Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:43:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 20 6 1097 472 78 Max 36 21 7 1104 485 81 Sum 1285 745 223 39609 17219 2845 bravais-lattice index = 14 lattice parameter (alat) = 7.5797 a.u. unit-cell volume = 396.2114 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.579691 celldm(2)= 1.000000 celldm(3)= 1.050611 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 1.050611 ) 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 0.951827 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) C 4.00 12.01070 C( 1.00) 6 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3502036 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3502036 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3502036 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3502036 ) 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 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 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 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 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 G_6 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] Cartesian axes number of k points= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0108696 0.0062755 -0.0000000), wk = 0.0026667 k( 3) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0026667 k( 4) = ( 0.0326087 0.0188266 -0.0000000), wk = 0.0026667 k( 5) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0026667 k( 6) = ( 0.0543478 0.0313777 -0.0000000), wk = 0.0026667 k( 7) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0026667 k( 8) = ( 0.0760870 0.0439288 -0.0000000), wk = 0.0026667 k( 9) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0026667 k( 10) = ( 0.0978261 0.0564799 -0.0000000), wk = 0.0026667 k( 11) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0026667 k( 12) = ( 0.1195652 0.0690310 -0.0000000), wk = 0.0026667 k( 13) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0026667 k( 14) = ( 0.1413043 0.0815821 -0.0000000), wk = 0.0026667 k( 15) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0026667 k( 16) = ( 0.1630435 0.0941332 -0.0000000), wk = 0.0026667 k( 17) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0026667 k( 18) = ( 0.1847826 0.1066843 -0.0000000), wk = 0.0026667 k( 19) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0026667 k( 20) = ( 0.2065217 0.1192354 -0.0000000), wk = 0.0026667 k( 21) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0026667 k( 22) = ( 0.2282609 0.1317865 -0.0000000), wk = 0.0026667 k( 23) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0026667 k( 24) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0026667 k( 25) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0026667 k( 26) = ( 0.2717391 0.1568887 -0.0000000), wk = 0.0026667 k( 27) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0026667 k( 28) = ( 0.2934783 0.1694398 -0.0000000), wk = 0.0026667 k( 29) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0026667 k( 30) = ( 0.3152174 0.1819908 -0.0000000), wk = 0.0026667 k( 31) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0026667 k( 32) = ( 0.3369565 0.1945419 -0.0000000), wk = 0.0026667 k( 33) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0026667 k( 34) = ( 0.3586956 0.2070930 -0.0000000), wk = 0.0026667 k( 35) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0026667 k( 36) = ( 0.3804348 0.2196441 -0.0000000), wk = 0.0026667 k( 37) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0026667 k( 38) = ( 0.4021739 0.2321952 -0.0000000), wk = 0.0026667 k( 39) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0026667 k( 40) = ( 0.4239130 0.2447463 -0.0000000), wk = 0.0026667 k( 41) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0026667 k( 42) = ( 0.4456522 0.2572974 -0.0000000), wk = 0.0026667 k( 43) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0026667 k( 44) = ( 0.4673913 0.2698485 -0.0000000), wk = 0.0026667 k( 45) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0026667 k( 46) = ( 0.4891304 0.2823996 -0.0000000), wk = 0.0026667 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 49) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0026667 k( 50) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0026667 k( 51) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0026667 k( 52) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0026667 k( 53) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0026667 k( 54) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0026667 k( 55) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0026667 k( 56) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0026667 k( 57) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0026667 k( 58) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0026667 k( 59) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0026667 k( 60) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0026667 k( 61) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0026667 k( 62) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0026667 k( 63) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0026667 k( 64) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0026667 k( 65) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0026667 k( 66) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0026667 k( 67) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0026667 k( 68) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0026667 k( 69) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0026667 k( 70) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0026667 k( 71) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0026667 k( 72) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0026667 k( 73) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0026667 k( 74) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0026667 k( 75) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 77) = ( 0.3270440 0.5664569 -0.0000000), wk = 0.0026667 k( 78) = ( 0.3207547 0.5555635 -0.0000000), wk = 0.0026667 k( 79) = ( 0.3144654 0.5446701 -0.0000000), wk = 0.0026667 k( 80) = ( 0.3081761 0.5337767 -0.0000000), wk = 0.0026667 k( 81) = ( 0.3018868 0.5228833 -0.0000000), wk = 0.0026667 k( 82) = ( 0.2955975 0.5119899 -0.0000000), wk = 0.0026667 k( 83) = ( 0.2893082 0.5010965 -0.0000000), wk = 0.0026667 k( 84) = ( 0.2830189 0.4902031 -0.0000000), wk = 0.0026667 k( 85) = ( 0.2767296 0.4793097 -0.0000000), wk = 0.0026667 k( 86) = ( 0.2704402 0.4684163 -0.0000000), wk = 0.0026667 k( 87) = ( 0.2641509 0.4575228 -0.0000000), wk = 0.0026667 k( 88) = ( 0.2578616 0.4466295 -0.0000000), wk = 0.0026667 k( 89) = ( 0.2515723 0.4357361 -0.0000000), wk = 0.0026667 k( 90) = ( 0.2452830 0.4248427 -0.0000000), wk = 0.0026667 k( 91) = ( 0.2389937 0.4139492 -0.0000000), wk = 0.0026667 k( 92) = ( 0.2327044 0.4030558 -0.0000000), wk = 0.0026667 k( 93) = ( 0.2264151 0.3921624 -0.0000000), wk = 0.0026667 k( 94) = ( 0.2201258 0.3812691 -0.0000000), wk = 0.0026667 k( 95) = ( 0.2138365 0.3703756 -0.0000000), wk = 0.0026667 k( 96) = ( 0.2075472 0.3594822 -0.0000000), wk = 0.0026667 k( 97) = ( 0.2012579 0.3485888 -0.0000000), wk = 0.0026667 k( 98) = ( 0.1949685 0.3376954 -0.0000000), wk = 0.0026667 k( 99) = ( 0.1886792 0.3268020 -0.0000000), wk = 0.0026667 k( 100) = ( 0.1823899 0.3159086 -0.0000000), wk = 0.0026667 k( 101) = ( 0.1761006 0.3050152 -0.0000000), wk = 0.0026667 k( 102) = ( 0.1698113 0.2941218 -0.0000000), wk = 0.0026667 k( 103) = ( 0.1635220 0.2832284 -0.0000000), wk = 0.0026667 k( 104) = ( 0.1572327 0.2723350 -0.0000000), wk = 0.0026667 k( 105) = ( 0.1509434 0.2614416 -0.0000000), wk = 0.0026667 k( 106) = ( 0.1446541 0.2505482 -0.0000000), wk = 0.0026667 k( 107) = ( 0.1383648 0.2396548 -0.0000000), wk = 0.0026667 k( 108) = ( 0.1320755 0.2287614 -0.0000000), wk = 0.0026667 k( 109) = ( 0.1257862 0.2178680 -0.0000000), wk = 0.0026667 k( 110) = ( 0.1194969 0.2069746 -0.0000000), wk = 0.0026667 k( 111) = ( 0.1132076 0.1960812 -0.0000000), wk = 0.0026667 k( 112) = ( 0.1069182 0.1851878 -0.0000000), wk = 0.0026667 k( 113) = ( 0.1006289 0.1742944 -0.0000000), wk = 0.0026667 k( 114) = ( 0.0943396 0.1634010 -0.0000000), wk = 0.0026667 k( 115) = ( 0.0880503 0.1525076 -0.0000000), wk = 0.0026667 k( 116) = ( 0.0817610 0.1416142 -0.0000000), wk = 0.0026667 k( 117) = ( 0.0754717 0.1307208 -0.0000000), wk = 0.0026667 k( 118) = ( 0.0691824 0.1198274 -0.0000000), wk = 0.0026667 k( 119) = ( 0.0628931 0.1089340 -0.0000000), wk = 0.0026667 k( 120) = ( 0.0566038 0.0980406 -0.0000000), wk = 0.0026667 k( 121) = ( 0.0503145 0.0871472 -0.0000000), wk = 0.0026667 k( 122) = ( 0.0440252 0.0762538 -0.0000000), wk = 0.0026667 k( 123) = ( 0.0377359 0.0653604 -0.0000000), wk = 0.0026667 k( 124) = ( 0.0314465 0.0544670 -0.0000000), wk = 0.0026667 k( 125) = ( 0.0251572 0.0435736 -0.0000000), wk = 0.0026667 k( 126) = ( 0.0188679 0.0326802 -0.0000000), wk = 0.0026667 k( 127) = ( 0.0125786 0.0217868 -0.0000000), wk = 0.0026667 k( 128) = ( 0.0062893 0.0108934 -0.0000000), wk = 0.0026667 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 131) = ( 0.0000000 0.0000000 0.0125240), wk = 0.0026667 k( 132) = ( 0.0000000 0.0000000 0.0250481), wk = 0.0026667 k( 133) = ( 0.0000000 0.0000000 0.0375721), wk = 0.0026667 k( 134) = ( 0.0000000 0.0000000 0.0500962), wk = 0.0026667 k( 135) = ( 0.0000000 0.0000000 0.0626202), wk = 0.0026667 k( 136) = ( 0.0000000 0.0000000 0.0751443), wk = 0.0026667 k( 137) = ( 0.0000000 0.0000000 0.0876683), wk = 0.0026667 k( 138) = ( 0.0000000 0.0000000 0.1001923), wk = 0.0026667 k( 139) = ( 0.0000000 0.0000000 0.1127164), wk = 0.0026667 k( 140) = ( 0.0000000 0.0000000 0.1252404), wk = 0.0026667 k( 141) = ( 0.0000000 0.0000000 0.1377645), wk = 0.0026667 k( 142) = ( 0.0000000 0.0000000 0.1502885), wk = 0.0026667 k( 143) = ( 0.0000000 0.0000000 0.1628126), wk = 0.0026667 k( 144) = ( 0.0000000 0.0000000 0.1753366), wk = 0.0026667 k( 145) = ( 0.0000000 0.0000000 0.1878606), wk = 0.0026667 k( 146) = ( 0.0000000 0.0000000 0.2003847), wk = 0.0026667 k( 147) = ( 0.0000000 0.0000000 0.2129087), wk = 0.0026667 k( 148) = ( 0.0000000 0.0000000 0.2254328), wk = 0.0026667 k( 149) = ( 0.0000000 0.0000000 0.2379568), wk = 0.0026667 k( 150) = ( 0.0000000 0.0000000 0.2504808), wk = 0.0026667 k( 151) = ( 0.0000000 0.0000000 0.2630049), wk = 0.0026667 k( 152) = ( 0.0000000 0.0000000 0.2755289), wk = 0.0026667 k( 153) = ( 0.0000000 0.0000000 0.2880530), wk = 0.0026667 k( 154) = ( 0.0000000 0.0000000 0.3005770), wk = 0.0026667 k( 155) = ( 0.0000000 0.0000000 0.3131011), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.3256251), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.3381492), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.3506732), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.3631972), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.3757213), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.3882453), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.4007694), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.4132934), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.4258174), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.4383415), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.4508655), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.4633896), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.4759136), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.4759136), wk = 0.0026667 k( 170) = ( 0.0108696 0.0062755 0.4759136), wk = 0.0026667 k( 171) = ( 0.0217391 0.0125511 0.4759136), wk = 0.0026667 k( 172) = ( 0.0326087 0.0188266 0.4759136), wk = 0.0026667 k( 173) = ( 0.0434783 0.0251022 0.4759136), wk = 0.0026667 k( 174) = ( 0.0543478 0.0313777 0.4759136), wk = 0.0026667 k( 175) = ( 0.0652174 0.0376533 0.4759136), wk = 0.0026667 k( 176) = ( 0.0760870 0.0439288 0.4759136), wk = 0.0026667 k( 177) = ( 0.0869565 0.0502044 0.4759136), wk = 0.0026667 k( 178) = ( 0.0978261 0.0564799 0.4759136), wk = 0.0026667 k( 179) = ( 0.1086957 0.0627555 0.4759136), wk = 0.0026667 k( 180) = ( 0.1195652 0.0690310 0.4759136), wk = 0.0026667 k( 181) = ( 0.1304348 0.0753066 0.4759136), wk = 0.0026667 k( 182) = ( 0.1413043 0.0815821 0.4759136), wk = 0.0026667 k( 183) = ( 0.1521739 0.0878576 0.4759136), wk = 0.0026667 k( 184) = ( 0.1630435 0.0941332 0.4759136), wk = 0.0026667 k( 185) = ( 0.1739130 0.1004087 0.4759136), wk = 0.0026667 k( 186) = ( 0.1847826 0.1066843 0.4759136), wk = 0.0026667 k( 187) = ( 0.1956522 0.1129598 0.4759136), wk = 0.0026667 k( 188) = ( 0.2065217 0.1192354 0.4759136), wk = 0.0026667 k( 189) = ( 0.2173913 0.1255109 0.4759136), wk = 0.0026667 k( 190) = ( 0.2282609 0.1317865 0.4759136), wk = 0.0026667 k( 191) = ( 0.2391304 0.1380620 0.4759136), wk = 0.0026667 k( 192) = ( 0.2500000 0.1443376 0.4759136), wk = 0.0026667 k( 193) = ( 0.2608696 0.1506131 0.4759136), wk = 0.0026667 k( 194) = ( 0.2717391 0.1568887 0.4759136), wk = 0.0026667 k( 195) = ( 0.2826087 0.1631642 0.4759136), wk = 0.0026667 k( 196) = ( 0.2934783 0.1694398 0.4759136), wk = 0.0026667 k( 197) = ( 0.3043478 0.1757153 0.4759136), wk = 0.0026667 k( 198) = ( 0.3152174 0.1819908 0.4759136), wk = 0.0026667 k( 199) = ( 0.3260870 0.1882664 0.4759136), wk = 0.0026667 k( 200) = ( 0.3369565 0.1945419 0.4759136), wk = 0.0026667 k( 201) = ( 0.3478261 0.2008175 0.4759136), wk = 0.0026667 k( 202) = ( 0.3586956 0.2070930 0.4759136), wk = 0.0026667 k( 203) = ( 0.3695652 0.2133686 0.4759136), wk = 0.0026667 k( 204) = ( 0.3804348 0.2196441 0.4759136), wk = 0.0026667 k( 205) = ( 0.3913044 0.2259197 0.4759136), wk = 0.0026667 k( 206) = ( 0.4021739 0.2321952 0.4759136), wk = 0.0026667 k( 207) = ( 0.4130435 0.2384708 0.4759136), wk = 0.0026667 k( 208) = ( 0.4239130 0.2447463 0.4759136), wk = 0.0026667 k( 209) = ( 0.4347826 0.2510219 0.4759136), wk = 0.0026667 k( 210) = ( 0.4456522 0.2572974 0.4759136), wk = 0.0026667 k( 211) = ( 0.4565217 0.2635729 0.4759136), wk = 0.0026667 k( 212) = ( 0.4673913 0.2698485 0.4759136), wk = 0.0026667 k( 213) = ( 0.4782609 0.2761240 0.4759136), wk = 0.0026667 k( 214) = ( 0.4891304 0.2823996 0.4759136), wk = 0.0026667 k( 215) = ( 0.5000000 0.2886751 0.4759136), wk = 0.0026667 k( 216) = ( 0.5000000 0.2886751 0.4759136), wk = 0.0026667 k( 217) = ( 0.4938272 0.2993668 0.4759136), wk = 0.0026667 k( 218) = ( 0.4876543 0.3100585 0.4759136), wk = 0.0026667 k( 219) = ( 0.4814815 0.3207502 0.4759136), wk = 0.0026667 k( 220) = ( 0.4753086 0.3314418 0.4759136), wk = 0.0026667 k( 221) = ( 0.4691358 0.3421335 0.4759136), wk = 0.0026667 k( 222) = ( 0.4629630 0.3528252 0.4759136), wk = 0.0026667 k( 223) = ( 0.4567901 0.3635168 0.4759136), wk = 0.0026667 k( 224) = ( 0.4506173 0.3742085 0.4759136), wk = 0.0026667 k( 225) = ( 0.4444444 0.3849002 0.4759136), wk = 0.0026667 k( 226) = ( 0.4382716 0.3955918 0.4759136), wk = 0.0026667 k( 227) = ( 0.4320988 0.4062835 0.4759136), wk = 0.0026667 k( 228) = ( 0.4259259 0.4169752 0.4759136), wk = 0.0026667 k( 229) = ( 0.4197531 0.4276669 0.4759136), wk = 0.0026667 k( 230) = ( 0.4135802 0.4383585 0.4759136), wk = 0.0026667 k( 231) = ( 0.4074074 0.4490502 0.4759136), wk = 0.0026667 k( 232) = ( 0.4012346 0.4597419 0.4759136), wk = 0.0026667 k( 233) = ( 0.3950617 0.4704335 0.4759136), wk = 0.0026667 k( 234) = ( 0.3888889 0.4811252 0.4759136), wk = 0.0026667 k( 235) = ( 0.3827160 0.4918169 0.4759136), wk = 0.0026667 k( 236) = ( 0.3765432 0.5025086 0.4759136), wk = 0.0026667 k( 237) = ( 0.3703704 0.5132002 0.4759136), wk = 0.0026667 k( 238) = ( 0.3641975 0.5238919 0.4759136), wk = 0.0026667 k( 239) = ( 0.3580247 0.5345836 0.4759136), wk = 0.0026667 k( 240) = ( 0.3518519 0.5452753 0.4759136), wk = 0.0026667 k( 241) = ( 0.3456790 0.5559669 0.4759136), wk = 0.0026667 k( 242) = ( 0.3395062 0.5666586 0.4759136), wk = 0.0026667 k( 243) = ( 0.3333333 0.5773503 0.4759136), wk = 0.0026667 k( 244) = ( 0.3333333 0.5773503 0.4759136), wk = 0.0026667 k( 245) = ( 0.3270440 0.5664569 0.4759136), wk = 0.0026667 k( 246) = ( 0.3207547 0.5555635 0.4759136), wk = 0.0026667 k( 247) = ( 0.3144654 0.5446701 0.4759136), wk = 0.0026667 k( 248) = ( 0.3081761 0.5337767 0.4759136), wk = 0.0026667 k( 249) = ( 0.3018868 0.5228833 0.4759136), wk = 0.0026667 k( 250) = ( 0.2955975 0.5119899 0.4759136), wk = 0.0026667 k( 251) = ( 0.2893082 0.5010965 0.4759136), wk = 0.0026667 k( 252) = ( 0.2830189 0.4902031 0.4759136), wk = 0.0026667 k( 253) = ( 0.2767296 0.4793097 0.4759136), wk = 0.0026667 k( 254) = ( 0.2704402 0.4684163 0.4759136), wk = 0.0026667 k( 255) = ( 0.2641509 0.4575228 0.4759136), wk = 0.0026667 k( 256) = ( 0.2578616 0.4466295 0.4759136), wk = 0.0026667 k( 257) = ( 0.2515723 0.4357361 0.4759136), wk = 0.0026667 k( 258) = ( 0.2452830 0.4248427 0.4759136), wk = 0.0026667 k( 259) = ( 0.2389937 0.4139492 0.4759136), wk = 0.0026667 k( 260) = ( 0.2327044 0.4030558 0.4759136), wk = 0.0026667 k( 261) = ( 0.2264151 0.3921624 0.4759136), wk = 0.0026667 k( 262) = ( 0.2201258 0.3812691 0.4759136), wk = 0.0026667 k( 263) = ( 0.2138365 0.3703756 0.4759136), wk = 0.0026667 k( 264) = ( 0.2075472 0.3594822 0.4759136), wk = 0.0026667 k( 265) = ( 0.2012579 0.3485888 0.4759136), wk = 0.0026667 k( 266) = ( 0.1949685 0.3376954 0.4759136), wk = 0.0026667 k( 267) = ( 0.1886792 0.3268020 0.4759136), wk = 0.0026667 k( 268) = ( 0.1823899 0.3159086 0.4759136), wk = 0.0026667 k( 269) = ( 0.1761006 0.3050152 0.4759136), wk = 0.0026667 k( 270) = ( 0.1698113 0.2941218 0.4759136), wk = 0.0026667 k( 271) = ( 0.1635220 0.2832284 0.4759136), wk = 0.0026667 k( 272) = ( 0.1572327 0.2723350 0.4759136), wk = 0.0026667 k( 273) = ( 0.1509434 0.2614416 0.4759136), wk = 0.0026667 k( 274) = ( 0.1446541 0.2505482 0.4759136), wk = 0.0026667 k( 275) = ( 0.1383648 0.2396548 0.4759136), wk = 0.0026667 k( 276) = ( 0.1320755 0.2287614 0.4759136), wk = 0.0026667 k( 277) = ( 0.1257862 0.2178680 0.4759136), wk = 0.0026667 k( 278) = ( 0.1194969 0.2069746 0.4759136), wk = 0.0026667 k( 279) = ( 0.1132076 0.1960812 0.4759136), wk = 0.0026667 k( 280) = ( 0.1069182 0.1851878 0.4759136), wk = 0.0026667 k( 281) = ( 0.1006289 0.1742944 0.4759136), wk = 0.0026667 k( 282) = ( 0.0943396 0.1634010 0.4759136), wk = 0.0026667 k( 283) = ( 0.0880503 0.1525076 0.4759136), wk = 0.0026667 k( 284) = ( 0.0817610 0.1416142 0.4759136), wk = 0.0026667 k( 285) = ( 0.0754717 0.1307208 0.4759136), wk = 0.0026667 k( 286) = ( 0.0691824 0.1198274 0.4759136), wk = 0.0026667 k( 287) = ( 0.0628931 0.1089340 0.4759136), wk = 0.0026667 k( 288) = ( 0.0566038 0.0980406 0.4759136), wk = 0.0026667 k( 289) = ( 0.0503145 0.0871472 0.4759136), wk = 0.0026667 k( 290) = ( 0.0440252 0.0762538 0.4759136), wk = 0.0026667 k( 291) = ( 0.0377359 0.0653604 0.4759136), wk = 0.0026667 k( 292) = ( 0.0314465 0.0544670 0.4759136), wk = 0.0026667 k( 293) = ( 0.0251572 0.0435736 0.4759136), wk = 0.0026667 k( 294) = ( 0.0188679 0.0326802 0.4759136), wk = 0.0026667 k( 295) = ( 0.0125786 0.0217868 0.4759136), wk = 0.0026667 k( 296) = ( 0.0062893 0.0108934 0.4759136), wk = 0.0026667 k( 297) = ( 0.0000000 0.0000000 0.4759136), wk = 0.0026667 k( 298) = ( 0.5000000 0.2886751 0.4759136), wk = 0.0026667 k( 299) = ( 0.5000000 0.2886751 0.4633896), wk = 0.0026667 k( 300) = ( 0.5000000 0.2886751 0.4508655), wk = 0.0026667 k( 301) = ( 0.5000000 0.2886751 0.4383415), wk = 0.0026667 k( 302) = ( 0.5000000 0.2886751 0.4258174), wk = 0.0026667 k( 303) = ( 0.5000000 0.2886751 0.4132934), wk = 0.0026667 k( 304) = ( 0.5000000 0.2886751 0.4007694), wk = 0.0026667 k( 305) = ( 0.5000000 0.2886751 0.3882453), wk = 0.0026667 k( 306) = ( 0.5000000 0.2886751 0.3757213), wk = 0.0026667 k( 307) = ( 0.5000000 0.2886751 0.3631972), wk = 0.0026667 k( 308) = ( 0.5000000 0.2886751 0.3506732), wk = 0.0026667 k( 309) = ( 0.5000000 0.2886751 0.3381492), wk = 0.0026667 k( 310) = ( 0.5000000 0.2886751 0.3256251), wk = 0.0026667 k( 311) = ( 0.5000000 0.2886751 0.3131011), wk = 0.0026667 k( 312) = ( 0.5000000 0.2886751 0.3005770), wk = 0.0026667 k( 313) = ( 