1.7075 1.7075 1.9927 1.9927 3.5087 3.5087 3.5112 3.5112 3.8972 3.8972 9.5546 9.5546 9.5767 9.5767 9.7574 9.7574 11.0446 11.0446 k = 0.3333 0.5774 0.2075 ( 3726 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4219 -15.4219 -15.4108 -15.4108 -15.0961 -15.0961 -15.0244 -15.0244 -15.0100 -15.0100 -14.9591 -14.9591 -9.4135 -9.4135 1.3998 1.3998 1.7114 1.7114 1.9887 1.9887 3.4998 3.4998 3.5036 3.5036 3.9086 3.9086 9.5937 9.5937 9.6178 9.6178 9.7400 9.7400 11.0637 11.0638 k = 0.3333 0.5774 0.2197 ( 3735 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4220 -15.4220 -15.4108 -15.4108 -15.0961 -15.0961 -15.0243 -15.0243 -15.0101 -15.0101 -14.9590 -14.9590 -9.4135 -9.4135 1.4017 1.4017 1.7149 1.7149 1.9852 1.9852 3.4919 3.4919 3.4969 3.4969 3.9187 3.9187 9.6296 9.6296 9.6556 9.6556 9.7246 9.7246 11.0756 11.0757 k = 0.3333 0.5774 0.2319 ( 3729 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4221 -15.4221 -15.4108 -15.4108 -15.0961 -15.0961 -15.0242 -15.0242 -15.0102 -15.0102 -14.9589 -14.9589 -9.4135 -9.4135 1.4034 1.4034 1.7179 1.7179 1.9823 1.9823 3.4853 3.4853 3.4913 3.4913 3.9272 3.9272 9.6609 9.6609 9.6889 9.6889 9.7118 9.7118 11.0752 11.0756 k = 0.3333 0.5774 0.2441 ( 3726 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4222 -15.4222 -15.4107 -15.4107 -15.0961 -15.0961 -15.0242 -15.0242 -15.0103 -15.0103 -14.9588 -14.9588 -9.4135 -9.4135 1.4046 1.4046 1.7202 1.7202 1.9800 1.9800 3.4801 3.4801 3.4869 3.4869 3.9340 3.9340 9.6854 9.6854 9.7030 9.7030 9.7165 9.7165 11.0724 11.0731 k = 0.3333 0.5774 0.2563 ( 3744 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4222 -15.4222 -15.4108 -15.4108 -15.0962 -15.0962 -15.0242 -15.0242 -15.0104 -15.0104 -14.9588 -14.9588 -9.4134 -9.4134 1.4056 1.4056 1.7220 1.7220 1.9783 1.9783 3.4762 3.4762 3.4836 3.4836 3.9390 3.9390 9.6905 9.6905 9.7097 9.7097 9.7371 9.7371 11.0691 11.0741 k = 0.3333 0.5774 0.2685 ( 3744 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4223 -15.4223 -15.4108 -15.4108 -15.0962 -15.0962 -15.0241 -15.0241 -15.0104 -15.0104 -14.9588 -14.9588 -9.4134 -9.4134 1.4061 1.4061 1.7230 1.7230 1.9773 1.9773 3.4739 3.4739 3.4816 3.4816 3.9420 3.9420 9.6869 9.6869 9.7207 9.7207 9.7499 9.7499 11.0679 11.0735 k = 0.3333 0.5774 0.2807 ( 3738 PWs) bands (ev): -34.0969 -34.0969 -34.0969 -34.0969 -15.4223 -15.4223 -15.4107 -15.4107 -15.0962 -15.0962 -15.0241 -15.0241 -15.0104 -15.0104 -14.9588 -14.9588 -9.4134 -9.4134 1.4063 1.4063 1.7234 1.7234 1.9770 1.9770 3.4731 3.4731 3.4809 3.4809 3.9430 3.9430 9.6855 9.6855 9.7247 9.7247 9.7543 9.7543 11.0669 11.0682 Writing output data file Ca2H3Br.save init_run : 0.30s CPU 0.77s WALL ( 1 calls) electrons : 208.32s CPU 212.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 208.31s CPU 212.93s 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 : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 334 calls) cegterg : 200.92s CPU 203.94s WALL ( 1165 calls) Called by sum_band: Called by *egterg: h_psi : 87.78s CPU 89.17s WALL ( 22416 calls) s_psi : 3.70s CPU 3.82s WALL ( 22416 calls) g_psi : 0.31s CPU 0.30s WALL ( 20917 calls) cdiaghg : 96.62s CPU 97.88s WALL ( 21251 calls) cegterg:over : 6.30s CPU 6.48s WALL ( 20917 calls) cegterg:upda : 5.43s CPU 5.66s WALL ( 20917 calls) cegterg:last : 2.58s CPU 2.64s WALL ( 2354 calls) cdiaghg:chol : 5.05s CPU 5.03s WALL ( 21251 calls) cdiaghg:inve : 2.63s CPU 2.77s WALL ( 21251 calls) cdiaghg:para : 5.77s CPU 5.55s WALL ( 42502 calls) Called by h_psi: h_psi:vloc : 78.40s CPU 79.59s WALL ( 22416 calls) h_psi:vnl : 9.18s CPU 9.35s WALL ( 22416 calls) add_vuspsi : 4.57s CPU 4.70s WALL ( 22416 calls) General routines calbec : 4.55s CPU 4.60s WALL ( 22416 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 74.29s CPU 75.21s WALL ( 1096512 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 668 calls) Parallel routines fft_scatter : 29.42s CPU 29.86s WALL ( 1096535 calls) PWSCF : 3m40.52s CPU 4m18.21s WALL This run was terminated on: 16: 3:48 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=