0.5000000 0.2886751 0.2880530), wk = 0.0026667 k( 314) = ( 0.5000000 0.2886751 0.2755289), wk = 0.0026667 k( 315) = ( 0.5000000 0.2886751 0.2630049), wk = 0.0026667 k( 316) = ( 0.5000000 0.2886751 0.2504808), wk = 0.0026667 k( 317) = ( 0.5000000 0.2886751 0.2379568), wk = 0.0026667 k( 318) = ( 0.5000000 0.2886751 0.2254328), wk = 0.0026667 k( 319) = ( 0.5000000 0.2886751 0.2129087), wk = 0.0026667 k( 320) = ( 0.5000000 0.2886751 0.2003847), wk = 0.0026667 k( 321) = ( 0.5000000 0.2886751 0.1878606), wk = 0.0026667 k( 322) = ( 0.5000000 0.2886751 0.1753366), wk = 0.0026667 k( 323) = ( 0.5000000 0.2886751 0.1628126), wk = 0.0026667 k( 324) = ( 0.5000000 0.2886751 0.1502885), wk = 0.0026667 k( 325) = ( 0.5000000 0.2886751 0.1377645), wk = 0.0026667 k( 326) = ( 0.5000000 0.2886751 0.1252404), wk = 0.0026667 k( 327) = ( 0.5000000 0.2886751 0.1127164), wk = 0.0026667 k( 328) = ( 0.5000000 0.2886751 0.1001923), wk = 0.0026667 k( 329) = ( 0.5000000 0.2886751 0.0876683), wk = 0.0026667 k( 330) = ( 0.5000000 0.2886751 0.0751443), wk = 0.0026667 k( 331) = ( 0.5000000 0.2886751 0.0626202), wk = 0.0026667 k( 332) = ( 0.5000000 0.2886751 0.0500962), wk = 0.0026667 k( 333) = ( 0.5000000 0.2886751 0.0375721), wk = 0.0026667 k( 334) = ( 0.5000000 0.2886751 0.0250481), wk = 0.0026667 k( 335) = ( 0.5000000 0.2886751 0.0125240), wk = 0.0026667 k( 336) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 337) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 338) = ( 0.3333333 0.5773503 0.0125240), wk = 0.0026667 k( 339) = ( 0.3333333 0.5773503 0.0250481), wk = 0.0026667 k( 340) = ( 0.3333333 0.5773503 0.0375721), wk = 0.0026667 k( 341) = ( 0.3333333 0.5773503 0.0500962), wk = 0.0026667 k( 342) = ( 0.3333333 0.5773503 0.0626202), wk = 0.0026667 k( 343) = ( 0.3333333 0.5773503 0.0751443), wk = 0.0026667 k( 344) = ( 0.3333333 0.5773503 0.0876683), wk = 0.0026667 k( 345) = ( 0.3333333 0.5773503 0.1001923), wk = 0.0026667 k( 346) = ( 0.3333333 0.5773503 0.1127164), wk = 0.0026667 k( 347) = ( 0.3333333 0.5773503 0.1252404), wk = 0.0026667 k( 348) = ( 0.3333333 0.5773503 0.1377645), wk = 0.0026667 k( 349) = ( 0.3333333 0.5773503 0.1502885), wk = 0.0026667 k( 350) = ( 0.3333333 0.5773503 0.1628126), wk = 0.0026667 k( 351) = ( 0.3333333 0.5773503 0.1753366), wk = 0.0026667 k( 352) = ( 0.3333333 0.5773503 0.1878606), wk = 0.0026667 k( 353) = ( 0.3333333 0.5773503 0.2003847), wk = 0.0026667 k( 354) = ( 0.3333333 0.5773503 0.2129087), wk = 0.0026667 k( 355) = ( 0.3333333 0.5773503 0.2254328), wk = 0.0026667 k( 356) = ( 0.3333333 0.5773503 0.2379568), wk = 0.0026667 k( 357) = ( 0.3333333 0.5773503 0.2504808), wk = 0.0026667 k( 358) = ( 0.3333333 0.5773503 0.2630049), wk = 0.0026667 k( 359) = ( 0.3333333 0.5773503 0.2755289), wk = 0.0026667 k( 360) = ( 0.3333333 0.5773503 0.2880530), wk = 0.0026667 k( 361) = ( 0.3333333 0.5773503 0.3005770), wk = 0.0026667 k( 362) = ( 0.3333333 0.5773503 0.3131011), wk = 0.0026667 k( 363) = ( 0.3333333 0.5773503 0.3256251), wk = 0.0026667 k( 364) = ( 0.3333333 0.5773503 0.3381492), wk = 0.0026667 k( 365) = ( 0.3333333 0.5773503 0.3506732), wk = 0.0026667 k( 366) = ( 0.3333333 0.5773503 0.3631972), wk = 0.0026667 k( 367) = ( 0.3333333 0.5773503 0.3757213), wk = 0.0026667 k( 368) = ( 0.3333333 0.5773503 0.3882453), wk = 0.0026667 k( 369) = ( 0.3333333 0.5773503 0.4007694), wk = 0.0026667 k( 370) = ( 0.3333333 0.5773503 0.4132934), wk = 0.0026667 k( 371) = ( 0.3333333 0.5773503 0.4258174), wk = 0.0026667 k( 372) = ( 0.3333333 0.5773503 0.4383415), wk = 0.0026667 k( 373) = ( 0.3333333 0.5773503 0.4508655), wk = 0.0026667 k( 374) = ( 0.3333333 0.5773503 0.4633896), wk = 0.0026667 k( 375) = ( 0.3333333 0.5773503 0.4759136), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0108696 -0.0000000 -0.0000000), wk = 0.0026667 k( 3) = ( 0.0217391 -0.0000000 0.0000000), wk = 0.0026667 k( 4) = ( 0.0326087 -0.0000000 -0.0000000), wk = 0.0026667 k( 5) = ( 0.0434783 -0.0000000 0.0000000), wk = 0.0026667 k( 6) = ( 0.0543478 -0.0000000 0.0000000), wk = 0.0026667 k( 7) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0026667 k( 8) = ( 0.0760870 0.0000000 -0.0000000), wk = 0.0026667 k( 9) = ( 0.0869565 -0.0000000 0.0000000), wk = 0.0026667 k( 10) = ( 0.0978261 0.0000000 0.0000000), wk = 0.0026667 k( 11) = ( 0.1086957 -0.0000000 -0.0000000), wk = 0.0026667 k( 12) = ( 0.1195652 0.0000000 0.0000000), wk = 0.0026667 k( 13) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0026667 k( 14) = ( 0.1413043 -0.0000000 -0.0000000), wk = 0.0026667 k( 15) = ( 0.1521739 0.0000000 0.0000000), wk = 0.0026667 k( 16) = ( 0.1630435 0.0000000 0.0000000), wk = 0.0026667 k( 17) = ( 0.1739130 -0.0000000 0.0000000), wk = 0.0026667 k( 18) = ( 0.1847826 -0.0000000 -0.0000000), wk = 0.0026667 k( 19) = ( 0.1956522 0.0000000 -0.0000000), wk = 0.0026667 k( 20) = ( 0.2065217 0.0000000 0.0000000), wk = 0.0026667 k( 21) = ( 0.2173913 -0.0000000 -0.0000000), wk = 0.0026667 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0026667 k( 23) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0026667 k( 24) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0026667 k( 25) = ( 0.2608696 -0.0000000 0.0000000), wk = 0.0026667 k( 26) = ( 0.2717391 -0.0000000 0.0000000), wk = 0.0026667 k( 27) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0026667 k( 28) = ( 0.2934783 0.0000000 0.0000000), wk = 0.0026667 k( 29) = ( 0.3043478 -0.0000000 -0.0000000), wk = 0.0026667 k( 30) = ( 0.3152174 0.0000000 -0.0000000), wk = 0.0026667 k( 31) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0026667 k( 32) = ( 0.3369565 -0.0000000 -0.0000000), wk = 0.0026667 k( 33) = ( 0.3478261 -0.0000000 -0.0000000), wk = 0.0026667 k( 34) = ( 0.3586956 -0.0000000 -0.0000000), wk = 0.0026667 k( 35) = ( 0.3695652 -0.0000000 -0.0000000), wk = 0.0026667 k( 36) = ( 0.3804348 0.0000000 0.0000000), wk = 0.0026667 k( 37) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0026667 k( 38) = ( 0.4021739 0.0000000 -0.0000000), wk = 0.0026667 k( 39) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0026667 k( 40) = ( 0.4239130 -0.0000000 -0.0000000), wk = 0.0026667 k( 41) = ( 0.4347826 -0.0000000 -0.0000000), wk = 0.0026667 k( 42) = ( 0.4456522 -0.0000000 0.0000000), wk = 0.0026667 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0026667 k( 44) = ( 0.4673913 0.0000000 -0.0000000), wk = 0.0026667 k( 45) = ( 0.4782609 -0.0000000 -0.0000000), wk = 0.0026667 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0026667 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026667 k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026667 k( 49) = ( 0.4938272 0.0123457 0.0000000), wk = 0.0026667 k( 50) = ( 0.4876543 0.0246914 0.0000000), wk = 0.0026667 k( 51) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0026667 k( 52) = ( 0.4753086 0.0493827 0.0000000), wk = 0.0026667 k( 53) = ( 0.4691358 0.0617284 -0.0000000), wk = 0.0026667 k( 54) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0026667 k( 55) = ( 0.4567901 0.0864198 -0.0000000), wk = 0.0026667 k( 56) = ( 0.4506173 0.0987654 0.0000000), wk = 0.0026667 k( 57) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0026667 k( 58) = ( 0.4382716 0.1234568 0.0000000), wk = 0.0026667 k( 59) = ( 0.4320988 0.1358025 0.0000000), wk = 0.0026667 k( 60) = ( 0.4259259 0.1481482 -0.0000000), wk = 0.0026667 k( 61) = ( 0.4197531 0.1604938 -0.0000000), wk = 0.0026667 k( 62) = ( 0.4135802 0.1728395 -0.0000000), wk = 0.0026667 k( 63) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0026667 k( 64) = ( 0.4012346 0.1975309 -0.0000000), wk = 0.0026667 k( 65) = ( 0.3950617 0.2098765 -0.0000000), wk = 0.0026667 k( 66) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0026667 k( 67) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0026667 k( 68) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0026667 k( 69) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0026667 k( 70) = ( 0.3641975 0.2716049 -0.0000000), wk = 0.0026667 k( 71) = ( 0.3580247 0.2839506 -0.0000000), wk = 0.0026667 k( 72) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0026667 k( 73) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0026667 k( 74) = ( 0.3395062 0.3209877 0.0000000), wk = 0.0026667 k( 75) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026667 k( 76) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026667 k( 77) = ( 0.3270440 0.3270440 0.0000000), wk = 0.0026667 k( 78) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0026667 k( 79) = ( 0.3144654 0.3144654 -0.0000000), wk = 0.0026667 k( 80) = ( 0.3081761 0.3081761 -0.0000000), wk = 0.0026667 k( 81) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0026667 k( 82) = ( 0.2955975 0.2955975 0.0000000), wk = 0.0026667 k( 83) = ( 0.2893082 0.2893082 0.0000000), wk = 0.0026667 k( 84) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0026667 k( 85) = ( 0.2767296 0.2767296 0.0000000), wk = 0.0026667 k( 86) = ( 0.2704402 0.2704403 0.0000000), wk = 0.0026667 k( 87) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0026667 k( 88) = ( 0.2578616 0.2578616 0.0000000), wk = 0.0026667 k( 89) = ( 0.2515723 0.2515723 0.0000000), wk = 0.0026667 k( 90) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0026667 k( 91) = ( 0.2389937 0.2389937 0.0000000), wk = 0.0026667 k( 92) = ( 0.2327044 0.2327044 -0.0000000), wk = 0.0026667 k( 93) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0026667 k( 94) = ( 0.2201258 0.2201258 0.0000000), wk = 0.0026667 k( 95) = ( 0.2138365 0.2138365 0.0000000), wk = 0.0026667 k( 96) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0026667 k( 97) = ( 0.2012579 0.2012579 -0.0000000), wk = 0.0026667 k( 98) = ( 0.1949685 0.1949686 0.0000000), wk = 0.0026667 k( 99) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0026667 k( 100) = ( 0.1823899 0.1823899 0.0000000), wk = 0.0026667 k( 101) = ( 0.1761006 0.1761006 -0.0000000), wk = 0.0026667 k( 102) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0026667 k( 103) = ( 0.1635220 0.1635220 0.0000000), wk = 0.0026667 k( 104) = ( 0.1572327 0.1572327 -0.0000000), wk = 0.0026667 k( 105) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0026667 k( 106) = ( 0.1446541 0.1446541 0.0000000), wk = 0.0026667 k( 107) = ( 0.1383648 0.1383648 0.0000000), wk = 0.0026667 k( 108) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0026667 k( 109) = ( 0.1257862 0.1257862 0.0000000), wk = 0.0026667 k( 110) = ( 0.1194969 0.1194969 -0.0000000), wk = 0.0026667 k( 111) = ( 0.1132076 0.1132076 0.0000000), wk = 0.0026667 k( 112) = ( 0.1069182 0.1069182 0.0000000), wk = 0.0026667 k( 113) = ( 0.1006289 0.1006289 -0.0000000), wk = 0.0026667 k( 114) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0026667 k( 115) = ( 0.0880503 0.0880503 -0.0000000), wk = 0.0026667 k( 116) = ( 0.0817610 0.0817610 0.0000000), wk = 0.0026667 k( 117) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0026667 k( 118) = ( 0.0691824 0.0691824 0.0000000), wk = 0.0026667 k( 119) = ( 0.0628931 0.0628931 0.0000000), wk = 0.0026667 k( 120) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0026667 k( 121) = ( 0.0503145 0.0503145 -0.0000000), wk = 0.0026667 k( 122) = ( 0.0440252 0.0440252 -0.0000000), wk = 0.0026667 k( 123) = ( 0.0377359 0.0377359 -0.0000000), wk = 0.0026667 k( 124) = ( 0.0314465 0.0314465 0.0000000), wk = 0.0026667 k( 125) = ( 0.0251572 0.0251572 -0.0000000), wk = 0.0026667 k( 126) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0026667 k( 127) = ( 0.0125786 0.0125786 0.0000000), wk = 0.0026667 k( 128) = ( 0.0062893 0.0062893 0.0000000), wk = 0.0026667 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 131) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0026667 k( 132) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0026667 k( 133) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0026667 k( 134) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0026667 k( 135) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0026667 k( 136) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0026667 k( 137) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0026667 k( 138) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0026667 k( 139) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0026667 k( 140) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0026667 k( 141) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0026667 k( 142) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0026667 k( 143) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0026667 k( 144) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0026667 k( 145) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0026667 k( 146) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0026667 k( 147) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0026667 k( 148) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0026667 k( 149) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026667 k( 150) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0026667 k( 151) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0026667 k( 152) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0026667 k( 153) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0026667 k( 154) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0026667 k( 155) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 170) = ( 0.0108696 -0.0000000 0.5000000), wk = 0.0026667 k( 171) = ( 0.0217391 -0.0000000 0.5000000), wk = 0.0026667 k( 172) = ( 0.0326087 -0.0000000 0.5000000), wk = 0.0026667 k( 173) = ( 0.0434783 -0.0000000 0.5000000), wk = 0.0026667 k( 174) = ( 0.0543478 -0.0000000 0.5000000), wk = 0.0026667 k( 175) = ( 0.0652174 -0.0000000 0.5000000), wk = 0.0026667 k( 176) = ( 0.0760870 0.0000000 0.5000000), wk = 0.0026667 k( 177) = ( 0.0869565 -0.0000000 0.5000000), wk = 0.0026667 k( 178) = ( 0.0978261 0.0000000 0.5000000), wk = 0.0026667 k( 179) = ( 0.1086957 -0.0000000 0.5000000), wk = 0.0026667 k( 180) = ( 0.1195652 0.0000000 0.5000000), wk = 0.0026667 k( 181) = ( 0.1304348 -0.0000000 0.5000000), wk = 0.0026667 k( 182) = ( 0.1413043 -0.0000000 0.5000000), wk = 0.0026667 k( 183) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0026667 k( 184) = ( 0.1630435 0.0000000 0.5000000), wk = 0.0026667 k( 185) = ( 0.1739130 -0.0000000 0.5000000), wk = 0.0026667 k( 186) = ( 0.1847826 -0.0000000 0.5000000), wk = 0.0026667 k( 187) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0026667 k( 188) = ( 0.2065217 0.0000000 0.5000000), wk = 0.0026667 k( 189) = ( 0.2173913 -0.0000000 0.5000000), wk = 0.0026667 k( 190) = ( 0.2282609 0.0000000 0.5000000), wk = 0.0026667 k( 191) = ( 0.2391304 -0.0000000 0.5000000), wk = 0.0026667 k( 192) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026667 k( 193) = ( 0.2608696 -0.0000000 0.5000000), wk = 0.0026667 k( 194) = ( 0.2717391 -0.0000000 0.5000000), wk = 0.0026667 k( 195) = ( 0.2826087 -0.0000000 0.5000000), wk = 0.0026667 k( 196) = ( 0.2934783 0.0000000 0.5000000), wk = 0.0026667 k( 197) = ( 0.3043478 -0.0000000 0.5000000), wk = 0.0026667 k( 198) = ( 0.3152174 0.0000000 0.5000000), wk = 0.0026667 k( 199) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0026667 k( 200) = ( 0.3369565 -0.0000000 0.5000000), wk = 0.0026667 k( 201) = ( 0.3478261 -0.0000000 0.5000000), wk = 0.0026667 k( 202) = ( 0.3586956 -0.0000000 0.5000000), wk = 0.0026667 k( 203) = ( 0.3695652 -0.0000000 0.5000000), wk = 0.0026667 k( 204) = ( 0.3804348 0.0000000 0.5000000), wk = 0.0026667 k( 205) = ( 0.3913044 0.0000000 0.5000000), wk = 0.0026667 k( 206) = ( 0.4021739 0.0000000 0.5000000), wk = 0.0026667 k( 207) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0026667 k( 208) = ( 0.4239130 -0.0000000 0.5000000), wk = 0.0026667 k( 209) = ( 0.4347826 -0.0000000 0.5000000), wk = 0.0026667 k( 210) = ( 0.4456522 -0.0000000 0.5000000), wk = 0.0026667 k( 211) = ( 0.4565217 0.0000000 0.5000000), wk = 0.0026667 k( 212) = ( 0.4673913 0.0000000 0.5000000), wk = 0.0026667 k( 213) = ( 0.4782609 -0.0000000 0.5000000), wk = 0.0026667 k( 214) = ( 0.4891304 0.0000000 0.5000000), wk = 0.0026667 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 217) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0026667 k( 218) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0026667 k( 219) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0026667 k( 220) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0026667 k( 221) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0026667 k( 222) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0026667 k( 223) = ( 0.4567901 0.0864198 0.5000000), wk = 0.0026667 k( 224) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0026667 k( 225) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0026667 k( 226) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0026667 k( 227) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0026667 k( 228) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0026667 k( 229) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0026667 k( 230) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0026667 k( 231) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0026667 k( 232) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0026667 k( 233) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0026667 k( 234) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0026667 k( 235) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0026667 k( 236) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0026667 k( 237) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0026667 k( 238) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0026667 k( 239) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0026667 k( 240) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0026667 k( 241) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0026667 k( 242) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0026667 k( 243) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 k( 244) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 k( 245) = ( 0.3270440 0.3270440 0.5000000), wk = 0.0026667 k( 246) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0026667 k( 247) = ( 0.3144654 0.3144654 0.5000000), wk = 0.0026667 k( 248) = ( 0.3081761 0.3081761 0.5000000), wk = 0.0026667 k( 249) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0026667 k( 250) = ( 0.2955975 0.2955975 0.5000000), wk = 0.0026667 k( 251) = ( 0.2893082 0.2893082 0.5000000), wk = 0.0026667 k( 252) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0026667 k( 253) = ( 0.2767296 0.2767296 0.5000000), wk = 0.0026667 k( 254) = ( 0.2704402 0.2704403 0.5000000), wk = 0.0026667 k( 255) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0026667 k( 256) = ( 0.2578616 0.2578616 0.5000000), wk = 0.0026667 k( 257) = ( 0.2515723 0.2515723 0.5000000), wk = 0.0026667 k( 258) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0026667 k( 259) = ( 0.2389937 0.2389937 0.5000000), wk = 0.0026667 k( 260) = ( 0.2327044 0.2327044 0.5000000), wk = 0.0026667 k( 261) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0026667 k( 262) = ( 0.2201258 0.2201258 0.5000000), wk = 0.0026667 k( 263) = ( 0.2138365 0.2138365 0.5000000), wk = 0.0026667 k( 264) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0026667 k( 265) = ( 0.2012579 0.2012579 0.5000000), wk = 0.0026667 k( 266) = ( 0.1949685 0.1949686 0.5000000), wk = 0.0026667 k( 267) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0026667 k( 268) = ( 0.1823899 0.1823899 0.5000000), wk = 0.0026667 k( 269) = ( 0.1761006 0.1761006 0.5000000), wk = 0.0026667 k( 270) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0026667 k( 271) = ( 0.1635220 0.1635220 0.5000000), wk = 0.0026667 k( 272) = ( 0.1572327 0.1572327 0.5000000), wk = 0.0026667 k( 273) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0026667 k( 274) = ( 0.1446541 0.1446541 0.5000000), wk = 0.0026667 k( 275) = ( 0.1383648 0.1383648 0.5000000), wk = 0.0026667 k( 276) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0026667 k( 277) = ( 0.1257862 0.1257862 0.5000000), wk = 0.0026667 k( 278) = ( 0.1194969 0.1194969 0.5000000), wk = 0.0026667 k( 279) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0026667 k( 280) = ( 0.1069182 0.1069182 0.5000000), wk = 0.0026667 k( 281) = ( 0.1006289 0.1006289 0.5000000), wk = 0.0026667 k( 282) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0026667 k( 283) = ( 0.0880503 0.0880503 0.5000000), wk = 0.0026667 k( 284) = ( 0.0817610 0.0817610 0.5000000), wk = 0.0026667 k( 285) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0026667 k( 286) = ( 0.0691824 0.0691824 0.5000000), wk = 0.0026667 k( 287) = ( 0.0628931 0.0628931 0.5000000), wk = 0.0026667 k( 288) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0026667 k( 289) = ( 0.0503145 0.0503145 0.5000000), wk = 0.0026667 k( 290) = ( 0.0440252 0.0440252 0.5000000), wk = 0.0026667 k( 291) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0026667 k( 292) = ( 0.0314465 0.0314465 0.5000000), wk = 0.0026667 k( 293) = ( 0.0251572 0.0251572 0.5000000), wk = 0.0026667 k( 294) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0026667 k( 295) = ( 0.0125786 0.0125786 0.5000000), wk = 0.0026667 k( 296) = ( 0.0062893 0.0062893 0.5000000), wk = 0.0026667 k( 297) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 298) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 299) = ( 0.5000000 0.0000000 0.4868421), wk = 0.0026667 k( 300) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0026667 k( 301) = ( 0.5000000 0.0000000 0.4605263), wk = 0.0026667 k( 302) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0026667 k( 303) = ( 0.5000000 0.0000000 0.4342105), wk = 0.0026667 k( 304) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0026667 k( 305) = ( 0.5000000 0.0000000 0.4078947), wk = 0.0026667 k( 306) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0026667 k( 307) = ( 0.5000000 0.0000000 0.3815790), wk = 0.0026667 k( 308) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0026667 k( 309) = ( 0.5000000 0.0000000 0.3552632), wk = 0.0026667 k( 310) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0026667 k( 311) = ( 0.5000000 0.0000000 0.3289474), wk = 0.0026667 k( 312) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0026667 k( 313) = ( 0.5000000 0.0000000 0.3026316), wk = 0.0026667 k( 314) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0026667 k( 315) = ( 0.5000000 0.0000000 0.2763158), wk = 0.0026667 k( 316) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0026667 k( 317) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0026667 k( 318) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0026667 k( 319) = ( 0.5000000 0.0000000 0.2236842), wk = 0.0026667 k( 320) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0026667 k( 321) = ( 0.5000000 0.0000000 0.1973684), wk = 0.0026667 k( 322) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0026667 k( 323) = ( 0.5000000 0.0000000 0.1710526), wk = 0.0026667 k( 324) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0026667 k( 325) = ( 0.5000000 0.0000000 0.1447368), wk = 0.0026667 k( 326) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0026667 k( 327) = ( 0.5000000 0.0000000 0.1184210), wk = 0.0026667 k( 328) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0026667 k( 329) = ( 0.5000000 0.0000000 0.0921053), wk = 0.0026667 k( 330) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0026667 k( 331) = ( 0.5000000 0.0000000 0.0657895), wk = 0.0026667 k( 332) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0026667 k( 333) = ( 0.5000000 0.0000000 0.0394737), wk = 0.0026667 k( 334) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0026667 k( 335) = ( 0.5000000 0.0000000 0.0131579), wk = 0.0026667 k( 336) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026667 k( 337) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026667 k( 338) = ( 0.3333333 0.3333333 0.0131579), wk = 0.0026667 k( 339) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0026667 k( 340) = ( 0.3333333 0.3333333 0.0394737), wk = 0.0026667 k( 341) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0026667 k( 342) = ( 0.3333333 0.3333333 0.0657895), wk = 0.0026667 k( 343) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0026667 k( 344) = ( 0.3333333 0.3333333 0.0921053), wk = 0.0026667 k( 345) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0026667 k( 346) = ( 0.3333333 0.3333333 0.1184210), wk = 0.0026667 k( 347) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0026667 k( 348) = ( 0.3333333 0.3333333 0.1447368), wk = 0.0026667 k( 349) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0026667 k( 350) = ( 0.3333333 0.3333333 0.1710526), wk = 0.0026667 k( 351) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0026667 k( 352) = ( 0.3333333 0.3333333 0.1973684), wk = 0.0026667 k( 353) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0026667 k( 354) = ( 0.3333333 0.3333333 0.2236842), wk = 0.0026667 k( 355) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0026667 k( 356) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0026667 k( 357) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0026667 k( 358) = ( 0.3333333 0.3333333 0.2763158), wk = 0.0026667 k( 359) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0026667 k( 360) = ( 0.3333333 0.3333333 0.3026316), wk = 0.0026667 k( 361) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0026667 k( 362) = ( 0.3333333 0.3333333 0.3289474), wk = 0.0026667 k( 363) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0026667 k( 364) = ( 0.3333333 0.3333333 0.3552632), wk = 0.0026667 k( 365) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0026667 k( 366) = ( 0.3333333 0.3333333 0.3815789), wk = 0.0026667 k( 367) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0026667 k( 368) = ( 0.3333333 0.3333333 0.4078947), wk = 0.0026667 k( 369) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0026667 k( 370) = ( 0.3333333 0.3333333 0.4342105), wk = 0.0026667 k( 371) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0026667 k( 372) = ( 0.3333333 0.3333333 0.4605263), wk = 0.0026667 k( 373) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0026667 k( 374) = ( 0.3333333 0.3333333 0.4868421), wk = 0.0026667 k( 375) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 Dense grid: 39609 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 17219 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 140, 58) NL pseudopotentials 0.13 Mb ( 70, 126) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1102) G-vector shells 0.00 Mb ( 503) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 140, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.22 Mb ( 126, 2, 58) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./CO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.6 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.3 secs Computing kpt #: 14 total cpu time spent up to now is 8.8 secs Computing kpt #: 15 total cpu time spent up to now is 9.3 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 10.5 secs Computing kpt #: 18 total cpu time spent up to now is 11.0 secs Computing kpt #: 19 total cpu time spent up to now is 11.5 secs Computing kpt #: 20 total cpu time spent up to now is 12.2 secs Computing kpt #: 21 total cpu time spent up to now is 12.9 secs Computing kpt #: 22 total cpu time spent up to now is 13.6 secs Computing kpt #: 23 total cpu time spent up to now is 14.2 secs Computing kpt #: 24 total cpu time spent up to now is 15.0 secs Computing kpt #: 25 total cpu time spent up to now is 15.6 secs Computing kpt #: 26 total cpu time spent up to now is 16.5 secs Computing kpt #: 27 total cpu time spent up to now is 17.4 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.9 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 20.5 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.1 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.7 secs Computing kpt #: 32 total cpu time spent up to now is 25.0 secs Computing kpt #: 33 total cpu time spent up to now is 26.3 secs Computing kpt #: 34 total cpu time spent up to now is 27.5 secs Computing kpt #: 35 total cpu time spent up to now is 28.7 secs Computing kpt #: 36 total cpu time spent up to now is 29.8 secs Computing kpt #: 37 total cpu time spent up to now is 31.0 secs Computing kpt #: 38 total cpu time spent up to now is 32.0 secs Computing kpt #: 39 total cpu time spent up to now is 32.9 secs Computing kpt #: 40 total cpu time spent up to now is 34.2 secs Computing kpt #: 41 total cpu time spent up to now is 35.1 secs Computing kpt #: 42 total cpu time spent up to now is 36.1 secs Computing kpt #: 43 total cpu time spent up to now is 37.1 secs Computing kpt #: 44 total cpu time spent up to now is 38.0 secs Computing kpt #: 45 total cpu time spent up to now is 39.0 secs Computing kpt #: 46 total cpu time spent up to now is 40.3 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.9 secs Computing kpt #: 48 total cpu time spent up to now is 42.8 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 44.4 secs Computing kpt #: 50 total cpu time spent up to now is 45.3 secs Computing kpt #: 51 total cpu time spent up to now is 46.5 secs Computing kpt #: 52 total cpu time spent up to now is 47.4 secs Computing kpt #: 53 total cpu time spent up to now is 48.3 secs Computing kpt #: 54 total cpu time spent up to now is 49.2 secs Computing kpt #: 55 total cpu time spent up to now is 50.2 secs Computing kpt #: 56 total cpu time spent up to now is 51.2 secs Computing kpt #: 57 total cpu time spent up to now is 52.4 secs Computing kpt #: 58 total cpu time spent up to now is 53.4 secs Computing kpt #: 59 total cpu time spent up to now is 54.4 secs Computing kpt #: 60 total cpu time spent up to now is 55.4 secs Computing kpt #: 61 total cpu time spent up to now is 56.3 secs Computing kpt #: 62 total cpu time spent up to now is 57.2 secs Computing kpt #: 63 total cpu time spent up to now is 58.1 secs Computing kpt #: 64 total cpu time spent up to now is 58.9 secs Computing kpt #: 65 total cpu time spent up to now is 59.8 secs Computing kpt #: 66 total cpu time spent up to now is 60.7 secs Computing kpt #: 67 total cpu time spent up to now is 61.5 secs Computing kpt #: 68 total cpu time spent up to now is 62.4 secs Computing kpt #: 69 total cpu time spent up to now is 63.2 secs Computing kpt #: 70 total cpu time spent up to now is 64.1 secs Computing kpt #: 71 total cpu time spent up to now is 65.0 secs Computing kpt #: 72 total cpu time spent up to now is 65.9 secs Computing kpt #: 73 total cpu time spent up to now is 66.9 secs Computing kpt #: 74 total cpu time spent up to now is 67.7 secs Computing kpt #: 75 total cpu time spent up to now is 68.4 secs Computing kpt #: 76 total cpu time spent up to now is 69.0 secs Computing kpt #: 77 total cpu time spent up to now is 70.0 secs Computing kpt #: 78 total cpu time spent up to now is 71.0 secs Computing kpt #: 79 total cpu time spent up to now is 71.9 secs Computing kpt #: 80 total cpu time spent up to now is 72.8 secs Computing kpt #: 81 total cpu time spent up to now is 73.7 secs Computing kpt #: 82 total cpu time spent up to now is 74.7 secs Computing kpt #: 83 total cpu time spent up to now is 75.6 secs Computing kpt #: 84 total cpu time spent up to now is 76.6 secs Computing kpt #: 85 total cpu time spent up to now is 77.5 secs Computing kpt #: 86 total cpu time spent up to now is 79.0 secs Computing kpt #: 87 total cpu time spent up to now is 80.3 secs Computing kpt #: 88 total cpu time spent up to now is 81.2 secs Computing kpt #: 89 total cpu time spent up to now is 82.2 secs Computing kpt #: 90 total cpu time spent up to now is 83.2 secs Computing kpt #: 91 total cpu time spent up to now is 84.2 secs Computing kpt #: 92 total cpu time spent up to now is 85.2 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.8 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.4 secs Computing kpt #: 95 total cpu time spent up to now is 90.0 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.6 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.2 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.8 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.3 secs Computing kpt #: 100 total cpu time spent up to now is 97.6 secs Computing kpt #: 101 total cpu time spent up to now is 98.2 secs Computing kpt #: 102 total cpu time spent up to now is 99.0 secs Computing kpt #: 103 total cpu time spent up to now is 99.6 secs Computing kpt #: 104 total cpu time spent up to now is 100.2 secs Computing kpt #: 105 total cpu time spent up to now is 100.8 secs Computing kpt #: 106 total cpu time spent up to now is 101.4 secs Computing kpt #: 107 total cpu time spent up to now is 101.9 secs Computing kpt #: 108 total cpu time spent up to now is 102.4 secs Computing kpt #: 109 total cpu time spent up to now is 102.9 secs Computing kpt #: 110 total cpu time spent up to now is 103.5 secs Computing kpt #: 111 total cpu time spent up to now is 104.0 secs Computing kpt #: 112 total cpu time spent up to now is 104.5 secs Computing kpt #: 113 total cpu time spent up to now is 105.1 secs Computing kpt #: 114 total cpu time spent up to now is 105.7 secs Computing kpt #: 115 total cpu time spent up to now is 106.2 secs Computing kpt #: 116 total cpu time spent up to now is 106.7 secs Computing kpt #: 117 total cpu time spent up to now is 107.3 secs Computing kpt #: 118 total cpu time spent up to now is 107.8 secs Computing kpt #: 119 total cpu time spent up to now is 108.3 secs Computing kpt #: 120 total cpu time spent up to now is 108.9 secs Computing kpt #: 121 total cpu time spent up to now is 109.4 secs Computing kpt #: 122 total cpu time spent up to now is 109.9 secs Computing kpt #: 123 total cpu time spent up to now is 110.5 secs Computing kpt #: 124 total cpu time spent up to now is 111.0 secs Computing kpt #: 125 total cpu time spent up to now is 111.5 secs Computing kpt #: 126 total cpu time spent up to now is 112.1 secs Computing kpt #: 127 total cpu time spent up to now is 112.6 secs Computing kpt #: 128 total cpu time spent up to now is 113.1 secs Computing kpt #: 129 total cpu time spent up to now is 113.6 secs Computing kpt #: 130 total cpu time spent up to now is 114.1 secs Computing kpt #: 131 total cpu time spent up to now is 114.7 secs Computing kpt #: 132 total cpu time spent up to now is 115.2 secs Computing kpt #: 133 total cpu time spent up to now is 115.7 secs Computing kpt #: 134 total cpu time spent up to now is 116.3 secs Computing kpt #: 135 total cpu time spent up to now is 116.9 secs Computing kpt #: 136 total cpu time spent up to now is 117.4 secs Computing kpt #: 137 total cpu time spent up to now is 118.0 secs Computing kpt #: 138 total cpu time spent up to now is 118.6 secs Computing kpt #: 139 total cpu time spent up to now is 119.2 secs Computing kpt #: 140 total cpu time spent up to now is 119.8 secs Computing kpt #: 141 total cpu time spent up to now is 120.4 secs Computing kpt #: 142 total cpu time spent up to now is 120.9 secs Computing kpt #: 143 total cpu time spent up to now is 121.5 secs Computing kpt #: 144 total cpu time spent up to now is 122.1 secs Computing kpt #: 145 total cpu time spent up to now is 122.8 secs Computing kpt #: 146 total cpu time spent up to now is 123.3 secs Computing kpt #: 147 total cpu time spent up to now is 123.9 secs Computing kpt #: 148 total cpu time spent up to now is 124.5 secs Computing kpt #: 149 total cpu time spent up to now is 125.0 secs Computing kpt #: 150 total cpu time spent up to now is 125.5 secs Computing kpt #: 151 total cpu time spent up to now is 126.1 secs Computing kpt #: 152 total cpu time spent up to now is 126.8 secs Computing kpt #: 153 total cpu time spent up to now is 127.3 secs Computing kpt #: 154 total cpu time spent up to now is 127.9 secs Computing kpt #: 155 total cpu time spent up to now is 128.5 secs Computing kpt #: 156 total cpu time spent up to now is 129.1 secs Computing kpt #: 157 total cpu time spent up to now is 130.0 secs Computing kpt #: 158 total cpu time spent up to now is 130.8 secs Computing kpt #: 159 total cpu time spent up to now is 131.5 secs Computing kpt #: 160 total cpu time spent up to now is 132.3 secs Computing kpt #: 161 total cpu time spent up to now is 132.9 secs Computing kpt #: 162 total cpu time spent up to now is 133.6 secs Computing kpt #: 163 total cpu time spent up to now is 134.3 secs Computing kpt #: 164 total cpu time spent up to now is 135.0 secs Computing kpt #: 165 total cpu time spent up to now is 135.7 secs Computing kpt #: 166 total cpu time spent up to now is 136.3 secs Computing kpt #: 167 total cpu time spent up to now is 137.0 secs Computing kpt #: 168 total cpu time spent up to now is 137.7 secs Computing kpt #: 169 total cpu time spent up to now is 138.4 secs Computing kpt #: 170 total cpu time spent up to now is 139.0 secs Computing kpt #: 171 total cpu time spent up to now is 139.7 secs Computing kpt #: 172 total cpu time spent up to now is 140.6 secs Computing kpt #: 173 total cpu time spent up to now is 141.3 secs Computing kpt #: 174 total cpu time spent up to now is 142.0 secs Computing kpt #: 175 total cpu time spent up to now is 142.7 secs Computing kpt #: 176 total cpu time spent up to now is 143.4 secs Computing kpt #: 177 total cpu time spent up to now is 144.1 secs Computing kpt #: 178 total cpu time spent up to now is 145.0 secs Computing kpt #: 179 total cpu time spent up to now is 145.9 secs Computing kpt #: 180 total cpu time spent up to now is 146.8 secs Computing kpt #: 181 total cpu time spent up to now is 147.7 secs Computing kpt #: 182 total cpu time spent up to now is 148.5 secs Computing kpt #: 183 total cpu time spent up to now is 149.4 secs Computing kpt #: 184 total cpu time spent up to now is 150.3 secs Computing kpt #: 185 total cpu time spent up to now is 151.2 secs Computing kpt #: 186 total cpu time spent up to now is 152.1 secs Computing kpt #: 187 total cpu time spent up to now is 152.9 secs Computing kpt #: 188 total cpu time spent up to now is 154.0 secs Computing kpt #: 189 total cpu time spent up to now is 155.0 secs Computing kpt #: 190 total cpu time spent up to now is 155.9 secs Computing kpt #: 191 total cpu time spent up to now is 157.2 secs Computing kpt #: 192 total cpu time spent up to now is 158.4 secs Computing kpt #: 193 total cpu time spent up to now is 159.3 secs Computing kpt #: 194 total cpu time spent up to now is 160.2 secs Computing kpt #: 195 total cpu time spent up to now is 161.2 secs Computing kpt #: 196 total cpu time spent up to now is 162.1 secs Computing kpt #: 197 total cpu time spent up to now is 163.0 secs Computing kpt #: 198 total cpu time spent up to now is 163.9 secs Computing kpt #: 199 total cpu time spent up to now is 164.9 secs Computing kpt #: 200 total cpu time spent up to now is 165.8 secs Computing kpt #: 201 total cpu time spent up to now is 166.8 secs Computing kpt #: 202 total cpu time spent up to now is 167.7 secs Computing kpt #: 203 total cpu time spent up to now is 168.5 secs Computing kpt #: 204 total cpu time spent up to now is 169.3 secs Computing kpt #: 205 total cpu time spent up to now is 170.1 secs Computing kpt #: 206 total cpu time spent up to now is 170.9 secs Computing kpt #: 207 total cpu time spent up to now is 171.4 secs Computing kpt #: 208 total cpu time spent up to now is 172.0 secs Computing kpt #: 209 total cpu time spent up to now is 172.7 secs Computing kpt #: 210 total cpu time spent up to now is 173.2 secs Computing kpt #: 211 total cpu time spent up to now is 173.8 secs Computing kpt #: 212 total cpu time spent up to now is 174.5 secs Computing kpt #: 213 total cpu time spent up to now is 175.2 secs Computing kpt #: 214 total cpu time spent up to now is 175.8 secs Computing kpt #: 215 total cpu time spent up to now is 176.4 secs Computing kpt #: 216 total cpu time spent up to now is 177.0 secs Computing kpt #: 217 total cpu time spent up to now is 177.6 secs Computing kpt #: 218 total cpu time spent up to now is 178.3 secs Computing kpt #: 219 total cpu time spent up to now is 178.9 secs Computing kpt #: 220 total cpu time spent up to now is 179.5 secs Computing kpt #: 221 total cpu time spent up to now is 180.2 secs Computing kpt #: 222 total cpu time spent up to now is 180.8 secs Computing kpt #: 223 total cpu time spent up to now is 181.5 secs Computing kpt #: 224 total cpu time spent up to now is 182.2 secs Computing kpt #: 225 total cpu time spent up to now is 182.9 secs Computing kpt #: 226 total cpu time spent up to now is 183.6 secs Computing kpt #: 227 total cpu time spent up to now is 184.3 secs Computing kpt #: 228 total cpu time spent up to now is 185.0 secs Computing kpt #: 229 total cpu time spent up to now is 185.7 secs Computing kpt #: 230 total cpu time spent up to now is 186.5 secs Computing kpt #: 231 total cpu time spent up to now is 187.1 secs Computing kpt #: 232 total cpu time spent up to now is 187.8 secs Computing kpt #: 233 total cpu time spent up to now is 188.6 secs Computing kpt #: 234 total cpu time spent up to now is 189.3 secs Computing kpt #: 235 total cpu time spent up to now is 190.0 secs Computing kpt #: 236 total cpu time spent up to now is 190.7 secs Computing kpt #: 237 total cpu time spent up to now is 191.3 secs Computing kpt #: 238 total cpu time spent up to now is 191.8 secs Computing kpt #: 239 total cpu time spent up to now is 192.4 secs Computing kpt #: 240 total cpu time spent up to now is 193.0 secs Computing kpt #: 241 total cpu time spent up to now is 193.6 secs Computing kpt #: 242 total cpu time spent up to now is 194.1 secs Computing kpt #: 243 total cpu time spent up to now is 194.6 secs Computing kpt #: 244 total cpu time spent up to now is 195.1 secs Computing kpt #: 245 total cpu time spent up to now is 195.6 secs Computing kpt #: 246 total cpu time spent up to now is 196.1 secs Computing kpt #: 247 total cpu time spent up to now is 196.6 secs Computing kpt #: 248 total cpu time spent up to now is 197.2 secs Computing kpt #: 249 total cpu time spent up to now is 197.8 secs Computing kpt #: 250 total cpu time spent up to now is 198.4 secs Computing kpt #: 251 total cpu time spent up to now is 199.0 secs Computing kpt #: 252 total cpu time spent up to now is 199.5 secs Computing kpt #: 253 total cpu time spent up to now is 200.1 secs Computing kpt #: 254 total cpu time spent up to now is 200.7 secs Computing kpt #: 255 total cpu time spent up to now is 201.3 secs Computing kpt #: 256 total cpu time spent up to now is 201.8 secs Computing kpt #: 257 total cpu time spent up to now is 202.4 secs Computing kpt #: 258 total cpu time spent up to now is 203.0 secs Computing kpt #: 259 total cpu time spent up to now is 203.6 secs Computing kpt #: 260 total cpu time spent up to now is 204.1 secs Computing kpt #: 261 total cpu time spent up to now is 204.7 secs Computing kpt #: 262 total cpu time spent up to now is 205.3 secs Computing kpt #: 263 total cpu time spent up to now is 206.0 secs Computing kpt #: 264 total cpu time spent up to now is 206.7 secs Computing kpt #: 265 total cpu time spent up to now is 207.4 secs Computing kpt #: 266 total cpu time spent up to now is 208.2 secs Computing kpt #: 267 total cpu time spent up to now is 209.0 secs Computing kpt #: 268 total cpu time spent up to now is 210.1 secs Computing kpt #: 269 total cpu time spent up to now is 211.1 secs Computing kpt #: 270 total cpu time spent up to now is 212.2 secs Computing kpt #: 271 total cpu time spent up to now is 213.1 secs Computing kpt #: 272 total cpu time spent up to now is 214.0 secs Computing kpt #: 273 total cpu time spent up to now is 215.0 secs Computing kpt #: 274 total cpu time spent up to now is 215.9 secs Computing kpt #: 275 total cpu time spent up to now is 216.9 secs Computing kpt #: 276 total cpu time spent up to now is 217.8 secs Computing kpt #: 277 total cpu time spent up to now is 218.7 secs Computing kpt #: 278 total cpu time spent up to now is 219.6 secs Computing kpt #: 279 total cpu time spent up to now is 220.5 secs Computing kpt #: 280 total cpu time spent up to now is 221.2 secs Computing kpt #: 281 total cpu time spent up to now is 222.3 secs Computing kpt #: 282 total cpu time spent up to now is 223.1 secs Computing kpt #: 283 total cpu time spent up to now is 223.8 secs Computing kpt #: 284 total cpu time spent up to now is 224.7 secs Computing kpt #: 285 total cpu time spent up to now is 225.4 secs Computing kpt #: 286 total cpu time spent up to now is 226.3 secs Computing kpt #: 287 total cpu time spent up to now is 227.2 secs Computing kpt #: 288 total cpu time spent up to now is 228.1 secs Computing kpt #: 289 total cpu time spent up to now is 228.8 secs Computing kpt #: 290 total cpu time spent up to now is 229.7 secs Computing kpt #: 291 total cpu time spent up to now is 230.4 secs Computing kpt #: 292 total cpu time spent up to now is 231.1 secs Computing kpt #: 293 total cpu time spent up to now is 231.8 secs Computing kpt #: 294 total cpu time spent up to now is 232.5 secs Computing kpt #: 295 total cpu time spent up to now is 233.2 secs Computing kpt #: 296 total cpu time spent up to now is 233.9 secs Computing kpt #: 297 total cpu time spent up to now is 234.6 secs Computing kpt #: 298 total cpu time spent up to now is 235.2 secs Computing kpt #: 299 total cpu time spent up to now is 235.9 secs Computing kpt #: 300 total cpu time spent up to now is 236.6 secs Computing kpt #: 301 total cpu time spent up to now is 237.2 secs Computing kpt #: 302 total cpu time spent up to now is 237.9 secs Computing kpt #: 303 total cpu time spent up to now is 238.5 secs Computing kpt #: 304 total cpu time spent up to now is 239.1 secs Computing kpt #: 305 total cpu time spent up to now is 239.7 secs Computing kpt #: 306 total cpu time spent up to now is 240.3 secs Computing kpt #: 307 total cpu time spent up to now is 240.9 secs Computing kpt #: 308 total cpu time spent up to now is 241.6 secs Computing kpt #: 309 total cpu time spent up to now is 242.3 secs Computing kpt #: 310 total cpu time spent up to now is 243.0 secs Computing kpt #: 311 total cpu time spent up to now is 243.8 secs Computing kpt #: 312 total cpu time spent up to now is 244.5 secs Computing kpt #: 313 total cpu time spent up to now is 245.2 secs Computing kpt #: 314 total cpu time spent up to now is 245.9 secs Computing kpt #: 315 total cpu time spent up to now is 246.6 secs Computing kpt #: 316 total cpu time spent up to now is 247.4 secs Computing kpt #: 317 total cpu time spent up to now is 248.1 secs Computing kpt #: 318 total cpu time spent up to now is 248.9 secs Computing kpt #: 319 total cpu time spent up to now is 249.6 secs Computing kpt #: 320 total cpu time spent up to now is 250.4 secs Computing kpt #: 321 total cpu time spent up to now is 251.2 secs Computing kpt #: 322 total cpu time spent up to now is 252.1 secs Computing kpt #: 323 total cpu time spent up to now is 252.8 secs Computing kpt #: 324 total cpu time spent up to now is 253.6 secs Computing kpt #: 325 total cpu time spent up to now is 254.5 secs Computing kpt #: 326 total cpu time spent up to now is 255.3 secs Computing kpt #: 327 total cpu time spent up to now is 256.2 secs Computing kpt #: 328 total cpu time spent up to now is 257.5 secs Computing kpt #: 329 total cpu time spent up to now is 258.3 secs Computing kpt #: 330 total cpu time spent up to now is 259.1 secs Computing kpt #: 331 total cpu time spent up to now is 260.0 secs Computing kpt #: 332 total cpu time spent up to now is 260.9 secs Computing kpt #: 333 total cpu time spent up to now is 261.7 secs Computing kpt #: 334 total cpu time spent up to now is 262.6 secs Computing kpt #: 335 total cpu time spent up to now is 264.0 secs Computing kpt #: 336 total cpu time spent up to now is 265.2 secs Computing kpt #: 337 total cpu time spent up to now is 266.2 secs Computing kpt #: 338 total cpu time spent up to now is 267.2 secs Computing kpt #: 339 total cpu time spent up to now is 268.2 secs Computing kpt #: 340 total cpu time spent up to now is 269.2 secs Computing kpt #: 341 total cpu time spent up to now is 270.2 secs Computing kpt #: 342 total cpu time spent up to now is 271.5 secs Computing kpt #: 343 total cpu time spent up to now is 272.8 secs Computing kpt #: 344 total cpu time spent up to now is 273.8 secs Computing kpt #: 345 total cpu time spent up to now is 274.7 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.3 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.9 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.4 secs Computing kpt #: 349 total cpu time spent up to now is 280.7 secs Computing kpt #: 350 total cpu time spent up to now is 282.1 secs Computing kpt #: 351 total cpu time spent up to now is 283.5 secs Computing kpt #: 352 total cpu time spent up to now is 284.1 secs Computing kpt #: 353 total cpu time spent up to now is 285.1 secs Computing kpt #: 354 total cpu time spent up to now is 285.7 secs Computing kpt #: 355 total cpu time spent up to now is 286.3 secs Computing kpt #: 356 total cpu time spent up to now is 287.1 secs Computing kpt #: 357 total cpu time spent up to now is 287.9 secs Computing kpt #: 358 total cpu time spent up to now is 288.5 secs Computing kpt #: 359 total cpu time spent up to now is 289.0 secs Computing kpt #: 360 total cpu time spent up to now is 289.8 secs Computing kpt #: 361 total cpu time spent up to now is 290.4 secs Computing kpt #: 362 total cpu time spent up to now is 291.0 secs Computing kpt #: 363 total cpu time spent up to now is 291.7 secs Computing kpt #: 364 total cpu time spent up to now is 292.2 secs Computing kpt #: 365 total cpu time spent up to now is 292.8 secs Computing kpt #: 366 total cpu time spent up to now is 293.3 secs Computing kpt #: 367 total cpu time spent up to now is 293.8 secs Computing kpt #: 368 total cpu time spent up to now is 294.4 secs Computing kpt #: 369 total cpu time spent up to now is 294.9 secs Computing kpt #: 370 total cpu time spent up to now is 295.4 secs Computing kpt #: 371 total cpu time spent up to now is 295.9 secs Computing kpt #: 372 total cpu time spent up to now is 296.4 secs Computing kpt #: 373 total cpu time spent up to now is 297.0 secs Computing kpt #: 374 total cpu time spent up to now is 297.5 secs Computing kpt #: 375 total cpu time spent up to now is 297.9 secs ethr = 2.08E-08, avg # of iterations = 40.9 total cpu time spent up to now is 297.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2135 PWs) bands (ev): -17.1976 -17.1976 -13.3286 -13.3286 -13.3281 -13.3281 -11.5030 -11.5030 -11.5022 -11.5022 -11.3406 -11.3406 -5.4754 -5.4754 -5.4751 -5.4751 -2.0651 -2.0651 -1.7213 -1.7213 -1.6688 -1.6688 -1.6668 -1.6668 2.7233 2.7233 2.7242 2.7242 3.7441 3.7441 3.9233 3.9233 4.5529 4.5529 5.6631 5.6631 5.6647 5.6647 7.3792 7.3792 7.4021 7.4021 8.0491 8.0491 8.1468 8.1468 8.1526 8.1526 16.2900 16.2900 16.2958 16.2958 17.2679 17.2679 17.2691 17.2691 17.9562 17.9562 k = 0.0109 0.0063-0.0000 ( 2135 PWs) bands (ev): -17.1968 -17.1968 -13.3297 -13.3297 -13.3283 -13.3283 -11.5044 -11.5043 -11.5028 -11.5028 -11.3393 -11.3393 -5.4756 -5.4755 -5.4735 -5.4735 -2.0650 -2.0649 -1.7212 -1.7210 -1.6692 -1.6692 -1.6666 -1.6665 2.7222 2.7227 2.7241 2.7244 3.7453 3.7460 3.9235 3.9238 4.5516 4.5523 5.6644 5.6645 5.6658 5.6669 7.3774 7.3778 7.4005 7.4006 8.0484 8.0485 8.1469 8.1470 8.1526 8.1530 16.2906 16.2906 16.2964 16.2964 17.2664 17.2665 17.2688 17.2692 17.9590 17.9590 k = 0.0217 0.0126-0.0000 ( 2139 PWs) bands (ev): -17.1945 -17.1945 -13.3335 -13.3334 -13.3284 -13.3283 -11.5092 -11.5091 -11.5037 -11.5036 -11.3357 -11.3356 -5.4765 -5.4764 -5.4686 -5.4685 -2.0644 -2.0642 -1.7209 -1.7204 -1.6717 -1.6715 -1.6648 -1.6646 2.7184 2.7198 2.7252 2.7255 3.7498 3.7512 3.9246 3.9251 4.5482 4.5497 5.6674 5.6676 5.6711 5.6729 7.3719 7.3725 7.3965 7.3967 8.0463 8.0464 8.1470 8.1475 8.1529 8.1539 16.2922 16.2923 16.2982 16.2984 17.2608 17.2611 17.2693 17.2703 17.9671 17.9673 k = 0.0326 0.0188-0.0000 ( 2145 PWs) bands (ev): -17.1907 -17.1907 -13.3398 -13.3398 -13.3284 -13.3283 -11.5167 -11.5166 -11.5050 -11.5049 -11.3301 -11.3301 -5.4780 -5.4780 -5.4603 -5.4602 -2.0635 -2.0632 -1.7206 -1.7199 -1.6760 -1.6756 -1.6612 -1.6609 2.7124 2.7145 2.7270 2.7274 3.7573 3.7593 3.9263 3.9272 4.5431 4.5453 5.6720 5.6724 5.6804 5.6829 7.3615 7.3620 7.3913 7.3920 8.0429 8.0431 8.1467 8.1484 8.1535 8.1555 16.2945 16.2949 16.3016 16.3021 17.2516 17.2521 17.2705 17.2720 17.9805 17.9807 k = 0.0435 0.0251-0.0000 ( 2149 PWs) bands (ev): -17.1853 -17.1853 -13.3487 -13.3487 -13.3284 -13.3283 -11.5263 -11.5262 -11.5069 -11.5067 -11.3233 -11.3232 -5.4801 -5.4801 -5.4487 -5.4486 -2.0623 -2.0619 -1.7211 -1.7203 -1.6813 -1.6807 -1.6557 -1.6553 2.7044 2.7072 2.7296 2.7301 3.7675 3.7702 3.9288 3.9299 4.5364 4.5392 5.6782 5.6789 5.6935 5.6966 7.3451 7.3455 7.3859 7.3871 8.0384 8.0385 8.1462 8.1493 8.1549 8.1580 16.2973 16.2980 16.3068 16.3076 17.2395 17.2402 17.2722 17.2742 17.9987 17.9990 k = 0.0543 0.0314-0.0000 ( 2147 PWs) bands (ev): -17.1784 -17.1784 -13.3602 -13.3601 -13.3284 -13.3283 -11.5374 -11.5373 -11.5092 -11.5090 -11.3156 -11.3155 -5.4829 -5.4828 -5.4341 -5.4339 -2.0607 -2.0602 -1.7236 -1.7227 -1.6864 -1.6857 -1.6482 -1.6477 2.6947 2.6981 2.7330 2.7336 3.7803 3.7835 3.9320 3.9334 4.5284 4.5317 5.6861 5.6870 5.7102 5.7138 7.3230 7.3232 7.3801 7.3819 8.0326 8.0329 8.1456 8.1499 8.1571 8.1613 16.3006 16.3016 16.3136 16.3147 17.2249 17.2258 17.2743 17.2768 18.0214 18.0218 k = 0.0652 0.0377-0.0000 ( 2151 PWs) bands (ev): -17.1700 -17.1700 -13.3743 -13.3742 -13.3284 -13.3283 -11.5495 -11.5494 -11.5119 -11.5117 -11.3075 -11.3074 -5.4861 -5.4860 -5.4164 -5.4162 -2.0588 -2.0582 -1.7293 -1.7285 -1.6900 -1.6892 -1.6386 -1.6379 2.6834 2.6874 2.7372 2.7378 3.7950 3.7988 3.9358 3.9376 4.5194 4.5232 5.6955 5.6966 5.7301 5.7342 7.2954 7.2955 7.3738 7.3762 8.0258 8.0263 8.1450 8.1502 8.1603 8.1652 16.3045 16.3057 16.3218 16.3233 17.2085 17.2096 17.2768 17.2797 18.0481 18.0486 k = 0.0761 0.0439-0.0000 ( 2153 PWs) bands (ev): -17.1600 -17.1600 -13.3909 -13.3908 -13.3284 -13.3283 -11.5621 -11.5620 -11.5151 -11.5149 -11.2994 -11.2993 -5.4900 -5.4898 -5.3958 -5.3956 -2.0567 -2.0560 -1.7388 -1.7384 -1.6915 -1.6906 -1.6267 -1.6260 2.6709 2.6754 2.7420 2.7428 3.8112 3.8155 3.9403 3.9427 4.5097 4.5140 5.7063 5.7075 5.7531 5.7576 7.2627 7.2627 7.3667 7.3697 8.0181 8.0189 8.1445 8.1504 8.1643 8.1697 16.3089 16.3105 16.3314 16.3332 17.1909 17.1922 17.2794 17.2828 18.0784 18.0789 k = 0.0870 0.0502-0.0000 ( 2153 PWs) bands (ev): -17.1486 -17.1486 -13.4102 -13.4101 -13.3284 -13.3283 -11.5750 -11.5749 -11.5186 -11.5184 -11.2915 -11.2914 -5.4943 -5.4942 -5.3726 -5.3724 -2.0544 -2.0536 -1.7518 -1.7515 -1.6914 -1.6903 -1.6126 -1.6117 2.6574 2.6623 2.7477 2.7486 3.8280 3.8329 3.9457 3.9488 4.4999 4.5045 5.7182 5.7196 5.7789 5.7837 7.2251 7.2253 7.3587 7.3623 8.0096 8.0107 8.1442 8.1506 8.1690 8.1748 16.3140 16.3158 16.3419 16.3440 17.1727 17.1743 17.2820 17.2860 18.1118 18.1124 k = 0.0978 0.0565-0.0000 ( 2153 PWs) bands (ev): -17.1356 -17.1356 -13.4321 -13.4320 -13.3284 -13.3283 -11.5879 -11.5878 -11.5224 -11.5222 -11.2840 -11.2839 -5.4992 -5.4990 -5.3469 -5.3466 -2.0520 -2.0510 -1.7672 -1.7670 -1.6904 -1.6891 -1.5963 -1.5952 2.6432 2.6485 2.7541 2.7551 3.8444 3.8499 3.9524 3.9566 4.4902 4.4951 5.7311 5.7326 5.8071 5.8122 7.1832 7.1834 7.3497 7.3539 8.0005 8.0020 8.1441 8.1510 8.1743 8.1805 16.3196 16.3218 16.3533 16.3557 17.1545 17.1564 17.2847 17.2891 18.1481 18.1487 k = 0.1087 0.0628-0.0000 ( 2157 PWs) bands (ev): -17.1211 -17.1211 -13.4566 -13.4565 -13.3284 -13.3283 -11.6004 -11.6003 -11.5265 -11.5262 -11.2771 -11.2769 -5.5046 -5.5044 -5.3188 -5.3185 -2.0495 -2.0484 -1.7845 -1.7842 -1.6889 -1.6874 -1.5777 -1.5765 2.6285 2.6341 2.7612 2.7623 3.8588 3.8651 3.9613 3.9668 4.4810 4.4862 5.7447 5.7464 5.8375 5.8427 7.1371 7.1374 7.3396 7.3445 7.9908 7.9927 8.1442 8.1514 8.1803 8.1867 16.3257 16.3282 16.3651 16.3679 17.1371 17.1393 17.2871 17.2919 18.1867 18.1875 k = 0.1196 0.0690-0.0000 ( 2155 PWs) bands (ev): -17.1052 -17.1052 -13.4838 -13.4836 -13.3285 -13.3283 -11.6126 -11.6125 -11.5308 -11.5305 -11.2707 -11.2705 -5.5104 -5.5102 -5.2887 -5.2884 -2.0470 -2.0458 -1.8032 -1.8028 -1.6871 -1.6855 -1.5569 -1.5555 2.6136 2.6196 2.7691 2.7703 3.8700 3.8769 3.9736 3.9804 4.4727 4.4780 5.7588 5.7607 5.8697 5.8750 7.0874 7.0879 7.3285 7.3340 7.9807 7.9831 8.1446 8.1521 8.1868 8.1933 16.3322 16.3350 16.3772 16.3804 17.1211 17.1235 17.2893 17.2946 18.2276 18.2283 k = 0.1304 0.0753-0.0000 ( 2155 PWs) bands (ev): -17.0878 -17.0877 -13.5135 -13.5133 -13.3285 -13.3283 -11.6241 -11.6240 -11.5353 -11.5350 -11.2651 -11.2649 -5.5166 -5.5164 -5.2568 -5.2565 -2.0446 -2.0433 -1.8227 -1.8222 -1.6851 -1.6834 -1.5339 -1.5324 2.5988 2.6050 2.7776 2.7790 3.8768 3.8842 3.9898 3.9978 4.4655 4.4710 5.7731 5.7751 5.9034 5.9088 7.0346 7.0352 7.3162 7.3224 7.9705 7.9733 8.1454 8.1530 8.1937 8.2005 16.3389 16.3421 16.3892 16.3928 17.1070 17.1098 17.2912 17.2969 18.2701 18.2709 k = 0.1413 0.0816-0.0000 ( 2159 PWs) bands (ev): -17.0689 -17.0689 -13.5457 -13.5455 -13.3285 -13.3283 -11.6349 -11.6348 -11.5398 -11.5395 -11.2602 -11.2600 -5.5232 -5.5229 -5.2233 -5.2229 -2.0425 -2.0411 -1.8428 -1.8422 -1.6831 -1.6812 -1.5088 -1.5072 2.5843 2.5906 2.7869 2.7884 3.8793 3.8868 4.0099 4.0185 4.4596 4.4652 5.7872 5.7895 5.9382 5.9435 6.9794 6.9802 7.3028 7.3097 7.9601 7.9634 8.1464 8.1542 8.2011 8.2080 16.3456 16.3493 16.4011 16.4050 17.0955 17.0986 17.2926 17.2987 18.3141 18.3150 k = 0.1522 0.0879-0.0000 ( 2165 PWs) bands (ev): -17.0486 -17.0486 -13.5804 -13.5803 -13.3286 -13.3284 -11.6448 -11.6447 -11.5445 -11.5441 -11.2561 -11.2559 -5.5301 -5.5299 -5.1885 -5.1881 -2.0408 -2.0393 -1.8631 -1.8623 -1.6811 -1.6790 -1.4816 -1.4798 2.5702 2.5766 2.7968 2.7984 3.8777 3.8853 4.0327 4.0418 4.4550 4.4609 5.8008 5.8033 5.9737 5.9788 6.9224 6.9234 7.2883 7.2959 7.9498 7.9535 8.1477 8.1556 8.2089 8.2159 16.3521 16.3561 16.4126 16.4168 17.0872 17.0906 17.2937 17.3002 18.3593 18.3603 k = 0.1630 0.0941-0.0000 ( 2156 PWs) bands (ev): -17.0268 -17.0268 -13.6176 -13.6174 -13.3286 -13.3284 -11.6539 -11.6538 -11.5491 -11.5487 -11.2529 -11.2527 -5.5374 -5.5372 -5.1526 -5.1522 -2.0397 -2.0381 -1.8830 -1.8820 -1.6790 -1.6769 -1.4523 -1.4505 2.5567 2.5632 2.8074 2.8091 3.8728 3.8803 4.0575 4.0669 4.4519 4.4580 5.8134 5.8161 6.0093 6.0144 6.8648 6.8660 7.2727 7.2810 7.9397 7.9438 8.1494 8.1573 8.2170 8.2242 16.3579 16.3623 16.4239 16.4284 17.0826 17.0863 17.2944 17.3012 18.4053 18.4064 k = 0.1739 0.1004-0.0000 ( 2152 PWs) bands (ev): -17.0037 -17.0036 -13.6571 -13.6569 -13.3287 -13.3285 -11.6620 -11.6619 -11.5536 -11.5532 -11.2504 -11.2502 -5.5450 -5.5447 -5.1160 -5.1156 -2.0396 -2.0379 -1.9020 -1.9008 -1.6771 -1.6748 -1.4211 -1.4191 2.5440 2.5506 2.8185 2.8204 3.8650 3.8725 4.0833 4.0930 4.4501 4.4564 5.8244 5.8273 6.0446 6.0494 6.8075 6.8091 7.2560 7.2650 7.9300 7.9345 8.1513 8.1592 8.2254 8.2327 16.3625 16.3672 16.4352 16.4398 17.0818 17.0858 17.2948 17.3020 18.4519 18.4530 k = 0.1848 0.1067-0.0000 ( 2150 PWs) bands (ev): -16.9791 -16.9791 -13.6989 -13.6987 -13.3288 -13.3286 -11.6691 -11.6690 -11.5580 -11.5576 -11.2488 -11.2486 -5.5528 -5.5525 -5.0789 -5.0785 -2.0409 -2.0391 -1.9194 -1.9180 -1.6753 -1.6729 -1.3879 -1.3858 2.5323 2.5389 2.8303 2.8322 3.8548 3.8623 4.1096 4.1195 4.4494 4.4560 5.8331 5.8363 6.0787 6.0834 6.7522 6.7542 7.2382 7.2478 7.9208 7.9257 8.1535 8.1614 8.2340 8.2414 16.3654 16.3703 16.4469 16.4514 17.0849 17.0892 17.2952 17.3027 18.4988 18.4999 k = 0.1957 0.1130-0.0000 ( 2146 PWs) bands (ev): -16.9532 -16.9532 -13.7428 -13.7426 -13.3289 -13.3287 -11.6752 -11.6751 -11.5623 -11.5619 -11.2480 -11.2478 -5.5608 -5.5605 -5.0416 -5.0411 -2.0441 -2.0423 -1.9345 -1.9328 -1.6736 -1.6711 -1.3529 -1.3507 2.5217 2.5283 2.8425 2.8446 3.8426 3.8500 4.1359 4.1459 4.4497 4.4567 5.8386 5.8421 6.1108 6.1154 6.7007 6.7032 7.2194 7.2297 7.9123 7.9175 8.1560 8.1639 8.2427 8.2503 16.3661 16.3711 16.4596 16.4638 17.0917 17.0962 17.2958 17.3036 18.5455 18.5467 k = 0.2065 0.1192-0.0000 ( 2150 PWs) bands (ev): -16.9260 -16.9259 -13.7888 -13.7886 -13.3290 -13.3288 -11.6802 -11.6802 -11.5663 -11.5659 -11.2481 -11.2478 -5.5689 -5.5686 -5.0044 -5.0039 -2.0498 -2.0480 -1.9466 -1.9445 -1.6721 -1.6695 -1.3161 -1.3138 2.5123 2.5190 2.8552 2.8574 3.8286 3.8361 4.1616 4.1717 4.4507 4.4580 5.8398 5.8436 6.1399 6.1445 6.6552 6.6584 7.1996 7.2105 7.9045 7.9099 8.1586 8.1665 8.2515 8.2592 16.3645 16.3694 16.4734 16.4773 17.1013 17.1060 17.2973 17.3053 18.5917 18.5931 k = 0.2174 0.1255-0.0000 ( 2146 PWs) bands (ev): -16.8974 -16.8974 -13.8366 -13.8364 -13.3291 -13.3289 -11.6843 -11.6843 -11.5701 -11.5697 -11.2489 -11.2487 -5.5772 -5.5769 -4.9675 -4.9670 -2.0581 -2.0563 -1.9552 -1.9528 -1.6709 -1.6682 -1.2776 -1.2752 2.5043 2.5110 2.8683 2.8706 3.8133 3.8208 4.1864 4.1966 4.4522 4.4599 5.8354 5.8393 6.1648 6.1696 6.6184 6.6224 7.1788 7.1903 7.8977 7.9033 8.1615 8.1693 8.2603 8.2682 16.3607 16.3655 16.4887 16.4922 17.1126 17.1176 17.3006 17.3088 18.6373 18.6387 k = 0.2283 0.1318-0.0000 ( 2142 PWs) bands (ev): -16.8676 -16.8676 -13.8862 -13.8860 -13.3293 -13.3291 -11.6875 -11.6874 -11.5737 -11.5732 -11.2505 -11.2503 -5.5856 -5.5853 -4.9312 -4.9307 -2.0686 -2.0668 -1.9605 -1.9579 -1.6699 -1.6671 -1.2375 -1.2351 2.4978 2.5044 2.8817 2.8841 3.7969 3.8044 4.2098 4.2199 4.4541 4.4620 5.8241 5.8281 6.1848 6.1899 6.5926 6.5975 7.1573 7.1693 7.8919 7.8976 8.1644 8.1723 8.2691 8.2771 16.3549 16.3595 16.5054 16.5086 17.1238 17.1292 17.3070 17.3154 18.6817 18.6832 k = 0.2391 0.1381-0.0000 ( 2146 PWs) bands (ev): -16.8366 -16.8365 -13.9374 -13.9372 -13.3295 -13.3292 -11.6897 -11.6896 -11.5768 -11.5764 -11.2529 -11.2527 -5.5940 -5.5938 -4.8958 -4.8953 -2.0804 -2.0787 -1.9633 -1.9604 -1.6693 -1.6663 -1.1960 -1.1935 2.4929 2.4995 2.8954 2.8978 3.7797 3.7873 4.2311 4.2410 4.4562 4.4644 5.8048 5.8087 6.1999 6.2053 6.5795 6.5852 7.1349 7.1475 7.8872 7.8930 8.1675 8.1754 8.2778 8.2860 16.3475 16.3521 16.5236 16.5265 17.1329 17.1386 17.3183 17.3266 18.7245 18.7262 k = 0.2500 0.1443-0.0000 ( 2152 PWs) bands (ev): -16.8043 -16.8043 -13.9900 -13.9899 -13.3297 -13.3294 -11.6910 -11.6909 -11.5797 -11.5792 -11.2561 -11.2558 -5.6025 -5.6022 -4.8614 -4.8609 -2.0928 -2.0912 -1.9641 -1.9610 -1.6689 -1.6659 -1.1532 -1.1507 2.4898 2.4962 2.9092 2.9117 3.7619 3.7695 4.2498 4.2593 4.4585 4.4670 5.7771 5.7808 6.2112 6.2167 6.5786 6.5849 7.1119 7.1249 7.8838 7.8896 8.1705 8.1786 8.2863 8.2947 16.3391 16.3435 16.5432 16.5458 17.1380 17.1441 17.3357 17.3437 18.7652 18.7670 k = 0.2609 0.1506-0.0000 ( 2156 PWs) bands (ev): -16.7709 -16.7709 -14.0440 -14.0438 -13.3299 -13.3296 -11.6915 -11.6914 -11.5821 -11.5816 -11.2599 -11.2596 -5.6109 -5.6106 -4.8284 -4.8278 -2.1050 -2.1034 -1.9637 -1.9604 -1.6689 -1.6658 -1.1092 -1.1067 2.4884 2.4948 2.9230 2.9257 3.7438 3.7515 4.2651 4.2739 4.4613 4.4697 5.7417 5.7451 6.2205 6.2259 6.5883 6.5947 7.0884 7.1018 7.8816 7.8873 8.1735 8.1817 8.2947 8.3032 16.3302 16.3345 16.5642 16.5666 17.1382 17.1446 17.3597 17.3674 18.8031 18.8052 k = 0.2717 0.1569-0.0000 ( 2150 PWs) bands (ev): -16.7364 -16.7364 -14.0990 -14.0988 -13.3301 -13.3299 -11.6912 -11.6911 -11.5842 -11.5837 -11.2644 -11.2641 -5.6193 -5.6190 -4.7968 -4.7962 -2.1163 -2.1148 -1.9623 -1.9589 -1.6693 -1.6661 -1.0642 -1.0617 2.4889 2.4952 2.9369 2.9396 3.7255 3.7332 4.2762 4.2841 4.4645 4.4728 5.7000 5.7031 6.2295 6.2346 6.6056 6.6121 7.0645 7.0782 7.8808 7.8863 8.1765 8.1848 8.3028 8.3115 16.3212 16.3254 16.5865 16.5889 17.1335 17.1402 17.3897 17.3970 18.8370 18.8396 k = 0.2826 0.1632-0.0000 ( 2156 PWs) bands (ev): -16.7009 -16.7009 -14.1549 -14.1547 -13.3303 -13.3301 -11.6903 -11.6902 -11.5858 -11.5853 -11.2695 -11.2692 -5.6275 -5.6273 -4.7669 -4.7663 -2.1266 -2.1252 -1.9603 -1.9568 -1.6701 -1.6668 -1.0185 -1.0159 2.4915 2.4976 2.9506 2.9534 3.7072 3.7150 4.2825 4.2890 4.4682 4.4761 5.6540 5.6567 6.2390 6.2438 6.6281 6.6345 7.0404 7.0542 7.8812 7.8866 8.1793 8.1878 8.3107 8.3196 16.3125 16.3166 16.6101 16.6124 17.1246 17.1315 17.4247 17.4316 18.8642 18.8677 k = 0.2935 0.1694-0.0000 ( 2152 PWs) bands (ev): -16.6644 -16.6643 -14.2116 -14.2114 -13.3306 -13.3304 -11.6887 -11.6886 -11.5870 -11.5865 -11.2752 -11.2749 -5.6356 -5.6354 -4.7387 -4.7381 -2.1356 -2.1342 -1.9579 -1.9543 -1.6712 -1.6679 -0.9721 -0.9695 2.4960 2.5021 2.9640 2.9669 3.6890 3.6968 4.2833 4.2883 4.4722 4.4797 5.6057 5.6083 6.2496 6.2540 6.6538 6.6599 7.0162 7.0301 7.8830 7.8881 8.1820 8.1907 8.3183 8.3273 16.3045 16.3085 16.6349 16.6372 17.1120 17.1191 17.4635 17.4701 18.8784 18.8834 k = 0.3043 0.1757-0.0000 ( 2156 PWs) bands (ev): -16.6270 -16.6269 -14.2688 -14.2686 -13.3309 -13.3307 -11.6866 -11.6865 -11.5877 -11.5872 -11.2814 -11.2811 -5.6436 -5.6433 -4.7124 -4.7119 -2.1431 -2.1417 -1.9551 -1.9514 -1.6728 -1.6695 -0.9254 -0.9228 2.5028 2.5087 2.9771 2.9801 3.6710 3.6789 4.2784 4.2817 4.4761 4.4832 5.5573 5.5598 6.2611 6.2653 6.6809 6.6868 6.9922 7.0061 7.8861 7.8909 8.1845 8.1933 8.3256 8.3347 16.2976 16.3015 16.6608 16.6631 17.0965 17.1036 17.5052 17.5116 18.8717 18.8771 k = 0.3152 0.1820-0.0000 ( 2154 PWs) bands (ev): -16.5888 -16.5887 -14.3264 -14.3262 -13.3312 -13.3310 -11.6840 -11.6838 -11.5880 -11.5875 -11.2881 -11.2878 -5.6513 -5.6510 -4.6881 -4.6875 -2.1490 -2.1477 -1.9520 -1.9483 -1.6748 -1.6714 -0.8785 -0.8759 2.5117 2.5175 2.9898 2.9927 3.6533 3.6612 4.2677 4.2694 4.4792 4.4861 5.5106 5.5132 6.2734 6.2775 6.7084 6.7141 6.9686 6.9824 7.8903 7.8948 8.1866 8.1957 8.3326 8.3417 16.2919 16.2957 16.6878 16.6901 17.0783 17.0855 17.5490 17.5551 18.8484 18.8533 k = 0.3261 0.1883-0.0000 ( 2154 PWs) bands (ev): -16.5499 -16.5498 -14.3842 -14.3840 -13.3315 -13.3313 -11.6810 -11.6808 -11.5878 -11.5873 -11.2953 -11.2949 -5.6588 -5.6585 -4.6657 -4.6652 -2.1534 -2.1521 -1.9488 -1.9450 -1.6772 -1.6738 -0.8318 -0.8293 2.5229 2.5286 3.0019 3.0049 3.6359 3.6438 4.2509 4.2520 4.4811 4.4877 5.4671 5.4698 6.2863 6.2903 6.7354 6.7409 6.9459 6.9594 7.8957 7.8998 8.1885 8.1978 8.3392 8.3484 16.2877 16.2914 16.7157 16.7180 17.0579 17.0650 17.5941 17.6000 18.8181 18.8225 k = 0.3370 0.1945-0.0000 ( 2154 PWs) bands (ev): -16.5104 -16.5103 -14.4418 -14.4417 -13.3318 -13.3316 -11.6776 -11.6775 -11.5872 -11.5866 -11.3028 -11.3025 -5.6660 -5.6658 -4.6453 -4.6448 -2.1563 -2.1551 -1.9454 -1.9415 -1.6800 -1.6765 -0.7855 -0.7830 2.5363 2.5419 3.0133 3.0163 3.6187 3.6267 4.2280 4.2302 4.4812 4.4876 5.4280 5.4310 6.2994 6.3035 6.7608 6.7663 6.9246 6.9376 7.9021 7.9059 8.1901 8.1995 8.3455 8.3546 16.2851 16.2888 16.7442 16.7466 17.0355 17.0426 17.6399 17.6457 18.7854 18.7895 k = 0.3478 0.2008-0.0000 ( 2154 PWs) bands (ev): -16.4704 -16.4704 -14.4992 -14.4990 -13.3321 -13.3319 -11.6741 -11.6739 -11.5861 -11.5855 -11.3106 -11.3103 -5.6729 -5.6727 -4.6269 -4.6264 -2.1578 -2.1566 -1.9418 -1.9379 -1.6831 -1.6797 -0.7399 -0.7375 2.5521 2.5575 3.0240 3.0270 3.6017 3.6097 4.2002 4.2035 4.4793 4.4855 5.3941 5.3973 6.3125 6.3167 6.7833 6.7891 6.9060 6.9180 7.9094 7.9128 8.1913 8.2008 8.3514 8.3604 16.2844 16.2880 16.7734 16.7757 17.0113 17.0183 17.6860 17.6916 18.7522 18.7562 k = 0.3587 0.2071-0.0000 ( 2156 PWs) bands (ev): -16.4302 -16.4301 -14.5560 -14.5559 -13.3324 -13.3322 -11.6703 -11.6702 -11.5845 -11.5840 -11.3187 -11.3184 -5.6795 -5.6792 -4.6104 -4.6100 -2.1579 -2.1568 -1.9381 -1.9343 -1.6866 -1.6832 -0.6954 -0.6930 2.5701 2.5753 3.0339 3.0368 3.5848 3.5929 4.1680 4.1724 4.4754 4.4814 5.3659 5.3693 6.3254 6.3296 6.8002 6.8072 6.8925 6.9026 7.9175 7.9205 8.1921 8.2017 8.3569 8.3657 16.2855 16.2891 16.8028 16.8051 16.9857 16.9926 17.7315 17.7370 18.7198 18.7236 k = 0.3696 0.2134-0.0000 ( 2160 PWs) bands (ev): -16.3899 -16.3898 -14.6120 -14.6119 -13.3327 -13.3325 -11.6665 -11.6664 -11.5825 -11.5820 -11.3270 -11.3267 -5.6857 -5.6855 -4.5958 -4.5954 -2.1570 -2.1559 -1.9344 -1.9305 -1.6903 -1.6870 -0.6522 -0.6499 2.5903 2.5954 3.0429 3.0458 3.5678 3.5759 4.1322 4.1376 4.4696 4.4754 5.3433 5.3469 6.3378 6.3422 6.8072 6.8166 6.8885 6.8957 7.9261 7.9288 8.1926 8.2021 8.3621 8.3706 16.2887 16.2922 16.8321 16.8343 16.9591 16.9658 17.7759 17.7813 18.6890 18.6927 k = 0.3804 0.2196-0.0000 ( 2160 PWs) bands (ev): -16.3498 -16.3497 -14.6669 -14.6667 -13.3330 -13.3328 -11.6627 -11.6626 -11.5802 -11.5796 -11.3354 -11.3351 -5.6915 -5.6913 -4.5830 -4.5825 -2.1550 -2.1540 -1.9306 -1.9268 -1.6943 -1.6910 -0.6107 -0.6086 2.6127 2.6176 3.0511 3.0539 3.5505 3.5587 4.0936 4.0998 4.4624 4.4680 5.3261 5.3297 6.3495 6.3540 6.8028 6.8141 6.8955 6.9001 7.9352 7.9375 8.1927 8.2021 8.3669 8.3751 16.2938 16.2974 16.8603 16.8624 16.9324 16.9387 17.8186 17.8238 18.6608 18.6644 k = 0.3913 0.2259-0.0000 ( 2166 PWs) bands (ev): -16.3101 -16.3100 -14.7202 -14.7200 -13.3333 -13.3331 -11.6590 -11.6588 -11.5774 -11.5769 -11.3438 -11.3434 -5.6969 -5.6967 -4.5718 -4.5714 -2.1523 -2.1513 -1.9267 -1.9230 -1.6985 -1.6953 -0.5712 -0.5692 2.6371 2.6418 3.0583 3.0611 3.5327 3.5408 4.0534 4.0601 4.4542 4.4594 5.3136 5.3173 6.3605 6.3650 6.7920 6.8037 6.9088 6.9120 7.9445 7.9466 8.1924 8.2016 8.3713 8.3791 16.3010 16.3045 16.8813 16.8824 16.9130 16.9168 17.8587 17.8638 18.6361 18.6396 k = 0.4022 0.2322-0.0000 ( 2170 PWs) bands (ev): -16.2712 -16.2712 -14.7716 -14.7715 -13.3336 -13.3334 -11.6554 -11.6553 -11.5743 -11.5738 -11.3521 -11.3517 -5.7018 -5.7017 -4.5621 -4.5618 -2.1490 -2.1481 -1.9229 -1.9192 -1.7028 -1.6997 -0.5342 -0.5323 2.6633 2.6677 3.0647 3.0674 3.5140 3.5221 4.0128 4.0198 4.4455 4.4503 5.3052 5.3088 6.3704 6.3749 6.7791 6.7905 6.9238 6.9264 7.9539 7.9558 8.1918 8.2007 8.3753 8.3826 16.3101 16.3135 16.8654 16.8706 16.9265 16.9282 17.8954 17.9003 18.6158 18.6193 k = 0.4130 0.2385-0.0000 ( 2170 PWs) bands (ev): -16.2336 -16.2335 -14.8206 -14.8205 -13.3338 -13.3337 -11.6521 -11.6519 -11.5710 -11.5705 -11.3601 -11.3598 -5.7063 -5.7062 -4.5539 -4.5536 -2.1454 -2.1446 -1.9190 -1.9156 -1.7071 -1.7041 -0.4999 -0.4982 2.6910 2.6952 3.0703 3.0728 3.4941 3.5021 3.9731 3.9801 4.4366 4.4411 5.3002 5.3036 6.3793 6.3837 6.7664 6.7771 6.9387 6.9408 7.9631 7.9649 8.1909 8.1994 8.3789 8.3856 16.3210 16.3244 16.8374 16.8429 16.9514 16.9533 17.9280 17.9326 18.6009 18.6043 k = 0.4239 0.2447-0.0000 ( 2162 PWs) bands (ev): -16.1977 -16.1976 -14.8667 -14.8666 -13.3340 -13.3339 -11.6490 -11.6489 -11.5675 -11.5670 -11.3679 -11.3676 -5.7103 -5.7102 -4.5469 -4.5467 -2.1416 -2.1408 -1.9153 -1.9121 -1.7113 -1.7085 -0.4686 -0.4671 2.7198 2.7237 3.0751 3.0775 3.4729 3.4806 3.9356 3.9425 4.4281 4.4320 5.2976 5.3009 6.3870 6.3913 6.7548 6.7646 6.9525 6.9542 7.9720 7.9737 8.1899 8.1977 8.3822 8.3883 16.3335 16.3368 16.8082 16.8135 16.9764 16.9782 17.9557 17.9600 18.5923 18.5957 k = 0.4348 0.2510-0.0000 ( 2162 PWs) bands (ev): -16.1641 -16.1640 -14.9091 -14.9090 -13.3343 -13.3342 -11.6462 -11.6461 -11.5639 -11.5635 -11.3752 -11.3749 -5.7138 -5.7137 -4.5412 -4.5410 -2.1378 -2.1372 -1.9117 -1.9088 -1.7153 -1.7127 -0.4407 -0.4394 2.7491 2.7527 3.0793 3.0815 3.4504 3.4577 3.9017 3.9081 4.4201 4.4236 5.2969 5.2998 6.3935 6.3975 6.7447 6.7533 6.9647 6.9662 7.9804 7.9820 8.1887 8.1958 8.3851 8.3904 16.3472 16.3505 16.7794 16.7843 16.9998 17.0015 17.9781 17.9820 18.5904 18.5938 k = 0.4457 0.2573-0.0000 ( 2162 PWs) bands (ev): -16.1335 -16.1335 -14.9472 -14.9471 -13.3344 -13.3344 -11.6439 -11.6438 -11.5604 -11.5601 -11.3818 -11.3816 -5.7168 -5.7167 -4.5365 -4.5363 -2.1343 -2.1337 -1.9084 -1.9058 -1.7189 -1.7167 -0.4166 -0.4155 2.7781 2.7813 3.0828 3.0849 3.4270 3.4337 3.8722 3.8779 4.4131 4.4160 5.2974 5.2999 6.3989 6.4025 6.7362 6.7437 6.9752 6.9764 7.9880 7.9896 8.1875 8.1938 8.3876 8.3922 16.3619 16.3650 16.7517 16.7562 17.0208 17.0223 17.9951 17.9986 18.5952 18.5986 k = 0.4565 0.2636-0.0000 ( 2158 PWs) bands (ev): -16.1068 -16.1068 -14.9802 -14.9801 -13.3346 -13.3345 -11.6419 -11.6418 -11.5572 -11.5569 -11.3877 -11.3875 -5.7193 -5.7192 -4.5329 -4.5327 -2.1312 -2.1307 -1.9054 -1.9032 -1.7221 -1.7203 -0.3964 -0.3955 2.8056 2.8084 3.0859 3.0877 3.4037 3.4095 3.8479 3.8527 4.4071 4.4095 5.2985 5.3006 6.4032 6.4062 6.7296 6.7357 6.9840 6.9849 7.9947 7.9961 8.1865 8.1917 8.3898 8.3935 16.3767 16.3795 16.7261 16.7301 17.0389 17.0402 18.0073 18.0101 18.6061 18.6092 k = 0.4674 0.2698-0.0000 ( 2158 PWs) bands (ev): -16.0848 -16.0848 -15.0070 -15.0070 -13.3347 -13.3347 -11.6403 -11.6402 -11.5544 -11.5541 -11.3925 -11.3923 -5.7212 -5.7212 -4.5301 -4.5300 -2.1286 -2.1282 -1.9029 -1.9011 -1.7247 -1.7233 -0.3804 -0.3797 2.8302 2.8324 3.0885 3.0901 3.3820 3.3868 3.8291 3.8329 4.4024 4.4042 5.2999 5.3015 6.4065 6.4089 6.7247 6.7293 6.9908 6.9915 8.0003 8.0014 8.1856 8.1897 8.3916 8.3944 16.3908 16.3932 16.7037 16.7071 17.0537 17.0547 18.0153 18.0175 18.6214 18.6242 k = 0.4783 0.2761-0.0000 ( 2162 PWs) bands (ev): -16.0683 -16.0683 -15.0270 -15.0270 -13.3348 -13.3348 -11.6392 -11.6391 -11.5522 -11.5520 -11.3961 -11.3960 -5.7226 -5.7226 -4.5282 -4.5281 -2.1266 -2.1264 -1.9009 -1.8997 -1.7266 -1.7256 -0.3688 -0.3683 2.8501 2.8516 3.0907 3.0919 3.3641 3.3675 3.8160 3.8186 4.3990 4.4002 5.3012 5.3023 6.4089 6.4105 6.7215 6.7246 6.9957 6.9962 8.0045 8.0053 8.1851 8.1879 8.3930 8.3949 16.4028 16.4046 16.6860 16.6885 17.0646 17.0653 18.0202 18.0217 18.6386 18.6409 k = 0.4891 0.2824-0.0000 ( 2162 PWs) bands (ev): -16.0581 -16.0581 -15.0394 -15.0393 -13.3348 -13.3348 -11.6385 -11.6385 -11.5508 -11.5507 -11.3983 -11.3983 -5.7234 -5.7234 -4.5270 -4.5270 -2.1254 -2.1253 -1.8995 -1.8989 -1.7277 -1.7271 -0.3618 -0.3615 2.8632 2.8640 3.0923 3.0930 3.3524 3.3541 3.8085 3.8098 4.3971 4.3977 5.3022 5.3028 6.4105 6.4113 6.7199 6.7215 6.9987 6.9990 8.0072 8.0076 8.1850 8.1865 8.3940 8.3950 16.4113 16.4123 16.6747 16.6760 17.0714 17.0717 18.0228 18.0236 18.6534 18.6548 k = 0.5000 0.2887-0.0000 ( 2158 PWs) bands (ev): -16.0546 -16.0546 -15.0435 -15.0435 -13.3348 -13.3348 -11.6382 -11.6382 -11.5502 -11.5502 -11.3990 -11.3990 -5.7237 -5.7237 -4.5266 -4.5266 -2.1249 -2.1249 -1.8988 -1.8988 -1.7278 -1.7278 -0.3593 -0.3593 2.8681 2.8681 3.0932 3.0932 3.3488 3.3488 3.8064 3.8064 4.3966 4.3966 5.3028 5.3028 6.4113 6.4113 6.7199 6.7199 6.9998 6.9998 8.0082 8.0082 8.1855 8.1855 8.3947 8.3947 16.4147 16.4147 16.6712 16.6712 17.0738 17.0738 18.0239 18.0239 18.6601 18.6601 k = 0.5000 0.2887-0.0000 ( 2158 PWs) bands (ev): -16.0546 -16.0546 -15.0435 -15.0435 -13.3348 -13.3348 -11.6382 -11.6382 -11.5502 -11.5502 -11.3990 -11.3990 -5.7237 -5.7237 -4.5266 -4.5266 -2.1249 -2.1249 -1.8988 -1.8988 -1.7278 -1.7278 -0.3593 -0.3593 2.8681 2.8681 3.0932 3.0932 3.3488 3.3488 3.8064 3.8064 4.3966 4.3966 5.3028 5.3028 6.4113 6.4113 6.7199 6.7199 6.9998 6.9998 8.0082 8.0082 8.1855 8.1855 8.3947 8.3947 16.4147 16.4147 16.6712 16.6712 17.0738 17.0738 18.0239 18.0239 18.6601 18.6601 k = 0.4938 0.2994-0.0000 ( 2158 PWs) bands (ev): -16.0538 -16.0538 -15.0439 -15.0439 -13.3361 -13.3361 -11.6380 -11.6380 -11.5497 -11.5497 -11.3991 -11.3991 -5.7247 -5.7247 -4.5244 -4.5244 -2.1351 -2.1349 -1.8979 -1.8978 -1.7191 -1.7189 -0.3593 -0.3591 2.8680 2.8682 3.0920 3.0920 3.3484 3.3489 3.8073 3.8077 4.3964 4.3968 5.3027 5.3027 6.4082 6.4087 6.7203 6.7206 7.0008 7.0010 8.0084 8.0091 8.1855 8.1858 8.3949 8.3952 16.4153 16.4153 16.6714 16.6714 17.0743 17.0743 18.0219 18.0220 18.6609 18.6610 k = 0.4877 0.3101-0.0000 ( 2158 PWs) bands (ev): -16.0515 -16.0515 -15.0451 -15.0451 -13.3397 -13.3397 -11.6374 -11.6374 -11.5480 -11.5480 -11.3995 -11.3995 -5.7278 -5.7277 -4.5179 -4.5179 -2.1630 -2.1626 -1.8951 -1.8950 -1.6950 -1.6947 -0.3590 -0.3586 2.8677 2.8682 3.0887 3.0888 3.3476 3.3486 3.8103 3.8110 4.3962 4.3968 5.3024 5.3026 6.3996 6.4007 6.7217 6.7222 7.0037 7.0041 8.0096 8.0110 8.1858 8.1864 8.3958 8.3963 16.4171 16.4172 16.6720 16.6721 17.0756 17.0757 18.0159 18.0161 18.6632 18.6635 k = 0.4815 0.3208-0.0000 ( 2154 PWs) bands (ev): -16.0476 -16.0476 -15.0471 -15.0471 -13.3457 -13.3457 -11.6363 -11.6363 -11.5452 -11.5452 -11.4000 -11.4000 -5.7327 -5.7327 -4.5072 -4.5071 -2.2035 -2.2030 -1.8904 -1.8902 -1.6607 -1.6603 -0.3583 -0.3578 2.8672 2.8679 3.0836 3.0838 3.3465 3.3480 3.8153 3.8162 4.3959 4.3969 5.3021 5.3023 6.3858 6.3875 6.7241 6.7249 7.0084 7.0088 8.0119 8.0139 8.1864 8.1873 8.3973 8.3980 16.4202 16.4203 16.6730 16.6731 17.0780 17.0781 18.0065 18.0067 18.6668 18.6672 k = 0.4753 0.3314-0.0000 ( 2162 PWs) bands (ev): -16.0421 -16.0421 -15.0500 -15.0499 -13.3540 -13.3540 -11.6349 -11.6349 -11.5414 -11.5414 -11.4007 -11.4007 -5.7395 -5.7394 -4.4923 -4.4923 -2.2523 -2.2517 -1.8838 -1.8836 -1.6207 -1.6203 -0.3573 -0.3565 2.8659 2.8668 3.0774 3.0777 3.3451 3.3471 3.8221 3.8233 4.3955 4.3967 5.3016 5.3019 6.3675 6.3695 6.7275 6.7286 7.0143 7.0148 8.0152 8.0178 8.1872 8.1884 8.3995 8.4003 16.4243 16.4244 16.6743 16.6744 17.0814 17.0814 17.9941 17.9943 18.6711 18.6716 k = 0.4691 0.3421-0.0000 ( 2170 PWs) bands (ev): -16.0351 -16.0351 -15.0537 -15.0537 -13.3644 -13.3644 -11.6330 -11.6330 -11.5367 -11.5367 -11.4016 -11.4016 -5.7479 -5.7478 -4.4736 -4.4736 -2.3063 -2.3056 -1.8754 -1.8751 -1.5783 -1.5778 -0.3557 -0.3547 2.8635 2.8644 3.0707 3.0712 3.3434 3.3458 3.8304 3.8319 4.3949 4.3965 5.3009 5.3012 6.3450 6.3474 6.7319 6.7333 7.0211 7.0215 8.0196 8.0228 8.1883 8.1899 8.4021 8.4031 16.4294 16.4295 16.6758 16.6759 17.0858 17.0859 17.9795 17.9798 18.6756 18.6763 k = 0.4630 0.3528-0.0000 ( 2170 PWs) bands (ev): -16.0265 -16.0265 -15.0584 -15.0584 -13.3767 -13.3767 -11.6307 -11.6307 -11.5312 -11.5312 -11.4027 -11.4027 -5.7576 -5.7575 -4.4513 -4.4513 -2.3635 -2.3628 -1.8652 -1.8648 -1.5356 -1.5350 -0.3533 -0.3523 2.8591 2.8600 3.0646 3.0654 3.3414 3.3443 3.8401 3.8419 4.3941 4.3960 5.3000 5.3004 6.3192 6.3219 6.7372 6.7390 7.0282 7.0286 8.0250 8.0289 8.1897 8.1916 8.4053 8.4065 16.4354 16.4355 16.6774 16.6775 17.0914 17.0915 17.9635 17.9638 18.6798 18.6807 k = 0.4568 0.3635-0.0000 ( 2170 PWs) bands (ev): -16.0164 -16.0163 -15.0641 -15.0640 -13.3907 -13.3907 -11.6280 -11.6280 -11.5250 -11.5249 -11.4040 -11.4040 -5.7685 -5.7684 -4.4256 -4.4256 -2.4228 -2.4221 -1.8532 -1.8528 -1.4938 -1.4933 -0.3501 -0.3489 2.8522 2.8530 3.0601 3.0611 3.3391 3.3425 3.8510 3.8530 4.3931 4.3951 5.2989 5.2993 6.2906 6.2935 6.7436 6.7456 7.0352 7.0354 8.0315 8.0360 8.1913 8.1935 8.4089 8.4102 16.4420 16.4421 16.6789 16.6790 17.0982 17.0983 17.9468 17.9472 18.6832 18.6842 k = 0.4506 0.3742-0.0000 ( 2168 PWs) bands (ev): -16.0047 -16.0046 -15.0708 -15.0708 -13.4062 -13.4061 -11.6249 -11.6249 -11.5182 -11.5182 -11.4055 -11.4055 -5.7802 -5.7801 -4.3968 -4.3968 -2.4834 -2.4827 -1.8395 -1.8390 -1.4542 -1.4536 -0.3458 -0.3445 2.8423 2.8430 3.0578 3.0593 3.3366 3.3404 3.8628 3.8651 4.3916 4.3939 5.2975 5.2980 6.2598 6.2628 6.7509 6.7532 7.0417 7.0417 8.0390 8.0440 8.1931 8.1956 8.4128 8.4143 16.4491 16.4493 16.6803 16.6804 17.1063 17.1063 17.9303 17.9307 18.6852 18.6863 k = 0.4444 0.3849-0.0000 ( 2170 PWs) bands (ev): -15.9914 -15.9914 -15.0787 -15.0787 -13.4228 -13.4228 -11.6215 -11.6215 -11.5110 -11.5110 -11.4072 -11.4072 -5.7927 -5.7926 -4.3653 -4.3652 -2.5447 -2.5440 -1.8241 -1.8235 -1.4173 -1.4168 -0.3402 -0.3388 2.8293 2.8298 3.0581 3.0601 3.3340 3.3381 3.8755 3.8780 4.3897 4.3922 5.2958 5.2963 6.2274 6.2304 6.7591 6.7617 7.0471 7.0473 8.0475 8.0530 8.1950 8.1978 8.4170 8.4186 16.4565 16.4566 16.6813 16.6814 17.1157 17.1157 17.9146 17.9150 18.6855 18.6867 k = 0.4383 0.3956-0.0000 ( 2170 PWs) bands (ev): -15.9767 -15.9766 -15.0879 -15.0878 -13.4404 -13.4404 -11.6177 -11.6177 -11.5036 -11.5036 -11.4091 -11.4091 -5.8055 -5.8054 -4.3312 -4.3310 -2.6065 -2.6057 -1.8071 -1.8065 -1.3839 -1.3833 -0.3332 -0.3317 2.8133 2.8136 3.0612 3.0636 3.3311 3.3356 3.8888 3.8915 4.3872 4.3898 5.2938 5.2943 6.1938 6.1969 6.7682 6.7711 7.0515 7.0520 8.0568 8.0628 8.1971 8.2002 8.4215 8.4231 16.4639 16.4641 16.6818 16.6819 17.1263 17.1264 17.9004 17.9008 18.6838 18.6851 k = 0.4321 0.4063-0.0000 ( 2166 PWs) bands (ev): -15.9604 -15.9603 -15.0984 -15.0983 -13.4586 -13.4586 -11.6135 -11.6135 -11.4961 -11.4960 -11.4112 -11.4112 -5.8186 -5.8185 -4.2948 -4.2947 -2.6683 -2.6675 -1.7887 -1.7880 -1.3543 -1.3537 -0.3247 -0.3230 2.7949 2.7950 3.0668 3.0696 3.3281 3.3329 3.9027 3.9056 4.3840 4.3867 5.2914 5.2919 6.1597 6.1627 6.7781 6.7812 7.0547 7.0554 8.0670 8.0734 8.1992 8.2027 8.4261 8.4278 16.4713 16.4715 16.6817 16.6818 17.1383 17.1384 17.8881 17.8886 18.6799 18.6813 k = 0.4259 0.4170-0.0000 ( 2168 PWs) bands (ev): -15.9426 -15.9425 -15.1103 -15.1102 -13.4772 -13.4771 -11.6090 -11.6090 -11.4885 -11.4885 -11.4134 -11.4134 -5.8317 -5.8316 -4.2564 -4.2563 -2.7299 -2.7292 -1.7688 -1.7680 -1.3289 -1.3282 -0.3144 -0.3128 2.7746 2.7746 3.0743 3.0777 3.3250 3.3300 3.9171 3.9203 4.3799 4.3826 5.2887 5.2891 6.1254 6.1283 6.7887 6.7921 7.0566 7.0576 8.0778 8.0846 8.2014 8.2052 8.4307 8.4324 16.4784 16.4786 16.6810 16.6810 17.1516 17.1517 17.8784 17.8788 18.6734 18.6752 k = 0.4198 0.4277-0.0000 ( 2168 PWs) bands (ev): -15.9233 -15.9232 -15.1237 -15.1237 -13.4958 -13.4958 -11.6043 -11.6042 -11.4812 -11.4812 -11.4159 -11.4158 -5.8446 -5.8445 -4.2163 -4.2161 -2.7913 -2.7905 -1.7475 -1.7467 -1.3080 -1.3072 -0.3026 -0.3009 2.7529 2.7532 3.0835 3.0873 3.3218 3.3270 3.9321 3.9354 4.3748 4.3776 5.2855 5.2860 6.0913 6.0942 6.8000 6.8037 7.0572 7.0585 8.0892 8.0962 8.2036 8.2078 8.4353 8.4371 16.4852 16.4853 16.6795 16.6795 17.1661 17.1662 17.8714 17.8719 18.6590 18.6610 k = 0.4136 0.4384-0.0000 ( 2168 PWs) bands (ev): -15.9025 -15.9024 -15.1388 -15.1387 -13.5143 -13.5142 -11.5992 -11.5992 -11.4741 -11.4741 -11.4184 -11.4184 -5.8572 -5.8571 -4.1746 -4.1743 -2.8521 -2.8514 -1.7251 -1.7242 -1.2915 -1.2907 -0.2893 -0.2876 2.7307 2.7310 3.0938 3.0980 3.3185 3.3239 3.9476 3.9511 4.3686 4.3714 5.2821 5.2825 6.0580 6.0607 6.8119 6.8158 7.0566 7.0582 8.1009 8.1082 8.2058 8.2103 8.4398 8.4416 16.4915 16.4916 16.6772 16.6772 17.1816 17.1818 17.8676 17.8680 18.6384 18.6404 k = 0.4074 0.4491-0.0000 ( 2168 PWs) bands (ev): -15.8802 -15.8801 -15.1556 -15.1555 -13.5323 -13.5322 -11.5939 -11.5939 -11.4674 -11.4674 -11.4212 -11.4211 -5.8693 -5.8692 -4.1315 -4.1313 -2.9124 -2.9117 -1.7016 -1.7006 -1.2796 -1.2787 -0.2746 -0.2730 2.7083 2.7088 3.1049 3.1095 3.3152 3.3207 3.9637 3.9672 4.3612 4.3640 5.2783 5.2787 6.0257 6.0283 6.8243 6.8284 7.0547 7.0566 8.1128 8.1204 8.2079 8.2127 8.4442 8.4460 16.4973 16.4974 16.6740 16.6740 17.1980 17.1983 17.8669 17.8673 18.6172 18.6192 k = 0.4012 0.4597-0.0000 ( 2160 PWs) bands (ev): -15.8564 -15.8564 -15.1742 -15.1741 -13.5495 -13.5495 -11.5884 -11.5884 -11.4612 -11.4612 -11.4240 -11.4239 -5.8808 -5.8807 -4.0873 -4.0870 -2.9720 -2.9713 -1.6772 -1.6761 -1.2721 -1.2710 -0.2589 -0.2574 2.6863 2.6868 3.1166 3.1214 3.3117 3.3174 3.9803 3.9839 4.3524 4.3552 5.2742 5.2745 5.9949 5.9974 6.8370 6.8414 7.0517 7.0538 8.1248 8.1325 8.2099 8.2151 8.4484 8.4501 16.5028 16.5029 16.6699 16.6700 17.2151 17.2154 17.8694 17.8698 18.5957 18.5978 k = 0.3951 0.4704-0.0000 ( 2164 PWs) bands (ev): -15.8312 -15.8311 -15.1946 -15.1945 -13.5659 -13.5658 -11.5828 -11.5828 -11.4555 -11.4555 -11.4269 -11.4268 -5.8916 -5.8915 -4.0421 -4.0418 -3.0308 -3.0301 -1.6520 -1.6508 -1.2687 -1.2676 -0.2425 -0.2411 2.6650 2.6656 3.1284 3.1336 3.3081 3.3139 3.9974 4.0012 4.3423 4.3450 5.2698 5.2701 5.9659 5.9682 6.8501 6.8547 7.0475 7.0499 8.1366 8.1444 8.2117 8.2173 8.4524 8.4540 16.5078 16.5079 16.6650 16.6651 17.2326 17.2329 17.8749 17.8753 18.5743 18.5764 k = 0.3889 0.4811-0.0000 ( 2164 PWs) bands (ev): -15.8046 -15.8045 -15.2170 -15.2169 -13.5811 -13.5810 -11.5771 -11.5771 -11.4505 -11.4505 -11.4298 -11.4298 -5.9016 -5.9015 -3.9961 -3.9958 -3.0887 -3.0880 -1.6261 -1.6249 -1.2693 -1.2681 -0.2259 -0.2245 2.6448 2.6454 3.1402 3.1457 3.3044 3.3103 4.0151 4.0189 4.3307 4.3334 5.2653 5.2656 5.9391 5.9411 6.8633 6.8681 7.0425 7.0451 8.1482 8.1559 8.2134 8.2193 8.4561 8.4576 16.5127 16.5127 16.6592 16.6593 17.2502 17.2505 17.8833 17.8836 18.5532 18.5554 k = 0.3827 0.4918-0.0000 ( 2166 PWs) bands (ev): -15.7765 -15.7764 -15.2413 -15.2412 -13.5950 -13.5949 -11.5713 -11.5713 -11.4463 -11.4462 -11.4327 -11.4327 -5.9107 -5.9106 -3.9494 -3.9491 -3.1458 -3.1451 -1.5999 -1.5985 -1.2735 -1.2721 -0.2093 -0.2081 2.6259 2.6266 3.1520 3.1577 3.3004 3.3063 4.0333 4.0371 4.3176 4.3203 5.2607 5.2609 5.9146 5.9164 6.8766 6.8816 7.0365 7.0394 8.1592 8.1669 8.2148 8.2211 8.4595 8.4609 16.5174 16.5175 16.6527 16.6528 17.2675 17.2679 17.8940 17.8944 18.5329 18.5351 k = 0.3765 0.5025-0.0000 ( 2172 PWs) bands (ev): -15.7470 -15.7469 -15.2676 -15.2674 -13.6075 -13.6074 -11.5657 -11.5656 -11.4428 -11.4427 -11.4356 -11.4355 -5.9189 -5.9188 -3.9022 -3.9018 -3.2019 -3.2012 -1.5733 -1.5719 -1.2809 -1.2794 -0.1934 -0.1923 2.6088 2.6095 3.1635 3.1694 3.2961 3.3021 4.0519 4.0557 4.3032 4.3058 5.2561 5.2563 5.8927 5.8943 6.8898 6.8949 7.0298 7.0330 8.1697 8.1772 8.2159 8.2227 8.4625 8.4638 16.5223 16.5224 16.6454 16.6455 17.2842 17.2846 17.9067 17.9070 18.5138 18.5159 k = 0.3704 0.5132-0.0000 ( 2168 PWs) bands (ev): -15.7161 -15.7160 -15.2958 -15.2956 -13.6183 -13.6183 -11.5602 -11.5602 -11.4401 -11.4400 -11.4382 -11.4381 -5.9260 -5.9259 -3.8546 -3.8541 -3.2569 -3.2562 -1.5467 -1.5452 -1.2913 -1.2897 -0.1785 -0.1776 2.5935 2.5942 3.1748 3.1809 3.2914 3.2974 4.0709 4.0746 4.2876 4.2901 5.2516 5.2518 5.8737 5.8750 6.9028 6.9081 7.0225 7.0259 8.1793 8.1866 8.2167 8.2240 8.4651 8.4663 16.5276 16.5277 16.6374 16.6375 17.3000 17.3004 17.9208 17.9211 18.4962 18.4984 k = 0.3642 0.5239-0.0000 ( 2168 PWs) bands (ev): -15.6839 -15.6838 -15.3259 -15.3258 -13.6276 -13.6276 -11.5550 -11.5550 -11.4405 -11.4405 -11.4381 -11.4380 -5.9321 -5.9320 -3.8066 -3.8061 -3.3110 -3.3103 -1.5203 -1.5186 -1.3042 -1.3025 -0.1650 -0.1642 2.5804 2.5810 3.1859 3.1921 3.2860 3.2920 4.0901 4.0938 4.2709 4.2734 5.2474 5.2475 5.8576 5.8587 6.9155 6.9209 7.0147 7.0182 8.1880 8.1950 8.2172 8.2251 8.4674 8.4684 16.5334 16.5335 16.6288 16.6288 17.3142 17.3146 17.9354 17.9357 18.4807 18.4829 k = 0.3580 0.5346-0.0000 ( 2172 PWs) bands (ev): -15.6503 -15.6502 -15.3579 -15.3578 -13.6352 -13.6351 -11.5504 -11.5503 -11.4423 -11.4423 -11.4371 -11.4370 -5.9371 -5.9371 -3.7584 -3.7579 -3.3640 -3.3633 -1.4942 -1.4924 -1.3195 -1.3176 -0.1533 -0.1527 2.5695 2.5700 3.1969 3.2031 3.2798 3.2859 4.1093 4.1129 4.2534 4.2558 5.2436 5.2437 5.8445 5.8453 6.9277 6.9332 7.0064 7.0102 8.1957 8.2021 8.2174 8.2259 8.4693 8.4701 16.5399 16.5401 16.6195 16.6195 17.3267 17.3270 17.9497 17.9499 18.4677 18.4698 k = 0.3519 0.5453-0.0000 ( 2172 PWs) bands (ev): -15.6154 -15.6153 -15.3917 -15.3916 -13.6410 -13.6410 -11.5464 -11.5464 -11.4435 -11.4434 -11.4368 -11.4367 -5.9410 -5.9410 -3.7102 -3.7096 -3.4159 -3.4152 -1.4686 -1.4668 -1.3367 -1.3347 -0.1438 -0.1433 2.5609 2.5614 3.2078 3.2141 3.2727 3.2788 4.1284 4.1318 4.2354 4.2379 5.2403 5.2404 5.8344 5.8351 6.9394 6.9450 6.9979 7.0018 8.2022 8.2078 8.2171 8.2266 8.4708 8.4714 16.5474 16.5476 16.6095 16.6096 17.3368 17.3371 17.9627 17.9629 18.4577 18.4598 k = 0.3457 0.5560-0.0000 ( 2176 PWs) bands (ev): -15.5792 -15.5791 -15.4272 -15.4271 -13.6451 -13.6451 -11.5434 -11.5434 -11.4438 -11.4437 -11.4374 -11.4373 -5.9438 -5.9438 -3.6618 -3.6612 -3.4668 -3.4661 -1.4439 -1.4419 -1.3555 -1.3535 -0.1367 -0.1364 2.5548 2.5552 3.2188 3.2251 3.2643 3.2705 4.1470 4.1504 4.2174 4.2198 5.2378 5.2379 5.8274 5.8278 6.9502 6.9560 6.9892 6.9931 8.2074 8.2119 8.2165 8.2271 8.4718 8.4722 16.5559 16.5561 16.5991 16.5992 17.3444 17.3446 17.9733 17.9734 18.4511 18.4531 k = 0.3395 0.5667-0.0000 ( 2180 PWs) bands (ev): -15.5417 -15.5416 -15.4643 -15.4642 -13.6476 -13.6476 -11.5415 -11.5415 -11.4430 -11.4429 -11.4388 -11.4387 -5.9455 -5.9455 -3.6135 -3.6129 -3.5165 -3.5159 -1.4201 -1.4180 -1.3759 -1.3738 -0.1322 -0.1321 2.5512 2.5514 3.2302 3.2364 3.2546 3.2608 4.1650 4.1682 4.1997 4.2021 5.2362 5.2362 5.8233 5.8235 6.9600 6.9662 6.9807 6.9844 8.2111 8.2142 8.2156 8.2276 8.4725 8.4727 16.5656 16.5659 16.5880 16.5883 17.3491 17.3492 17.9803 17.9804 18.4481 18.4501 k = 0.3333 0.5774-0.0000 ( 2172 PWs) bands (ev): -15.5030 -15.5029 -15.5029 -15.5028 -13.6484 -13.6484 -11.5408 -11.5408 -11.4413 -11.4413 -11.4408 -11.4406 -5.9460 -5.9460 -3.5655 -3.5655 -3.5650 -3.5637 -1.3991 -1.3958 -1.3958 -1.3946 -0.1307 -0.1307 2.5501 2.5501 3.2397 3.2456 3.2456 3.2521 4.1795 4.1851 4.1853 4.1853 5.2356 5.2356 5.8220 5.8220 6.9658 6.9753 6.9753 6.9759 8.2128 8.2149 8.2149 8.2279 8.4728 8.4728 16.5766 16.5766 16.5767 16.5774 17.3507 17.3507 17.9829 17.9829 18.4500 18.4511 k = 0.3333 0.5774-0.0000 ( 2172 PWs) bands (ev): -15.5030 -15.5029 -15.5029 -15.5028 -13.6484 -13.6484 -11.5408 -11.5408 -11.4413 -11.4413 -11.4408 -11.4406 -5.9460 -5.9460 -3.5655 -3.5655 -3.5650 -3.5637 -1.3991 -1.3958 -1.3958 -1.3946 -0.1307 -0.1307 2.5501 2.5501 3.2397 3.2456 3.2456 3.2521 4.1795 4.1851 4.1853 4.1853 5.2356 5.2356 5.8220 5.8220 6.9658 6.9753 6.9753 6.9759 8.2128 8.2149 8.2149 8.2279 8.4728 8.4728 16.5766 16.5766 16.5767 16.5774 17.3507 17.3507 17.9829 17.9829 18.4489 18.4517 k = 0.3270 0.5665-0.0000 ( 2174 PWs) bands (ev): -15.5438 -15.5436 -15.4622 -15.4621 -13.6476 -13.6476 -11.5415 -11.5415 -11.4440 -11.4439 -11.4378 -11.4377 -5.9455 -5.9455 -3.6138 -3.6132 -3.5162 -3.5155 -1.4205 -1.4181 -1.3758 -1.3735 -0.1323 -0.1322 2.5512 2.5514 3.2285 3.2348 3.2563 3.2625 4.1659 4.1691 4.1989 4.2012 5.2363 5.2363 5.8233 5.8235 6.9602 6.9667 6.9803 6.9841 8.2115 8.2143 8.2151 8.2275 8.4725 8.4727 16.5644 16.5649 16.5891 16.5895 17.3490 17.3492 17.9801 17.9802 18.4489 18.4511 k = 0.3208 0.5556-0.0000 ( 2174 PWs) bands (ev): -15.5858 -15.5857 -15.4203 -15.4202 -13.6452 -13.6452 -11.5435 -11.5435 -11.4478 -11.4476 -11.4334 -11.4333 -5.9438 -5.9437 -3.6613 -3.6607 -3.4674 -3.4667 -1.4442 -1.4418 -1.3557 -1.3533 -0.1373 -0.1370 2.5547 2.5551 3.2127 3.2191 3.2708 3.2767 4.1513 4.1546 4.2136 4.2158 5.2383 5.2384 5.8272 5.8276 6.9518 6.9580 6.9872 6.9914 8.2093 8.2127 8.2143 8.2261 8.4718 8.4722 16.5518 16.5525 16.6029 16.6035 17.3441 17.3444 17.9716 17.9718 18.4538 18.4555 k = 0.3145 0.5447-0.0000 ( 2170 PWs) bands (ev): -15.6291 -15.6290 -15.3772 -15.3770 -13.6414 -13.6414 -11.5466 -11.5466 -11.4522 -11.4520 -11.4279 -11.4278 -5.9409 -5.9409 -3.7078 -3.7072 -3.4188 -3.4180 -1.4687 -1.4662 -1.3374 -1.3348 -0.1456 -0.1452 2.5603 2.5610 3.1945 3.2009 3.2870 3.2928 4.1385 4.1421 4.2266 4.2286 5.2420 5.2420 5.8335 5.8341 6.9432 6.9496 6.9932 6.9974 8.2066 8.2102 8.2120 8.2235 8.4708 8.4714 16.5388 16.5397 16.6180 16.6187 17.3361 17.3366 17.9579 17.9582 18.4638 18.4654 k = 0.3082 0.5338-0.0000 ( 2170 PWs) bands (ev): -15.6733 -15.6732 -15.3329 -15.3327 -13.6362 -13.6362 -11.5506 -11.5506 -11.4572 -11.4571 -11.4216 -11.4215 -5.9371 -5.9370 -3.7533 -3.7527 -3.3704 -3.3696 -1.4936 -1.4910 -1.3210 -1.3182 -0.1573 -0.1567 2.5678 2.5688 3.1738 3.1804 3.3053 3.3108 4.1279 4.1316 4.2378 4.2395 5.2472 5.2472 5.8420 5.8428 6.9349 6.9415 6.9981 7.0022 8.2034 8.2068 8.2081 8.2197 8.4694 8.4701 16.5255 16.5265 16.6343 16.6351 17.3253 17.3261 17.9395 17.9399 18.4780 18.4794 k = 0.3019 0.5229-0.0000 ( 2170 PWs) bands (ev): -15.7184 -15.7183 -15.2874 -15.2873 -13.6298 -13.6297 -11.5555 -11.5555 -11.4628 -11.4626 -11.4146 -11.4145 -5.9321 -5.9321 -3.7979 -3.7973 -3.3223 -3.3215 -1.5188 -1.5162 -1.3065 -1.3036 -0.1724 -0.1717 2.5769 2.5782 3.1509 3.1576 3.3261 3.3313 4.1194 4.1235 4.2468 4.2482 5.2541 5.2542 5.8525 5.8535 6.9270 6.9339 7.0015 7.0054 8.1998 8.2026 8.2027 8.2149 8.4677 8.4685 16.5118 16.5130 16.6516 16.6525 17.3122 17.3132 17.9173 17.9178 18.4956 18.4968 k = 0.2956 0.5120-0.0000 ( 2170 PWs) bands (ev): -15.7643 -15.7641 -15.2409 -15.2408 -13.6222 -13.6221 -11.5610 -11.5610 -11.4689 -11.4687 -11.4071 -11.4070 -5.9262 -5.9261 -3.8416 -3.8410 -3.2745 -3.2736 -1.5441 -1.5415 -1.2941 -1.2911 -0.1909 -0.1901 2.5873 2.5889 3.1257 3.1325 3.3496 3.3546 4.1133 4.1176 4.2536 4.2548 5.2628 5.2629 5.8647 5.8660 6.9196 6.9269 7.0035 7.0072 8.1947 8.1969 8.1972 8.2094 8.4656 8.4665 16.4978 16.4992 16.6697 16.6707 17.2970 17.2983 17.8921 17.8927 18.5156 18.5167 k = 0.2893 0.5011-0.0000 ( 2166 PWs) bands (ev): -15.8107 -15.8106 -15.1934 -15.1932 -13.6136 -13.6135 -11.5671 -11.5671 -11.4754 -11.4752 -11.3992 -11.3991 -5.9193 -5.9192 -3.8844 -3.8838 -3.2269 -3.2260 -1.5695 -1.5669 -1.2838 -1.2807 -0.2128 -0.2119 2.5986 2.6006 3.0986 3.1055 3.3763 3.3809 4.1093 4.1139 4.2582 4.2591 5.2731 5.2733 5.8785 5.8800 6.9129 6.9205 7.0040 7.0073 8.1864 8.1901 8.1927 8.2039 8.4631 8.4641 16.4835 16.4852 16.6883 16.6895 17.2802 17.2818 17.8648 17.8655 18.5374 18.5383 k = 0.2830 0.4902-0.0000 ( 2166 PWs) bands (ev): -15.8575 -15.8574 -15.1449 -15.1447 -13.6041 -13.6040 -11.5736 -11.5735 -11.4823 -11.4821 -11.3910 -11.3909 -5.9115 -5.9114 -3.9265 -3.9259 -3.1797 -3.1788 -1.5949 -1.5921 -1.2757 -1.2724 -0.2378 -0.2368 2.6106 2.6129 3.0697 3.0768 3.4063 3.4106 4.1074 4.1123 4.2605 4.2611 5.2851 5.2854 5.8935 5.8953 6.9068 6.9149 7.0028 7.0058 8.1763 8.1810 8.1886 8.1987 8.4603 8.4613 16.4691 16.4710 16.7073 16.7087 17.2623 17.2642 17.8361 17.8368 18.5603 18.5611 k = 0.2767 0.4793-0.0000 ( 2168 PWs) bands (ev): -15.9047 -15.9046 -15.0954 -15.0953 -13.5938 -13.5937 -11.5803 -11.5803 -11.4894 -11.4892 -11.3827 -11.3825 -5.9028 -5.9028 -3.9679 -3.9673 -3.1328 -3.1319 -1.6200 -1.6172 -1.2697 -1.2663 -0.2660 -0.2649 2.6228 2.6254 3.0395 3.0467 3.4398 3.4438 4.1073 4.1125 4.2606 4.2609 5.2988 5.2991 5.9095 5.9116 6.9016 6.9101 6.9998 7.0025 8.1648 8.1702 8.1844 8.1938 8.4571 8.4581 16.4546 16.4568 16.7263 16.7278 17.2436 17.2459 17.8064 17.8073 18.5838 18.5844 k = 0.2704 0.4684-0.0000 ( 2164 PWs) bands (ev): -15.9521 -15.9520 -15.0451 -15.0449 -13.5829 -13.5828 -11.5874 -11.5874 -11.4967 -11.4965 -11.3742 -11.3740 -5.8934 -5.8933 -4.0087 -4.0081 -3.0863 -3.0853 -1.6448 -1.6420 -1.2658 -1.2623 -0.2970 -0.2959 2.6350 2.6380 3.0082 3.0155 3.4769 3.4807 4.1088 4.1142 4.2585 4.2586 5.3140 5.3144 5.9262 5.9286 6.8973 6.9063 6.9951 6.9974 8.1521 8.1579 8.1803 8.1892 8.4535 8.4545 16.4400 16.4425 16.7450 16.7466 17.2246 17.2271 17.7764 17.7773 18.6077 18.6081 k = 0.2642 0.4575-0.0000 ( 2156 PWs) bands (ev): -15.9996 -15.9995 -14.9939 -14.9937 -13.5713 -13.5712 -11.5946 -11.5946 -11.5041 -11.5039 -11.3656 -11.3655 -5.8832 -5.8831 -4.0490 -4.0484 -3.0400 -3.0390 -1.6692 -1.6664 -1.2639 -1.2604 -0.3309 -0.3297 2.6470 2.6503 2.9762 2.9836 3.5176 3.5211 4.1116 4.1172 4.2543 4.2545 5.3307 5.3312 5.9435 5.9462 6.8940 6.9036 6.9886 6.9904 8.1383 8.1445 8.1763 8.1849 8.4495 8.4505 16.4256 16.4283 16.7629 16.7646 17.2054 17.2083 17.7464 17.7474 18.6316 18.6318 k = 0.2579 0.4466-0.0000 ( 2158 PWs) bands (ev): -16.0470 -16.0469 -14.9420 -14.9418 -13.5594 -13.5593 -11.6019 -11.6019 -11.5115 -11.5113 -11.3571 -11.3570 -5.8723 -5.8722 -4.0888 -4.0882 -2.9941 -2.9930 -1.6931 -1.6903 -1.2641 -1.2605 -0.3674 -0.3662 2.6587 2.6622 2.9439 2.9513 3.5617 3.5649 4.1152 4.1211 4.2482 4.2486 5.3488 5.3494 5.9609 5.9639 6.8918 6.9019 6.9802 6.9815 8.1235 8.1299 8.1724 8.1807 8.4451 8.4461 16.4113 16.4143 16.7798 16.7816 17.1864 17.1896 17.7167 17.7180 18.6556 18.6556 k = 0.2516 0.4357-0.0000 ( 2162 PWs) bands (ev): -16.0943 -16.0943 -14.8893 -14.8892 -13.5471 -13.5470 -11.6093 -11.6092 -11.5189 -11.5187 -11.3486 -11.3485 -5.8608 -5.8607 -4.1282 -4.1277 -2.9484 -2.9474 -1.7165 -1.7137 -1.2662 -1.2624 -0.4063 -0.4051 2.6698 2.6736 2.9115 2.9191 3.6089 3.6119 4.1196 4.1257 4.2404 4.2411 5.3683 5.3690 5.9781 5.9815 6.8909 6.9015 6.9698 6.9707 8.1079 8.1145 8.1688 8.1768 8.4402 8.4411 16.3973 16.4006 16.7952 16.7971 17.1677 17.1713 17.6878 17.6892 18.6792 18.6794 k = 0.2453 0.4248-0.0000 ( 2158 PWs) bands (ev): -16.1414 -16.1413 -14.8361 -14.8359 -13.5346 -13.5345 -11.6166 -11.6166 -11.5262 -11.5259 -11.3402 -11.3401 -5.8488 -5.8487 -4.1674 -4.1669 -2.9031 -2.9020 -1.7392 -1.7364 -1.2701 -1.2662 -0.4474 -0.4461 2.6804 2.6844 2.8794 2.8871 3.6588 3.6616 4.1243 4.1306 4.2313 4.2322 5.3891 5.3900 5.9951 5.9988 6.8913 6.9025 6.9576 6.9580 8.0917 8.0985 8.1655 8.1733 8.4349 8.4358 16.3838 16.3873 16.8088 16.8107 17.1496 17.1536 17.6599 17.6615 18.7028 18.7033 k = 0.2390 0.4139-0.0000 ( 2152 PWs) bands (ev): -16.1882 -16.1881 -14.7822 -14.7820 -13.5219 -13.5218 -11.6239 -11.6239 -11.5333 -11.5330 -11.3320 -11.3318 -5.8362 -5.8361 -4.2064 -4.2059 -2.8581 -2.8570 -1.7613 -1.7584 -1.2756 -1.2717 -0.4905 -0.4891 2.6904 2.6946 2.8480 2.8557 3.7110 3.7136 4.1291 4.1356 4.2209 4.2220 5.4115 5.4124 6.0113 6.0154 6.8931 6.9049 6.9433 6.9434 8.0751 8.0821 8.1626 8.1701 8.4292 8.4300 16.3708 16.3746 16.8202 16.8220 17.1322 17.1365 17.6332 17.6351 18.7264 18.7271 k = 0.2327 0.4031-0.0000 ( 2154 PWs) bands (ev): -16.2345 -16.2344 -14.7279 -14.7277 -13.5093 -13.5091 -11.6311 -11.6311 -11.5400 -11.5397 -11.3239 -11.3237 -5.8233 -5.8232 -4.2453 -4.2447 -2.8134 -2.8123 -1.7825 -1.7797 -1.2828 -1.2788 -0.5352 -0.5338 2.6998 2.7041 2.8173 2.8251 3.7647 3.7673 4.1338 4.1405 4.2095 4.2108 5.4354 5.4364 6.0265 6.0311 6.8963 6.9087 6.9267 6.9274 8.0582 8.0654 8.1600 8.1673 8.4230 8.4237 16.3586 16.3626 16.8290 16.8308 17.1156 17.1201 17.6078 17.6101 18.7499 18.7509 k = 0.2264 0.3922-0.0000 ( 2150 PWs) bands (ev): -16.2803 -16.2803 -14.6731 -14.6729 -13.4966 -13.4965 -11.6382 -11.6382 -11.5465 -11.5461 -11.3160 -11.3159 -5.8099 -5.8098 -4.2841 -4.2836 -2.7690 -2.7679 -1.8030 -1.8001 -1.2914 -1.2874 -0.5814 -0.5800 2.7087 2.7131 2.7877 2.7955 3.8195 3.8220 4.1381 4.1449 4.1974 4.1988 5.4610 5.4621 6.0404 6.0454 6.9007 6.9076 6.9101 6.9149 8.0414 8.0488 8.1578 8.1649 8.4163 8.4170 16.3472 16.3515 16.8350 16.8366 17.0997 17.1046 17.5841 17.5867 18.7736 18.7749 k = 0.2201 0.3813-0.0000 ( 2154 PWs) bands (ev): -16.3256 -16.3255 -14.6180 -14.6178 -13.4842 -13.4840 -11.6450 -11.6450 -11.5525 -11.5521 -11.3084 -11.3082 -5.7963 -5.7962 -4.3231 -4.3226 -2.7249 -2.7237 -1.8226 -1.8198 -1.3013 -1.2973 -0.6288 -0.6275 2.7170 2.7215 2.7594 2.7672 3.8744 3.8770 4.1418 4.1488 4.1847 4.1863 5.4884 5.4896 6.0528 6.0581 6.8877 6.8890 6.9087 6.9218 8.0246 8.0322 8.1561 8.1629 8.4092 8.4098 16.3368 16.3413 16.8379 16.8393 17.0847 17.0898 17.5620 17.5651 18.7976 18.7991 k = 0.2138 0.3704-0.0000 ( 2154 PWs) bands (ev): -16.3702 -16.3701 -14.5627 -14.5625 -13.4719 -13.4717 -11.6516 -11.6515 -11.5580 -11.5577 -11.3010 -11.3009 -5.7824 -5.7824 -4.3621 -4.3616 -2.6811 -2.6799 -1.8413 -1.8385 -1.3125 -1.3084 -0.6771 -0.6758 2.7245 2.7293 2.7329 2.7404 3.9288 3.9315 4.1448 4.1518 4.1717 4.1734 5.5179 5.5192 6.0633 6.0689 6.8658 6.8678 6.9169 6.9307 8.0083 8.0160 8.1548 8.1613 8.4017 8.4022 16.3275 16.3322 16.8376 16.8389 17.0706 17.0759 17.5416 17.5452 18.8216 18.8235 k = 0.2075 0.3595-0.0000 ( 2154 PWs) bands (ev): -16.4141 -16.4141 -14.5072 -14.5070 -13.4600 -13.4598 -11.6578 -11.6578 -11.5630 -11.5627 -11.2940 -11.2938 -5.7684 -5.7683 -4.4014 -4.4009 -2.6376 -2.6364 -1.8591 -1.8563 -1.3247 -1.3206 -0.7262 -0.7249 2.7068 2.7149 2.7328 2.7370 3.9817 3.9847 4.1468 4.1536 4.1594 4.1606 5.5498 5.5511 6.0717 6.0776 6.8424 6.8450 6.9271 6.9413 7.9926 8.0005 8.1538 8.1602 8.3938 8.3941 16.3194 16.3243 16.8341 16.8351 17.0574 17.0629 17.5229 17.5270 18.8462 18.8484 k = 0.2013 0.3486-0.0000 ( 2158 PWs) bands (ev): -16.4573 -16.4572 -14.4516 -14.4514 -13.4484 -13.4482 -11.6636 -11.6636 -11.5675 -11.5671 -11.2873 -11.2871 -5.7543 -5.7542 -4.4409 -4.4405 -2.5944 -2.5932 -1.8759 -1.8731 -1.3378 -1.3337 -0.7757 -0.7744 2.6832 2.6913 2.7398 2.7440 4.0317 4.0353 4.1461 4.1462 4.1502 4.1560 5.5841 5.5855 6.0778 6.0839 6.8177 6.8207 6.9390 6.9536 7.9777 7.9857 8.1533 8.1594 8.3855 8.3857 16.3126 16.3176 16.8275 16.8281 17.0451 17.0508 17.5058 17.5104 18.8711 18.8743 k = 0.1950 0.3377-0.0000 ( 2154 PWs) bands (ev): -16.4995 -16.4995 -14.3961 -14.3959 -13.4372 -13.4370 -11.6690 -11.6690 -11.5713 -11.5709 -11.2810 -11.2808 -5.7401 -5.7400 -4.4808 -4.4803 -2.5516 -2.5504 -1.8918 -1.8890 -1.3518 -1.3477 -0.8253 -0.8241 2.6613 2.6694 2.7465 2.7506 4.0754 4.0805 4.1381 4.1381 4.1490 4.1561 5.6211 5.6225 6.0814 6.0876 6.7919 6.7954 6.9528 6.9677 7.9637 7.9718 8.1530 8.1589 8.3768 8.3769 16.3072 16.3123 16.8179 16.8182 17.0337 17.0395 17.4902 17.4953 18.8984 18.9193 k = 0.1887 0.3268-0.0000 ( 2154 PWs) bands (ev): -16.5409 -16.5409 -14.3408 -14.3406 -13.4265 -13.4263 -11.6740 -11.6739 -11.5745 -11.5741 -11.2750 -11.2749 -5.7258 -5.7258 -4.5210 -4.5205 -2.5090 -2.5079 -1.9067 -1.9040 -1.3665 -1.3624 -0.8749 -0.8737 2.6413 2.6494 2.7528 2.7568 4.0977 4.1041 4.1441 4.1469 4.1513 4.1567 5.6608 5.6622 6.0824 6.0888 6.7654 6.7694 6.9682 6.9832 7.9509 7.9591 8.1530 8.1587 8.3678 8.3678 16.3032 16.3084 16.8053 16.8054 17.0232 17.0292 17.4758 17.4814 18.9171 18.9173 k = 0.1824 0.3159-0.0000 ( 2146 PWs) bands (ev): -16.5814 -16.5813 -14.2857 -14.2855 -13.4164 -13.4162 -11.6783 -11.6783 -11.5770 -11.5766 -11.2695 -11.2693 -5.7117 -5.7116 -4.5616 -4.5611 -2.4669 -2.4657 -1.9206 -1.9179 -1.3817 -1.3776 -0.9243 -0.9231 2.6232 2.6313 2.7587 2.7626 4.0936 4.0989 4.1444 4.1515 4.1833 4.1837 5.7032 5.7044 6.0808 6.0872 6.7386 6.7429 6.9851 7.0002 7.9394 7.9477 8.1533 8.1587 8.3584 8.3584 16.3005 16.3058 16.7900 16.7904 17.0137 17.0198 17.4627 17.4687 18.9069 18.9078 k = 0.1761 0.3050-0.0000 ( 2150 PWs) bands (ev): -16.6208 -16.6208 -14.2310 -14.2308 -13.4068 -13.4066 -11.6821 -11.6821 -11.5789 -11.5785 -11.2644 -11.2643 -5.6977 -5.6976 -4.6026 -4.6021 -2.4251 -2.4239 -1.9336 -1.9310 -1.3975 -1.3934 -0.9731 -0.9719 2.6071 2.6152 2.7641 2.7679 4.0833 4.0881 4.1409 4.1482 4.2194 4.2207 5.7478 5.7489 6.0765 6.0828 6.7119 6.7166 7.0034 7.0185 7.9293 7.9376 8.1536 8.1588 8.3487 8.3488 16.2991 16.3045 16.7724 16.7731 17.0051 17.0113 17.4504 17.4569 18.8912 18.8924 k = 0.1698 0.2941-0.0000 ( 2154 PWs) bands (ev): -16.6593 -16.6592 -14.1768 -14.1766 -13.3978 -13.3976 -11.6852 -11.6852 -11.5800 -11.5796 -11.2598 -11.2597 -5.6838 -5.6837 -4.6439 -4.6435 -2.3837 -2.3825 -1.9457 -1.9431 -1.4135 -1.4095 -1.0211 -1.0200 2.5930 2.6011 2.7691 2.7727 4.0721 4.0768 4.1360 4.1434 4.2530 4.2549 5.7941 5.7951 6.0696 6.0758 6.6860 6.6910 7.0229 7.0379 7.9208 7.9291 8.1540 8.1589 8.3388 8.3389 16.2990 16.3044 16.7529 16.7539 16.9976 17.0039 17.4389 17.4457 18.8706 18.8719 k = 0.1635 0.2832-0.0000 ( 2154 PWs) bands (ev): -16.6966 -16.6965 -14.1232 -14.1230 -13.3894 -13.3892 -11.6876 -11.6876 -11.5805 -11.5801 -11.2557 -11.2556 -5.6701 -5.6700 -4.6856 -4.6852 -2.3428 -2.3416 -1.9568 -1.9542 -1.4299 -1.4259 -1.0683 -1.0672 2.5809 2.5890 2.7736 2.7769 4.0610 4.0657 4.1297 4.1371 4.2832 4.2854 5.8414 5.8422 6.0603 6.0663 6.6619 6.6671 7.0434 7.0581 7.9139 7.9222 8.1544 8.1591 8.3287 8.3289 16.3000 16.3055 16.7318 16.7330 16.9913 16.9976 17.4280 17.4352 18.8455 18.8469 k = 0.1572 0.2723-0.0000 ( 2158 PWs) bands (ev): -16.7328 -16.7328 -14.0703 -14.0701 -13.3816 -13.3814 -11.6892 -11.6892 -11.5803 -11.5800 -11.2522 -11.2520 -5.6567 -5.6566 -4.7277 -4.7273 -2.3023 -2.3012 -1.9670 -1.9645 -1.4464 -1.4425 -1.1143 -1.1132 2.5709 2.5790 2.7775 2.7806 4.0505 4.0551 4.1221 4.1294 4.3095 4.3121 5.8882 5.8887 6.0485 6.0543 6.6407 6.6460 7.0646 7.0790 7.9087 7.9169 8.1547 8.1593 8.3184 8.3187 16.3020 16.3074 16.7094 16.7109 16.9862 16.9925 17.4176 17.4250 18.8164 18.8178 k = 0.1509 0.2614-0.0000 ( 2158 PWs) bands (ev): -16.7679 -16.7678 -14.0184 -14.0182 -13.3745 -13.3743 -11.6900 -11.6900 -11.5795 -11.5791 -11.2492 -11.2490 -5.6435 -5.6435 -4.7700 -4.7696 -2.2624 -2.2613 -1.9764 -1.9740 -1.4630 -1.4592 -1.1590 -1.1580 2.5629 2.5710 2.7807 2.7836 4.0405 4.0452 4.1130 4.1204 4.3321 4.3350 5.9329 5.9330 6.0347 6.0402 6.6239 6.6292 7.0863 7.1003 7.9053 7.9133 8.1550 8.1593 8.3081 8.3084 16.3048 16.3102 16.6861 16.6878 16.9826 16.9888 17.4076 17.4152 18.7837 18.7851 k = 0.1447 0.2505-0.0000 ( 2152 PWs) bands (ev): -16.8017 -16.8017 -13.9674 -13.9672 -13.3680 -13.3678 -11.6900 -11.6899 -11.5780 -11.5777 -11.2467 -11.2466 -5.6307 -5.6307 -4.8124 -4.8121 -2.2231 -2.2220 -1.9850 -1.9826 -1.4796 -1.4758 -1.2023 -1.2013 2.5570 2.5650 2.7833 2.7860 4.0313 4.0360 4.1027 4.1099 4.3514 4.3545 5.9726 5.9732 6.0191 6.0242 6.6135 6.6187 7.1083 7.1218 7.9035 7.9114 8.1552 8.1593 8.2978 8.2981 16.3082 16.3135 16.6621 16.6639 16.9805 16.9866 17.3979 17.4056 18.7479 18.7493 k = 0.1384 0.2397-0.0000 ( 2148 PWs) bands (ev): -16.8343 -16.8343 -13.9176 -13.9174 -13.3621 -13.3619 -11.6890 -11.6889 -11.5760 -11.5756 -11.2449 -11.2448 -5.6182 -5.6182 -4.8550 -4.8546 -2.1844 -2.1833 -1.9928 -1.9905 -1.4960 -1.4924 -1.2439 -1.2430 2.5530 2.5610 2.7852 2.7876 4.0228 4.0275 4.0910 4.0982 4.3676 4.3710 5.9980 6.0032 6.0090 6.0098 6.6117 6.6165 7.1303 7.1433 7.9035 7.9111 8.1552 8.1591 8.2875 8.2879 16.3120 16.3172 16.6376 16.6396 16.9800 16.9860 17.3885 17.3962 18.7095 18.7109 k = 0.1321 0.2288-0.0000 ( 2149 PWs) bands (ev): -16.8657 -16.8657 -13.8691 -13.8689 -13.3568 -13.3566 -11.6870 -11.6870 -11.5734 -11.5731 -11.2437 -11.2436 -5.6062 -5.6061 -4.8975 -4.8972 -2.1464 -2.1453 -2.0000 -1.9978 -1.5123 -1.5088 -1.2839 -1.2830 2.5511 2.5590 2.7863 2.7885 4.0150 4.0197 4.0779 4.0851 4.3812 4.3849 5.9814 5.9865 6.0300 6.0314 6.6203 6.6246 7.1522 7.1646 7.9050 7.9123 8.1550 8.1587 8.2773 8.2776 16.3158 16.3208 16.6129 16.6150 16.9815 16.9873 17.3793 17.3870 18.6689 18.6703 k = 0.1258 0.2179-0.0000 ( 2149 PWs) bands (ev): -16.8958 -16.8957 -13.8220 -13.8218 -13.3521 -13.3519 -11.6841 -11.6840 -11.5704 -11.5700 -11.2432 -11.2430 -5.5945 -5.5945 -4.9399 -4.9396 -2.1092 -2.1082 -2.0065 -2.0043 -1.5283 -1.5249 -1.3220 -1.3212 2.5510 2.5588 2.7866 2.7886 4.0078 4.0125 4.0637 4.0707 4.3927 4.3966 5.9614 5.9661 6.0425 6.0448 6.6405 6.6441 7.1736 7.1854 7.9081 7.9150 8.1546 8.1582 8.2672 8.2675 16.3195 16.3244 16.5881 16.5903 16.9849 16.9905 17.3704 17.3780 18.6267 18.6279 k = 0.1195 0.2070-0.0000 ( 2147 PWs) bands (ev): -16.9246 -16.9245 -13.7765 -13.7763 -13.3479 -13.3477 -11.6801 -11.6801 -11.5669 -11.5666 -11.2433 -11.2432 -5.5833 -5.5833 -4.9820 -4.9816 -2.0729 -2.0719 -2.0124 -2.0103 -1.5440 -1.5407 -1.3582 -1.3575 2.5528 2.5605 2.7862 2.7880 4.0013 4.0059 4.0482 4.0551 4.4025 4.4067 5.9404 5.9448 6.0442 6.0474 6.6718 6.6748 7.1945 7.2057 7.9126 7.9191 8.1541 8.1575 8.2573 8.2576 16.3229 16.3274 16.5636 16.5658 16.9904 16.9957 17.3616 17.3691 18.5830 18.5842 k = 0.1132 0.1961-0.0000 ( 2145 PWs) bands (ev): -16.9520 -16.9519 -13.7326 -13.7324 -13.3443 -13.3441 -11.6751 -11.6751 -11.5630 -11.5627 -11.2442 -11.2440 -5.5726 -5.5726 -5.0236 -5.0233 -2.0376 -2.0366 -2.0178 -2.0157 -1.5593 -1.5562 -1.3924 -1.3917 2.5563 2.5640 2.7850 2.7865 3.9952 3.9996 4.0316 4.0384 4.4112 4.4156 5.9187 5.9228 6.0364 6.0404 6.7126 6.7150 7.2147 7.2252 7.9184 7.9244 8.1534 8.1566 8.2476 8.2479 16.3256 16.3299 16.5394 16.5417 16.9981 17.0031 17.3531 17.3605 18.5384 18.5396 k = 0.1069 0.1852-0.0000 ( 2149 PWs) bands (ev): -16.9781 -16.9780 -13.6906 -13.6904 -13.3412 -13.3410 -11.6691 -11.6691 -11.5589 -11.5586 -11.2457 -11.2455 -5.5624 -5.5623 -5.0645 -5.0642 -2.0228 -2.0210 -2.0031 -2.0023 -1.5741 -1.5711 -1.4246 -1.4240 2.5616 2.5690 2.7831 2.7844 3.9895 3.9936 4.0141 4.0206 4.4191 4.4237 5.8966 5.9004 6.0210 6.0256 6.7605 6.7624 7.2340 7.2438 7.9253 7.9309 8.1526 8.1557 8.2382 8.2384 16.3276 16.3316 16.5158 16.5180 17.0079 17.0127 17.3448 17.3520 18.4931 18.4942 k = 0.1006 0.1743-0.0000 ( 2157 PWs) bands (ev): -17.0027 -17.0027 -13.6505 -13.6503 -13.3386 -13.3384 -11.6620 -11.6620 -11.5545 -11.5542 -11.2479 -11.2478 -5.5526 -5.5526 -5.1047 -5.1044 -2.0273 -2.0256 -1.9700 -1.9692 -1.5884 -1.5855 -1.4547 -1.4541 2.5684 2.5757 2.7804 2.7816 3.9839 3.9872 3.9963 4.0020 4.4267 4.4315 5.8745 5.8780 5.9999 6.0050 6.8131 6.8146 7.2523 7.2614 7.9332 7.9383 8.1517 8.1546 8.2292 8.2292 16.3287 16.3324 16.4927 16.4949 17.0199 17.0243 17.3368 17.3437 18.4476 18.4486 k = 0.0943 0.1634-0.0000 ( 2151 PWs) bands (ev): -17.0260 -17.0260 -13.6124 -13.6122 -13.3363 -13.3362 -11.6539 -11.6539 -11.5499 -11.5496 -11.2509 -11.2508 -5.5434 -5.5434 -5.1438 -5.1435 -2.0315 -2.0299 -1.9381 -1.9374 -1.6020 -1.5993 -1.4826 -1.4821 2.5766 2.5838 2.7772 2.7782 3.9741 3.9773 3.9837 3.9845 4.4343 4.4392 5.8525 5.8558 5.9750 5.9804 6.8684 6.8695 7.2696 7.2780 7.9419 7.9465 8.1508 8.1535 8.2205 8.2205 16.3290 16.3324 16.4705 16.4727 17.0340 17.0380 17.3291 17.3358 18.4021 18.4031 k = 0.0881 0.1525-0.0000 ( 2155 PWs) bands (ev): -17.0479 -17.0479 -13.5765 -13.5763 -13.3345 -13.3343 -11.6449 -11.6449 -11.5452 -11.5450 -11.2546 -11.2545 -5.5348 -5.5348 -5.1817 -5.1814 -2.0354 -2.0339 -1.9077 -1.9070 -1.6150 -1.6125 -1.5084 -1.5079 2.5861 2.5931 2.7734 2.7743 3.9546 3.9608 3.9748 3.9784 4.4421 4.4472 5.8310 5.8340 5.9475 5.9531 6.9246 6.9255 7.2858 7.2934 7.9512 7.9552 8.1499 8.1524 8.2121 8.2122 16.3283 16.3314 16.4492 16.4513 17.0500 17.0536 17.3218 17.3281 18.3570 18.3580 k = 0.0818 0.1416-0.0000 ( 2159 PWs) bands (ev): -17.0683 -17.0683 -13.5428 -13.5426 -13.3329 -13.3328 -11.6350 -11.6349 -11.5405 -11.5403 -11.2591 -11.2589 -5.5267 -5.5267 -5.2181 -5.2179 -2.0391 -2.0376 -1.8787 -1.8781 -1.6272 -1.6249 -1.5321 -1.5316 2.5968 2.6035 2.7692 2.7699 3.9341 3.9402 3.9694 3.9730 4.4504 4.4555 5.8101 5.8129 5.9186 5.9243 6.9806 6.9813 7.3008 7.3077 7.9609 7.9644 8.1490 8.1513 8.2041 8.2043 16.3268 16.3295 16.4289 16.4309 17.0675 17.0708 17.3147 17.3207 18.3126 18.3135 k = 0.0755 0.1307-0.0000 ( 2159 PWs) bands (ev): -17.0873 -17.0873 -13.5114 -13.5112 -13.3317 -13.3316 -11.6242 -11.6242 -11.5359 -11.5356 -11.2643 -11.2641 -5.5192 -5.5191 -5.2529 -5.2527 -2.0425 -2.0412 -1.8513 -1.8508 -1.6387 -1.6366 -1.5536 -1.5532 2.6084 2.6148 2.7646 2.7652 3.9131 3.9191 3.9642 3.9676 4.4592 4.4644 5.7901 5.7926 5.8889 5.8947 7.0351 7.0357 7.3146 7.3209 7.9709 7.9738 8.1482 8.1503 8.1966 8.1970 16.3245 16.3270 16.4097 16.4116 17.0864 17.0893 17.3081 17.3137 18.2692 18.2700 k = 0.0692 0.1198-0.0000 ( 2159 PWs) bands (ev): -17.1048 -17.1048 -13.4823 -13.4822 -13.3308 -13.3306 -11.6127 -11.6127 -11.5313 -11.5311 -11.2701 -11.2699 -5.5122 -5.5122 -5.2859 -5.2856 -2.0457 -2.0445 -1.8258 -1.8253 -1.6492 -1.6473 -1.5731 -1.5728 2.6207 2.6269 2.7598 2.7603 3.8921 3.8978 3.9591 3.9622 4.4686 4.4737 5.7711 5.7734 5.8593 5.8650 7.0875 7.0879 7.3273 7.3328 7.9809 7.9833 8.1476 8.1495 8.1895 8.1901 16.3217 16.3238 16.3918 16.3936 17.1063 17.1089 17.3019 17.3071 18.2272 18.2279 k = 0.0629 0.1089-0.0000 ( 2159 PWs) bands (ev): -17.1208 -17.1208 -13.4557 -13.4556 -13.3300 -13.3299 -11.6006 -11.6005 -11.5269 -11.5267 -11.2766 -11.2764 -5.5058 -5.5058 -5.3167 -5.3166 -2.0487 -2.0477 -1.8021 -1.8018 -1.6588 -1.6571 -1.5905 -1.5903 2.6335 2.6394 2.7549 2.7553 3.8712 3.8766 3.9540 3.9568 4.4785 4.4835 5.7534 5.7554 5.8303 5.8358 7.1369 7.1372 7.3387 7.3436 7.9908 7.9927 8.1471 8.1488 8.1830 8.1837 16.3184 16.3203 16.3752 16.3769 17.1268 17.1290 17.2962 17.3009 18.1867 18.1874 k = 0.0566 0.0980-0.0000 ( 2155 PWs) bands (ev): -17.1353 -17.1353 -13.4316 -13.4315 -13.3294 -13.3293 -11.5880 -11.5880 -11.5227 -11.5225 -11.2837 -11.2835 -5.5001 -5.5000 -5.3454 -5.3452 -2.0516 -2.0506 -1.7807 -1.7805 -1.6672 -1.6658 -1.6060 -1.6058 2.6466 2.6520 2.7500 2.7503 3.8508 3.8558 3.9491 3.9516 4.4887 4.4935 5.7369 5.7387 5.8023 5.8076 7.1828 7.1831 7.3490 7.3533 8.0004 8.0019 8.1468 8.1483 8.1770 8.1779 16.3148 16.3164 16.3600 16.3615 17.1476 17.1495 17.2909 17.2952 18.1482 18.1489 k = 0.0503 0.0871-0.0000 ( 2155 PWs) bands (ev): -17.1484 -17.1483 -13.4099 -13.4098 -13.3291 -13.3290 -11.5752 -11.5751 -11.5188 -11.5186 -11.2913 -11.2911 -5.4949 -5.4948 -5.3716 -5.3714 -2.0542 -2.0533 -1.7616 -1.7616 -1.6743 -1.6732 -1.6196 -1.6194 2.6595 2.6646 2.7452 2.7455 3.8311 3.8358 3.9443 3.9466 4.4990 4.5036 5.7220 5.7235 5.7759 5.7809 7.2248 7.2249 7.3582 7.3619 8.0095 8.0106 8.1467 8.1479 8.1716 8.1725 16.3110 16.3124 16.3462 16.3476 17.1682 17.1698 17.2861 17.2900 18.1121 18.1127 k = 0.0440 0.0763-0.0000 ( 2155 PWs) bands (ev): -17.1599 -17.1599 -13.3908 -13.3907 -13.3288 -13.3287 -11.5623 -11.5622 -11.5152 -11.5150 -11.2992 -11.2991 -5.4903 -5.4903 -5.3951 -5.3950 -2.0566 -2.0559 -1.7457 -1.7455 -1.6797 -1.6789 -1.6313 -1.6311 2.6722 2.6767 2.7407 2.7409 3.8127 3.8169 3.9398 3.9418 4.5093 4.5135 5.7086 5.7099 5.7514 5.7560 7.2624 7.2624 7.3664 7.3694 8.0180 8.0187 8.1467 8.1478 8.1667 8.1678 16.3072 16.3084 16.3339 16.3352 17.1881 17.1895 17.2818 17.2853 18.0787 18.0792 k = 0.0377 0.0654-0.0000 ( 2153 PWs) bands (ev): -17.1699 -17.1699 -13.3743 -13.3742 -13.3286 -13.3285 -11.5496 -11.5496 -11.5120 -11.5119 -11.3074 -11.3072 -5.4863 -5.4863 -5.4159 -5.4158 -2.0588 -2.0582 -1.7333 -1.7328 -1.6827 -1.6823 -1.6412 -1.6411 2.6841 2.6881 2.7365 2.7367 3.7957 3.7994 3.9357 3.9373 4.5191 4.5230 5.6968 5.6979 5.7292 5.7334 7.2951 7.2952 7.3736 7.3760 8.0258 8.0261 8.1469 8.1477 8.1625 8.1637 16.3036 16.3045 16.3233 16.3243 17.2069 17.2080 17.2782 17.2811 18.0484 18.0489 k = 0.0314 0.0545-0.0000 ( 2153 PWs) bands (ev): -17.1783 -17.1783 -13.3602 -13.3602 -13.3285 -13.3284 -11.5375 -11.5375 -11.5092 -11.5091 -11.3155 -11.3154 -5.4829 -5.4829 -5.4338 -5.4337 -2.0607 -2.0602 -1.7253 -1.7246 -1.6827 -1.6826 -1.6495 -1.6494 2.6950 2.6984 2.7328 2.7329 3.7806 3.7838 3.9320 3.9334 4.5282 4.5316 5.6868 5.6877 5.7098 5.7135 7.3227 7.3230 7.3800 7.3818 8.0326 8.0327 8.1472 8.1477 8.1589 8.1601 16.3002 16.3009 16.3143 16.3152 17.2241 17.2249 17.2750 17.2775 18.0216 18.0220 k = 0.0252 0.0436-0.0000 ( 2147 PWs) bands (ev): -17.1853 -17.1853 -13.3488 -13.3487 -13.3284 -13.3284 -11.5264 -11.5263 -11.5069 -11.5068 -11.3232 -11.3231 -5.4802 -5.4801 -5.4486 -5.4485 -2.0623 -2.0619 -1.7217 -1.7208 -1.6799 -1.6797 -1.6562 -1.6561 2.7045 2.7073 2.7297 2.7298 3.7677 3.7703 3.9289 3.9300 4.5363 4.5391 5.6785 5.6792 5.6934 5.6965 7.3450 7.3454 7.3858 7.3870 8.0384 8.0384 8.1474 8.1477 8.1561 8.1573 16.2972 16.2977 16.3071 16.3077 17.2391 17.2398 17.2725 17.2745 17.9989 17.9992 k = 0.0189 0.0327-0.0000 ( 2145 PWs) bands (ev): -17.1907 -17.1907 -13.3398 -13.3398 -13.3284 -13.3283 -11.5167 -11.5167 -11.5050 -11.5050 -11.3301 -11.3300 -5.4780 -5.4780 -5.4602 -5.4601 -2.0635 -2.0632 -1.7207 -1.7200 -1.6756 -1.6754 -1.6613 -1.6612 2.7124 2.7145 2.7271 2.7272 3.7573 3.7594 3.9264 3.9272 4.5431 4.5452 5.6721 5.6725 5.6804 5.6829 7.3614 7.3619 7.3913 7.3919 8.0429 8.0430 8.1474 8.1475 8.1541 8.1552 16.2945 16.2948 16.3017 16.3021 17.2515 17.2520 17.2706 17.2721 17.9806 17.9808 k = 0.0126 0.0218-0.0000 ( 2137 PWs) bands (ev): -17.1945 -17.1945 -13.3335 -13.3334 -13.3284 -13.3283 -11.5092 -11.5092 -11.5037 -11.5036 -11.3357 -11.3356 -5.4765 -5.4765 -5.4685 -5.4685 -2.0644 -2.0642 -1.7209 -1.7204 -1.6717 -1.6715 -1.6648 -1.6647 2.7184 2.7198 2.7253 2.7254 3.7498 3.7512 3.9246 3.9251 4.5482 4.5497 5.6675 5.6676 5.6711 5.6729 7.3719 7.3725 7.3965 7.3967 8.0463 8.0464 8.1472 8.1472 8.1530 8.1538 16.2922 16.2923 16.2983 16.2985 17.2607 17.2610 17.2693 17.2703 17.9672 17.9673 k = 0.0063 0.0109-0.0000 ( 2135 PWs) bands (ev): -17.1968 -17.1968 -13.3297 -13.3297 -13.3283 -13.3283 -11.5044 -11.5044 -11.5028 -11.5028 -11.3393 -11.3393 -5.4756 -5.4755 -5.4735 -5.4735 -2.0650 -2.0649 -1.7212 -1.7210 -1.6692 -1.6692 -1.6666 -1.6666 2.7222 2.7227 2.7242 2.7244 3.7454 3.7461 3.9235 3.9238 4.5515 4.5523 5.6644 5.6645 5.6658 5.6669 7.3774 7.3778 7.4005 7.4006 8.0484 8.0485 8.1469 8.1469 8.1526 8.1530 16.2906 16.2906 16.2964 16.2964 17.2664 17.2665 17.2688 17.2692 17.9590 17.9591 k = 0.0000 0.0000 0.0000 ( 2135 PWs) bands (ev): -17.1976 -17.1976 -13.3286 -13.3286 -13.3281 -13.3281 -11.5030 -11.5030 -11.5022 -11.5022 -11.3406 -11.3406 -5.4754 -5.4754 -5.4751 -5.4751 -2.0651 -2.0651 -1.7213 -1.7213 -1.6688 -1.6688 -1.6668 -1.6668 2.7233 2.7233 2.7242 2.7242 3.7441 3.7441 3.9233 3.9233 4.5529 4.5529 5.6631 5.6631 5.6647 5.6647 7.3792 7.3792 7.4021 7.4021 8.0491 8.0491 8.1468 8.1468 8.1526 8.1526 16.2900 16.2900 16.2958 16.2958 17.2679 17.2679 17.2691 17.2691 17.9562 17.9562 k = 0.0000 0.0000 0.0000 ( 2135 PWs) bands (ev): -17.1976 -17.1976 -13.3286 -13.3286 -13.3281 -13.3281 -11.5030 -11.5030 -11.5022 -11.5022 -11.3406 -11.3406 -5.4754 -5.4754 -5.4751 -5.4751 -2.0651 -2.0651 -1.7213 -1.7213 -1.6688 -1.6688 -1.6668 -1.6668 2.7233 2.7233 2.7242 2.7242 3.7441 3.7441 3.9233 3.9233 4.5529 4.5529 5.6631 5.6631 5.6647 5.6647 7.3792 7.3792 7.4021 7.4021 8.0491 8.0491 8.1468 8.1468 8.1526 8.1526 16.2900 16.2900 16.2958 16.2958 17.2679 17.2679 17.2691 17.2691 17.9562 17.9562 k = 0.0000 0.0000 0.0125 ( 2135 PWs) bands (ev): -17.1968 -17.1968 -13.4056 -13.4051 -13.2520 -13.2514 -11.5111 -11.5104 -11.4943 -11.4936 -11.3407 -11.3407 -5.5577 -5.5574 -5.3934 -5.3931 -2.0670 -2.0668 -1.7212 -1.7212 -1.6849 -1.6828 -1.6525 -1.6506 2.6890 2.6898 2.7607 2.7616 3.7408 3.7431 3.9264 3.9293 4.5546 4.5548 5.6506 5.6524 5.6734 5.6749 7.3655 7.3886 7.3922 7.4148 8.0464 8.0464 8.1336 8.1392 8.1594 8.1655 16.2409 16.2466 16.3362 16.3420 17.2379 17.2390 17.3004 17.3016 17.9563 17.9566 k = 0.0000 0.0000 0.0250 ( 2141 PWs) bands (ev): -17.1943 -17.1943 -13.4829 -13.4823 -13.1758 -13.1752 -11.5188 -11.5181 -11.4853 -11.4845 -11.3410 -11.3410 -5.6404 -5.6400 -5.3120 -5.3116 -2.0723 -2.0720 -1.7210 -1.7209 -1.7010 -1.6988 -1.6361 -1.6343 2.6579 2.6587 2.8008 2.8018 3.7342 3.7383 3.9382 3.9434 4.5598 4.5603 5.6361 5.6381 5.6814 5.6827 7.3511 7.3744 7.4044 7.4268 8.0382 8.0383 8.1199 8.1253 8.1713 8.1776 16.1898 16.1954 16.3778 16.3835 17.2116 17.2125 17.3345 17.3357 17.9566 17.9573 k = 0.0000 0.0000 0.0376 ( 2141 PWs) bands (ev): -17.1902 -17.1902 -13.5604 -13.5599 -13.1000 -13.0994 -11.5260 -11.5253 -11.4758 -11.4751 -11.3416 -11.3415 -5.7232 -5.7229 -5.2310 -5.2307 -2.0809 -2.0805 -1.7208 -1.7207 -1.7170 -1.7147 -1.6194 -1.6177 2.6304 2.6310 2.8435 2.8445 3.7259 3.7311 3.9572 3.9642 4.5686 4.5693 5.6198 5.6220 5.6868 5.6880 7.3362 7.3597 7.4158 7.4380 8.0247 8.0248 8.1059 8.1110 8.1824 8.1889 16.1377 16.1434 16.4134 16.4190 17.1904 17.1911 17.3696 17.3707 17.9572 17.9582 k = 0.0000 0.0000 0.0501 ( 2141 PWs) bands (ev): -17.1845 -17.1845 -13.6381 -13.6376 -13.0247 -13.0241 -11.5327 -11.5319 -11.4659 -11.4652 -11.3424 -11.3423 -5.8062 -5.8058 -5.1507 -5.1504 -2.0926 -2.0920 -1.7330 -1.7306 -1.7208 -1.7207 -1.6025 -1.6009 2.6066 2.6071 2.8885 2.8895 3.7171 3.7230 3.9818 3.9901 4.5810 4.5819 5.6019 5.6043 5.6896 5.6907 7.3206 7.3443 7.4263 7.4483 8.0059 8.0060 8.0916 8.0964 8.1925 8.1992 16.0856 16.0911 16.4410 16.4463 17.1761 17.1765 17.4050 17.4062 17.9578 17.9591 k = 0.0000 0.0000 0.0626 ( 2141 PWs) bands (ev): -17.1771 -17.1771 -13.7159 -13.7154 -12.9500 -12.9494 -11.5389 -11.5381 -11.4556 -11.4550 -11.3433 -11.3432 -5.8891 -5.8888 -5.0711 -5.0708 -2.1070 -2.1063 -1.7491 -1.7466 -1.7213 -1.7212 -1.5853 -1.5838 2.5866 2.5871 2.9354 2.9365 3.7091 3.7153 4.0108 4.0201 4.5968 4.5979 5.5826 5.5853 5.6897 5.6908 7.3045 7.3284 7.4359 7.4578 7.9820 7.9821 8.0770 8.0816 8.2015 8.2084 16.0338 16.0393 16.4587 16.4638 17.1704 17.1704 17.4406 17.4418 17.9580 17.9596 k = 0.0000 0.0000 0.0751 ( 2129 PWs) bands (ev): -17.1681 -17.1680 -13.7939 -13.7933 -12.8758 -12.8753 -11.5445 -11.5437 -11.4450 -11.4444 -11.3446 -11.3444 -5.9720 -5.9716 -4.9922 -4.9919 -2.1238 -2.1230 -1.7654 -1.7628 -1.7225 -1.7224 -1.5679 -1.5665 2.5708 2.5711 2.9842 2.9853 3.7024 3.7086 4.0434 4.0533 4.6161 4.6175 5.5622 5.5652 5.6871 5.6882 7.2878 7.3120 7.4445 7.4662 7.9531 7.9531 8.0623 8.0667 8.2092 8.2162 15.9832 15.9885 16.4654 16.4700 17.1739 17.1744 17.4762 17.4773 17.9575 17.9595 k = 0.0000 0.0000 0.0877 ( 2129 PWs) bands (ev): -17.1574 -17.1574 -13.8718 -13.8713 -12.8024 -12.8018 -11.5496 -11.5488 -11.4341 -11.4335 -11.3460 -11.3458 -6.0546 -6.0542 -4.9142 -4.9139 -2.1427 -2.1418 -1.7818 -1.7791 -1.7248 -1.7247 -1.5501 -1.5488 2.5592 2.5594 3.0344 3.0354 3.6974 3.7036 4.0788 4.0893 4.6388 4.6404 5.5409 5.5442 5.6817 5.6827 7.2706 7.2950 7.4520 7.4736 7.9193 7.9193 8.0475 8.0516 8.2153 8.2225 15.9339 15.9392 16.4605 16.4647 17.1872 17.1883 17.5115 17.5126 17.9558 17.9582 k = 0.0000 0.0000 0.1002 ( 2129 PWs) bands (ev): -17.1451 -17.1451 -13.9498 -13.9492 -12.7297 -12.7291 -11.5542 -11.5534 -11.4230 -11.4223 -11.3476 -11.3474 -6.1369 -6.1366 -4.8370 -4.8367 -2.1632 -2.1623 -1.7984 -1.7956 -1.7283 -1.7282 -1.5320 -1.5308 2.5520 2.5521 3.0857 3.0868 3.6944 3.7004 4.1166 4.1276 4.6648 4.6667 5.5189 5.5226 5.6735 5.6744 7.2528 7.2774 7.4584 7.4800 7.8808 7.8808 8.0325 8.0365 8.2197 8.2271 15.8866 15.8918 16.4448 16.4485 17.2097 17.2113 17.5465 17.5475 17.9523 17.9551 k = 0.0000 0.0000 0.1127 ( 2147 PWs) bands (ev): -17.1312 -17.1312 -14.0277 -14.0272 -12.6578 -12.6572 -11.5582 -11.5574 -11.4116 -11.4110 -11.3495 -11.3493 -6.2189 -6.2185 -4.7608 -4.7605 -2.1853 -2.1843 -1.8153 -1.8124 -1.7333 -1.7331 -1.5137 -1.5125 2.5492 2.5493 3.1380 3.1390 3.6935 3.6993 4.1566 4.1680 4.6941 4.6963 5.4966 5.5006 5.6624 5.6634 7.2345 7.2592 7.4637 7.4852 7.8377 7.8379 8.0176 8.0214 8.2222 8.2297 15.8415 15.8466 16.4194 16.4227 17.2399 17.2420 17.5811 17.5821 17.9463 17.9496 k = 0.0000 0.0000 0.1252 ( 2147 PWs) bands (ev): -17.1157 -17.1156 -14.1055 -14.1050 -12.5867 -12.5861 -11.5617 -11.5609 -11.4000 -11.3994 -11.3516 -11.3514 -6.3002 -6.2999 -4.6855 -4.6852 -2.2084 -2.2074 -1.8325 -1.8295 -1.7398 -1.7396 -1.4950 -1.4940 2.5511 2.5512 3.1908 3.1918 3.6948 3.7003 4.1983 4.2101 4.7266 4.7290 5.4742 5.4786 5.6487 5.6497 7.2155 7.2405 7.4679 7.4894 7.7906 7.7909 8.0026 8.0063 8.2226 8.2302 15.7991 15.8041 16.3864 16.3893 17.2761 17.2786 17.6154 17.6164 17.9372 17.9410 k = 0.0000 0.0000 0.1378 ( 2159 PWs) bands (ev): -17.0985 -17.0985 -14.1831 -14.1826 -12.5166 -12.5160 -11.5646 -11.5638 -11.3883 -11.3877 -11.3539 -11.3536 -6.3809 -6.3806 -4.6112 -4.6109 -2.2325 -2.2315 -1.8500 -1.8469 -1.7480 -1.7477 -1.4761 -1.4752 2.5576 2.5578 3.2440 3.2448 3.6983 3.7035 4.2416 4.2538 4.7622 4.7650 5.4519 5.4567 5.6322 5.6332 7.1960 7.2210 7.4708 7.4923 7.7395 7.7399 7.9877 7.9912 8.2206 8.2284 15.7597 15.7646 16.3472 16.3499 17.3166 17.3195 17.6494 17.6503 17.9244 17.9286 k = 0.0000 0.0000 0.1503 ( 2159 PWs) bands (ev): -17.0798 -17.0797 -14.2605 -14.2600 -12.4474 -12.4468 -11.5670 -11.5662 -11.3764 -11.3758 -11.3564 -11.3561 -6.4609 -6.4605 -4.5379 -4.5377 -2.2573 -2.2563 -1.8678 -1.8646 -1.7580 -1.7575 -1.4570 -1.4561 2.5689 2.5691 3.2971 3.2978 3.7040 3.7089 4.2862 4.2988 4.8009 4.8040 5.4301 5.4353 5.6132 5.6142 7.1757 7.2009 7.4725 7.4942 7.6849 7.6856 7.9728 7.9762 8.2161 8.2240 15.7236 15.7284 16.3034 16.3058 17.3600 17.3632 17.6831 17.6839 17.9071 17.9118 k = 0.0000 0.0000 0.1628 ( 2177 PWs) bands (ev): -17.0594 -17.0593 -14.3377 -14.3372 -12.3793 -12.3787 -11.5689 -11.5681 -11.3645 -11.3640 -11.3592 -11.3589 -6.5399 -6.5395 -4.4657 -4.4655 -2.2826 -2.2817 -1.8859 -1.8827 -1.7698 -1.7692 -1.4377 -1.4369 2.5849 2.5853 3.3499 3.3505 3.7118 3.7164 4.3318 4.3447 4.8425 4.8459 5.4089 5.4145 5.5916 5.5927 7.1548 7.1800 7.4728 7.4948 7.6271 7.6282 7.9581 7.9613 8.2088 8.2168 15.6911 15.6958 16.2559 16.2581 17.4051 17.4085 17.7166 17.7174 17.8848 17.8898 k = 0.0000 0.0000 0.1753 ( 2177 PWs) bands (ev): -17.0374 -17.0373 -14.4145 -14.4141 -12.3123 -12.3117 -11.5703 -11.5695 -11.3621 -11.3618 -11.3526 -11.3520 -6.6179 -6.6175 -4.3946 -4.3943 -2.3083 -2.3074 -1.9043 -1.9010 -1.7833 -1.7826 -1.4182 -1.4176 2.6057 2.6062 3.4020 3.4025 3.7218 3.7261 4.3780 4.3913 4.8870 4.8908 5.3887 5.3947 5.5678 5.5689 7.1331 7.1584 7.4715 7.4944 7.5664 7.5687 7.9434 7.9465 8.1986 8.2067 15.6624 15.6670 16.2060 16.2080 17.4511 17.4547 17.7499 17.7507 17.8571 17.8625 k = 0.0000 0.0000 0.1879 ( 2177 PWs) bands (ev): -17.0139 -17.0138 -14.4910 -14.4906 -12.2465 -12.2460 -11.5711 -11.5703 -11.3653 -11.3650 -11.3407 -11.3402 -6.6947 -6.6943 -4.3245 -4.3243 -2.3342 -2.3333 -1.9230 -1.9197 -1.7986 -1.7977 -1.3987 -1.3981 2.6312 2.6319 3.4532 3.4536 3.7338 3.7377 4.4247 4.4383 4.9344 4.9385 5.3697 5.3761 5.5417 5.5428 7.1106 7.1360 7.4658 7.4929 7.5034 7.5099 7.9288 7.9319 8.1853 8.1934 15.6377 15.6422 16.1543 16.1562 17.4973 17.5010 17.7831 17.7839 17.8239 17.8293 k = 0.0000 0.0000 0.2004 ( 2165 PWs) bands (ev): -16.9887 -16.9886 -14.5671 -14.5667 -12.1820 -12.1814 -11.5715 -11.5707 -11.3687 -11.3683 -11.3289 -11.3284 -6.7701 -6.7698 -4.2555 -4.2553 -2.3602 -2.3594 -1.9419 -1.9385 -1.8156 -1.8145 -1.3791 -1.3786 2.6615 2.6622 3.5032 3.5034 3.7477 3.7514 4.4713 4.4853 4.9844 4.9890 5.3521 5.3590 5.5135 5.5147 7.0873 7.1127 7.4313 7.4385 7.4771 7.4903 7.9144 7.9174 8.1686 8.1768 15.6173 15.6216 16.1014 16.1033 17.5431 17.5469 17.7842 17.7904 17.8168 17.8171 k = 0.0000 0.0000 0.2129 ( 2159 PWs) bands (ev): -16.9620 -16.9619 -14.6428 -14.6423 -12.1188 -12.1183 -11.5713 -11.5705 -11.3723 -11.3719 -11.3172 -11.3167 -6.8441 -6.8438 -4.1876 -4.1874 -2.3862 -2.3854 -1.9611 -1.9576 -1.8341 -1.8328 -1.3596 -1.3591 2.6963 2.6972 3.5516 3.5516 3.7635 3.7668 4.5176 4.5319 5.0372 5.0421 5.3361 5.3434 5.4834 5.4846 7.0630 7.0885 7.3690 7.3721 7.4697 7.4868 7.9002 7.9031 8.1486 8.1567 15.6013 15.6055 16.0480 16.0497 17.5880 17.5919 17.7396 17.7458 17.8500 17.8504 k = 0.0000 0.0000 0.2254 ( 2159 PWs) bands (ev): -16.9337 -16.9336 -14.7180 -14.7175 -12.0571 -12.0566 -11.5707 -11.5699 -11.3761 -11.3757 -11.3058 -11.3053 -6.9166 -6.9162 -4.1208 -4.1206 -2.4122 -2.4115 -1.9803 -1.9768 -1.8541 -1.8527 -1.3402 -1.3398 2.7356 2.7366 3.5979 3.5981 3.7811 3.7841 4.5630 4.5776 5.0924 5.0977 5.3220 5.3298 5.4515 5.4528 7.0378 7.0633 7.3029 7.3049 7.4644 7.4823 7.8861 7.8890 8.1249 8.1330 15.5898 15.5938 15.9944 15.9960 17.6318 17.6355 17.6896 17.6959 17.8834 17.8837 k = 0.0000 0.0000 0.2380 ( 2159 PWs) bands (ev): -16.9039 -16.9038 -14.7926 -14.7922 -11.9970 -11.9964 -11.5696 -11.5687 -11.3802 -11.3797 -11.2946 -11.2941 -6.9872 -6.9869 -4.0551 -4.0549 -2.4380 -2.4374 -1.9997 -1.9961 -1.8755 -1.8739 -1.3210 -1.3206 2.7793 2.7804 3.6421 3.6425 3.8002 3.8029 4.6072 4.6219 5.1501 5.1557 5.3099 5.3181 5.4180 5.4194 7.0116 7.0371 7.2359 7.2376 7.4588 7.4769 7.8722 7.8751 8.0975 8.1057 15.5829 15.5868 15.9411 15.9427 17.6347 17.6401 17.6741 17.6786 17.9171 17.9173 k = 0.0000 0.0000 0.2505 ( 2153 PWs) bands (ev): -16.8726 -16.8724 -14.8667 -14.8663 -11.9384 -11.9379 -11.5680 -11.5672 -11.3844 -11.3839 -11.2837 -11.2833 -7.0559 -7.0556 -3.9904 -3.9902 -2.4638 -2.4632 -2.0190 -2.0154 -1.8981 -1.8962 -1.3020 -1.3018 2.8272 2.8285 3.6839 3.6845 3.8209 3.8232 4.6494 4.6644 5.2101 5.2160 5.3000 5.3087 5.3831 5.3846 6.9844 7.0099 7.1693 7.1707 7.4527 7.4707 7.8586 7.8615 8.0664 8.0746 15.5807 15.5845 15.8884 15.8900 17.5754 17.5811 17.7147 17.7189 17.9511 17.9512 k = 0.0000 0.0000 0.2630 ( 2153 PWs) bands (ev): -16.8397 -16.8395 -14.9402 -14.9398 -11.8817 -11.8811 -11.5660 -11.5652 -11.3888 -11.3883 -11.2732 -11.2728 -7.1225 -7.1222 -3.9269 -3.9266 -2.4894 -2.4889 -2.0382 -2.0345 -1.9216 -1.9196 -1.2834 -1.2832 2.8791 2.8805 3.7230 3.7239 3.8429 3.8449 4.6893 4.7042 5.2713 5.2781 5.2923 5.3025 5.3468 5.3489 6.9561 6.9816 7.1038 7.1051 7.4460 7.4639 7.8452 7.8481 8.0316 8.0397 15.5833 15.5870 15.8367 15.8382 17.5123 17.5178 17.7536 17.7576 17.9852 17.9852 k = 0.0000 0.0000 0.2755 ( 2153 PWs) bands (ev): -16.8053 -16.8051 -15.0131 -15.0127 -11.8268 -11.8262 -11.5636 -11.5628 -11.3934 -11.3929 -11.2631 -11.2627 -7.1869 -7.1865 -3.8644 -3.8641 -2.5149 -2.5145 -2.0572 -2.0535 -1.9459 -1.9437 -1.2653 -1.2651 2.9348 2.9363 3.7594 3.7605 3.8661 3.8678 4.7260 4.7409 5.2869 5.2946 5.3092 5.3095 5.3384 5.3449 6.9266 6.9522 7.0405 7.0418 7.4389 7.4565 7.8321 7.8350 7.9930 8.0010 15.5907 15.5942 15.7864 15.7878 17.4460 17.4513 17.7904 17.7944 18.0196 18.0197 k = 0.0000 0.0000 0.2881 ( 2153 PWs) bands (ev): -16.7693 -16.7692 -15.0852 -15.0848 -11.7738 -11.7733 -11.5608 -11.5600 -11.3983 -11.3977 -11.2535 -11.2531 -7.2487 -7.2484 -3.8029 -3.8027 -2.5404 -2.5402 -2.0759 -2.0721 -1.9708 -1.9684 -1.2476 -1.2475 2.9941 2.9957 3.7929 3.7941 3.8903 3.8917 4.7591 4.7738 5.2712 5.2722 5.2840 5.2924 5.4039 5.4098 6.8960 6.9218 6.9802 6.9816 7.4314 7.4486 7.8193 7.8222 7.9507 7.9586 15.6027 15.6061 15.7376 15.7389 17.3770 17.3820 17.8253 17.8291 18.0543 18.0546 k = 0.0000 0.0000 0.3006 ( 2154 PWs) bands (ev): -16.7319 -16.7318 -15.1567 -15.1563 -11.7230 -11.7225 -11.5576 -11.5568 -11.4032 -11.4027 -11.2445 -11.2441 -7.3080 -7.3077 -3.7425 -3.7423 -2.5660 -2.5658 -2.0941 -2.0903 -1.9961 -1.9935 -1.2306 -1.2305 3.0566 3.0584 3.8234 3.8248 3.9153 3.9164 4.7878 4.8021 5.2322 5.2334 5.2831 5.2918 5.4714 5.4772 6.8641 6.8903 6.9241 6.9258 7.4236 7.4404 7.8069 7.8098 7.9048 7.9126 15.6194 15.6227 15.6908 15.6919 17.3058 17.3105 17.8579 17.8616 18.0893 18.0898 k = 0.0000 0.0000 0.3131 ( 2166 PWs) bands (ev): -16.6930 -16.6929 -15.2273 -15.2270 -11.6744 -11.6740 -11.5541 -11.5533 -11.4084 -11.4079 -11.2361 -11.2358 -7.3644 -7.3642 -3.6832 -3.6829 -2.5918 -2.5917 -2.1118 -2.1080 -2.0214 -2.0186 -1.2143 -1.2142 3.1221 3.1241 3.8509 3.8524 3.9409 3.9416 4.8114 4.8251 5.1927 5.1940 5.2844 5.2932 5.5401 5.5457 6.8309 6.8577 6.8732 6.8754 7.4157 7.4319 7.7948 7.7979 7.8555 7.8630 15.6383 15.6440 15.6470 15.6485 17.2327 17.2372 17.8884 17.8919 18.1247 18.1254 k = 0.0000 0.0000 0.3256 ( 2166 PWs) bands (ev): -16.6527 -16.6525 -15.2972 -15.2968 -11.6282 -11.6278 -11.5502 -11.5494 -11.4137 -11.4132 -11.2284 -11.2281 -7.4178 -7.4176 -3.6249 -3.6246 -2.6179 -2.6178 -2.1289 -2.1250 -2.0464 -2.0435 -1.1988 -1.1987 3.1903 3.1925 3.8754 3.8770 3.9668 3.9672 4.8293 4.8424 5.1527 5.1541 5.2877 5.2963 5.6097 5.6148 6.7968 6.8240 6.8288 6.8314 7.4077 7.4232 7.7825 7.7864 7.8035 7.8100 15.6028 15.6044 15.6674 15.6697 17.1583 17.1625 17.9166 17.9200 18.1605 18.1613 k = 0.0000 0.0000 0.3381 ( 2160 PWs) bands (ev): -16.6109 -16.6107 -15.3662 -15.3659 -11.5845 -11.5841 -11.5460 -11.5452 -11.4192 -11.4186 -11.2214 -11.2212 -7.4679 -7.4677 -3.5677 -3.5674 -2.6445 -2.6444 -2.1451 -2.1412 -2.0710 -2.0678 -1.1841 -1.1841 3.2609 3.2632 3.8970 3.8986 3.9926 3.9927 4.8411 4.8534 5.1127 5.1141 5.2925 5.3010 5.6796 5.6842 6.7627 6.7892 6.7919 6.7940 7.3999 7.4146 7.7451 7.7538 7.7739 7.7755 15.5631 15.5644 15.6976 15.6999 17.0830 17.0868 17.9426 17.9458 18.1965 18.1975 k = 0.0000 0.0000 0.3507 ( 2160 PWs) bands (ev): -16.5677 -16.5675 -15.4344 -15.4340 -11.5436 -11.5431 -11.5414 -11.5407 -11.4248 -11.4242 -11.2153 -11.2151 -7.5146 -7.5144 -3.5116 -3.5112 -2.6718 -2.6716 -2.1604 -2.1565 -2.0947 -2.0914 -1.1704 -1.1704 3.3333 3.3358 3.9159 3.9175 4.0176 4.0179 4.8465 4.8577 5.0726 5.0742 5.2988 5.3069 5.7493 5.7531 6.7288 6.7534 6.7637 6.7642 7.3922 7.4061 7.6867 7.6947 7.7631 7.7652 15.5260 15.5272 15.7321 15.7343 17.0069 17.0104 17.9663 17.9692 18.2328 18.2340 k = 0.0000 0.0000 0.3632 ( 2160 PWs) bands (ev): -16.5230 -16.5228 -15.5016 -15.5013 -11.5368 -11.5360 -11.5052 -11.5049 -11.4306 -11.4299 -11.2100 -11.2099 -7.5577 -7.5575 -3.4565 -3.4561 -2.7000 -2.6996 -2.1747 -2.1707 -2.1174 -2.1138 -1.1577 -1.1577 3.4071 3.4098 3.9321 3.9337 4.0415 4.0422 4.8453 4.8554 5.0329 5.0345 5.3060 5.3138 5.8183 5.8211 6.6938 6.7166 6.7442 6.7451 7.3850 7.3979 7.6251 7.6328 7.7535 7.7555 15.4918 15.4929 15.7708 15.7727 16.9306 16.9338 17.9877 17.9904 18.2693 18.2707 k = 0.0000 0.0000 0.3757 ( 2160 PWs) bands (ev): -16.4770 -16.4768 -15.5679 -15.5676 -11.5318 -11.5310 -11.4700 -11.4696 -11.4364 -11.4358 -11.2057 -11.2056 -7.5969 -7.5967 -3.4025 -3.4021 -2.7292 -2.7287 -2.1878 -2.1837 -2.1386 -2.1349 -1.1462 -1.1462 3.4819 3.4849 3.9459 3.9474 4.0635 4.0647 4.8382 4.8470 4.9938 4.9955 5.3139 5.3211 5.8860 5.8875 6.6573 6.6788 6.7352 6.7369 7.3782 7.3900 7.5611 7.5685 7.7447 7.7467 15.4607 15.4617 15.8133 15.8151 16.8542 16.8570 18.0068 18.0092 18.3059 18.3076 k = 0.0000 0.0000 0.3882 ( 2172 PWs) bands (ev): -16.4296 -16.4294 -15.6333 -15.6330 -11.5266 -11.5258 -11.4425 -11.4417 -11.4378 -11.4375 -11.2023 -11.2022 -7.6320 -7.6319 -3.3497 -3.3493 -2.7596 -2.7591 -2.1995 -2.1954 -2.1581 -2.1543 -1.1359 -1.1358 3.5571 3.5602 3.9575 3.9589 4.0828 4.0844 4.8259 4.8333 4.9556 4.9573 5.3221 5.3286 5.9518 5.9518 6.6195 6.6399 6.7376 6.7393 7.3720 7.3827 7.4950 7.5022 7.7368 7.7386 15.4329 15.4338 15.8596 15.8611 16.7779 16.7804 18.0236 18.0258 18.3425 18.3444 k = 0.0000 0.0000 0.4008 ( 2184 PWs) bands (ev): -16.3808 -16.3806 -15.6976 -15.6973 -11.5211 -11.5203 -11.4485 -11.4478 -11.4090 -11.4087 -11.2000 -11.1999 -7.6629 -7.6628 -3.2981 -3.2977 -2.7914 -2.7908 -2.2098 -2.2057 -2.1757 -2.1718 -1.1267 -1.1267 3.6319 3.6352 3.9671 3.9684 4.0979 4.1001 4.8100 4.8160 4.9188 4.9205 5.3301 5.3359 6.0135 6.0152 6.5806 6.6001 6.7512 6.7526 7.3665 7.3758 7.4273 7.4342 7.7297 7.7314 15.4085 15.4092 15.9094 15.9107 16.7021 16.7043 18.0381 18.0400 18.3790 18.3812 k = 0.0000 0.0000 0.4133 ( 2178 PWs) bands (ev): -16.3307 -16.3305 -15.7609 -15.7606 -11.5155 -11.5147 -11.4546 -11.4539 -11.3837 -11.3834 -11.1985 -11.1984 -7.6894 -7.6893 -3.2477 -3.2472 -2.8247 -2.8241 -2.2185 -2.2143 -2.1912 -2.1871 -1.1189 -1.1189 3.7055 3.7092 3.9748 3.9760 4.1075 4.1103 4.7925 4.7971 4.8837 4.8854 5.3376 5.3427 6.0724 6.0760 6.5407 6.5594 6.7755 6.7763 7.3584 7.3618 7.3650 7.3699 7.7237 7.7252 15.3877 15.3883 15.9626 15.9636 16.6271 16.6289 18.0504 18.0520 18.4154 18.4178 k = 0.0000 0.0000 0.4258 ( 2178 PWs) bands (ev): -16.2793 -16.2791 -15.8232 -15.8229 -11.5097 -11.5090 -11.4607 -11.4601 -11.3621 -11.3619 -11.1979 -11.1979 -7.7113 -7.7112 -3.1986 -3.1981 -2.8596 -2.8590 -2.2254 -2.2212 -2.2044 -2.2003 -1.1125 -1.1124 3.7771 3.7810 3.9809 3.9819 4.1097 4.1130 4.7758 4.7790 4.8510 4.8527 5.3444 5.3485 6.1283 6.1339 6.4999 6.5177 6.8099 6.8099 7.2890 7.2952 7.3580 7.3645 7.7188 7.7200 15.3705 15.3710 16.0188 16.0196 16.5530 16.5545 18.0605 18.0618 18.4514 18.4541 k = 0.0000 0.0000 0.4383 ( 2178 PWs) bands (ev): -16.2266 -16.2263 -15.8843 -15.8840 -11.5039 -11.5031 -11.4670 -11.4662 -11.3447 -11.3445 -11.1980 -11.1980 -7.7285 -7.7284 -3.1508 -3.1502 -2.8962 -2.8955 -2.2305 -2.2263 -2.2152 -2.2111 -1.1074 -1.1074 3.8455 3.8495 3.9855 3.9864 4.1026 4.1065 4.7626 4.7645 4.8214 4.8231 5.3501 5.3533 6.1814 6.1890 6.4582 6.4750 6.8521 6.8532 7.2195 7.2252 7.3552 7.3601 7.7149 7.7158 15.3571 15.3575 16.0779 16.0784 16.4800 16.4812 18.0684 18.0694 18.4869 18.4899 k = 0.0000 0.0000 0.4509 ( 2166 PWs) bands (ev): -16.1725 -16.1723 -15.9443 -15.9440 -11.4978 -11.4971 -11.4732 -11.4725 -11.3317 -11.3316 -11.1984 -11.1984 -7.7408 -7.7407 -3.1044 -3.1038 -2.9345 -2.9339 -2.2335 -2.2293 -2.2236 -2.2194 -1.1037 -1.1037 3.9092 3.9134 3.9887 3.9895 4.0849 4.0893 4.7552 4.7560 4.7959 4.7974 5.3546 5.3567 6.2320 6.2415 6.4155 6.4312 6.9020 6.9040 7.1508 7.1560 7.3534 7.3567 7.7122 7.7128 15.3475 15.3478 16.1398 16.1400 16.4084 16.4094 18.0740 18.0747 18.5218 18.5251 k = 0.0000 0.0000 0.4634 ( 2166 PWs) bands (ev): -16.1173 -16.1170 -16.0031 -16.0029 -11.4918 -11.4910 -11.4794 -11.4787 -11.3237 -11.3236 -11.1989 -11.1989 -7.7482 -7.7482 -3.0596 -3.0589 -2.9746 -2.9739 -2.2345 -2.2303 -2.2296 -2.2254 -1.1015 -1.1015 3.9666 3.9705 3.9906 3.9917 4.0559 4.0606 4.7548 4.7549 4.7755 4.7767 5.3575 5.3586 6.2803 6.2916 6.3718 6.3862 6.9581 6.9610 7.0836 7.0882 7.3526 7.3543 7.7106 7.7109 15.3418 15.3419 16.2039 16.2040 16.3384 16.3390 18.0775 18.0778 18.5559 18.5596 k = 0.0000 0.0000 0.4759 ( 2166 PWs) bands (ev): -16.0608 -16.0608 -16.0606 -16.0606 -11.4856 -11.4856 -11.4849 -11.4849 -11.3209 -11.3209 -11.1991 -11.1991 -7.7507 -7.7507 -3.0163 -3.0163 -3.0156 -3.0156 -2.2332 -2.2332 -2.2290 -2.2290 -1.1008 -1.1008 3.9911 3.9911 4.0161 4.0161 4.0212 4.0212 4.7615 4.7615 4.7623 4.7623 5.3588 5.3588 6.3268 6.3268 6.3397 6.3397 7.0190 7.0190 7.0228 7.0228 7.3530 7.3530 7.7101 7.7101 15.3399 15.3399 16.2702 16.2702 16.2705 16.2705 18.0788 18.0788 18.5891 18.5891 k = 0.0000 0.0000 0.4759 ( 2166 PWs) bands (ev): -16.0608 -16.0608 -16.0606 -16.0606 -11.4856 -11.4856 -11.4849 -11.4849 -11.3209 -11.3209 -11.1991 -11.1991 -7.7507 -7.7507 -3.0163 -3.0163 -3.0156 -3.0156 -2.2332 -2.2332 -2.2290 -2.2290 -1.1008 -1.1008 3.9911 3.9911 4.0161 4.0161 4.0212 4.0212 4.7615 4.7615 4.7623 4.7623 5.3588 5.3588 6.3268 6.3268 6.3397 6.3397 7.0190 7.0190 7.0228 7.0228 7.3530 7.3530 7.7101 7.7101 15.3399 15.3399 16.2702 16.2702 16.2705 16.2705 18.0788 18.0788 18.5891 18.5891 k = 0.0109 0.0063 0.4759 ( 2178 PWs) bands (ev): -16.0603 -16.0603 -16.0599 -16.0599 -11.4884 -11.4884 -11.4859 -11.4858 -11.3210 -11.3209 -11.1996 -11.1996 -7.7476 -7.7476 -3.0178 -3.0177 -3.0158 -3.0156 -2.2318 -2.2318 -2.2276 -2.2275 -1.1001 -1.0998 3.9902 3.9914 4.0143 4.0145 4.0189 4.0205 4.7610 4.7615 4.7621 4.7622 5.3593 5.3599 6.3271 6.3272 6.3400 6.3402 7.0182 7.0188 7.0223 7.0223 7.3540 7.3544 7.7102 7.7103 15.3406 15.3408 16.2701 16.2702 16.2705 16.2707 18.0786 18.0786 18.5898 18.5899 k = 0.0217 0.0126 0.4759 ( 2170 PWs) bands (ev): -16.0591 -16.0591 -16.0575 -16.0575 -11.4977 -11.4977 -11.4880 -11.4879 -11.3212 -11.3211 -11.2010 -11.2009 -7.7383 -7.7382 -3.0229 -3.0228 -3.0154 -3.0151 -2.2278 -2.2274 -2.2235 -2.2231 -1.0977 -1.0972 3.9885 3.9908 4.0078 4.0085 4.0150 4.0185 4.7598 4.7609 4.7619 4.7624 5.3613 5.3625 6.3282 6.3285 6.3411 6.3417 7.0163 7.0174 7.0210 7.0211 7.3576 7.3583 7.7104 7.7108 15.3429 15.3433 16.2699 16.2703 16.2709 16.2714 18.0782 18.0782 18.5917 18.5919 k = 0.0326 0.0188 0.4759 ( 2174 PWs) bands (ev): -16.0571 -16.0571 -16.0536 -16.0536 -11.5131 -11.5131 -11.4915 -11.4913 -11.3215 -11.3213 -11.2032 -11.2032 -7.7228 -7.7227 -3.0314 -3.0313 -3.0147 -3.0142 -2.2214 -2.2201 -2.2169 -2.2157 -1.0937 -1.0929 3.9850 3.9878 3.9960 3.9976 4.0118 4.0167 4.7578 4.7594 4.7621 4.7629 5.3646 5.3664 6.3298 6.3305 6.3429 6.3442 7.0133 7.0147 7.0191 7.0193 7.3635 7.3646 7.7109 7.7114 15.3468 15.3474 16.2695 16.2701 16.2719 16.2726 18.0775 18.0775 18.5942 18.5945 k = 0.0435 0.0251 0.4759 ( 2174 PWs) bands (ev): -16.0542 -16.0542 -16.0481 -16.0481 -11.5345 -11.5344 -11.4963 -11.4961 -11.3220 -11.3217 -11.2064 -11.2063 -7.7014 -7.7012 -3.0430 -3.0428 -3.0135 -3.0130 -2.2129 -2.2105 -2.2075 -2.2051 -1.0880 -1.0870 3.9767 3.9787 3.9794 3.9861 4.0103 4.0158 4.7551 4.7571 4.7630 4.7640 5.3693 5.3715 6.3315 6.3331 6.3455 6.3477 7.0092 7.0108 7.0169 7.0174 7.3715 7.3730 7.7117 7.7123 15.3522 15.3531 16.2690 16.2698 16.2733 16.2742 18.0765 18.0766 18.5972 18.5977 k = 0.0543 0.0314 0.4759 ( 2166 PWs) bands (ev): -16.0506 -16.0506 -16.0410 -16.0410 -11.5614 -11.5613 -11.5024 -11.5021 -11.3226 -11.3223 -11.2104 -11.2103 -7.6743 -7.6741 -3.0573 -3.0571 -3.0120 -3.0113 -2.2027 -2.1997 -2.1944 -2.1914 -1.0808 -1.0795 3.9563 3.9583 3.9688 3.9746 4.0112 4.0164 4.7517 4.7542 4.7648 4.7659 5.3749 5.3776 6.3332 6.3359 6.3491 6.3525 7.0041 7.0058 7.0146 7.0153 7.3812 7.3831 7.7126 7.7133 15.3592 15.3603 16.2686 16.2696 16.2754 16.2766 18.0752 18.0753 18.6011 18.6018 k = 0.0652 0.0377 0.4759 ( 2168 PWs) bands (ev): -16.0462 -16.0462 -16.0323 -16.0323 -11.5938 -11.5937 -11.5098 -11.5095 -11.3234 -11.3231 -11.2153 -11.2152 -7.6418 -7.6416 -3.0741 -3.0739 -3.0100 -3.0091 -2.1911 -2.1879 -2.1780 -2.1748 -1.0720 -1.0705 3.9310 3.9330 3.9547 3.9597 4.0141 4.0187 4.7478 4.7507 4.7678 4.7691 5.3813 5.3844 6.3346 6.3385 6.3537 6.3583 6.9982 6.9999 7.0124 7.0132 7.3922 7.3945 7.7138 7.7146 15.3676 15.3689 16.2681 16.2693 16.2782 16.2795 18.0736 18.0737 18.6057 18.6065 k = 0.0761 0.0439 0.4759 ( 2164 PWs) bands (ev): -16.0410 -16.0410 -16.0221 -16.0221 -11.6311 -11.6310 -11.5184 -11.5181 -11.3245 -11.3241 -11.2209 -11.2208 -7.6043 -7.6040 -3.0930 -3.0928 -3.0074 -3.0065 -2.1784 -2.1751 -2.1585 -2.1553 -1.0618 -1.0600 3.9016 3.9037 3.9366 3.9410 4.0184 4.0225 4.7433 4.7467 4.7725 4.7738 5.3881 5.3916 6.3357 6.3405 6.3594 6.3650 6.9917 6.9934 7.0105 7.0115 7.4042 7.4070 7.7152 7.7162 15.3773 15.3789 16.2677 16.2690 16.2817 16.2833 18.0716 18.0718 18.6110 18.6120 k = 0.0870 0.0502 0.4759 ( 2168 PWs) bands (ev): -16.0351 -16.0351 -16.0103 -16.0103 -11.6732 -11.6731 -11.5282 -11.5279 -11.3259 -11.3255 -11.2273 -11.2271 -7.5620 -7.5616 -3.1137 -3.1135 -3.0043 -3.0033 -2.1648 -2.1615 -2.1362 -2.1331 -1.0503 -1.0483 3.8685 3.8709 3.9146 3.9186 4.0240 4.0277 4.7383 4.7420 4.7790 4.7804 5.3952 5.3989 6.3362 6.3419 6.3661 6.3725 6.9845 6.9863 7.0093 7.0103 7.4168 7.4200 7.7169 7.7181 15.3883 15.3900 16.2675 16.2690 16.2863 16.2880 18.0693 18.0696 18.6173 18.6183 k = 0.0978 0.0565 0.4759 ( 2172 PWs) bands (ev): -16.0285 -16.0284 -15.9969 -15.9969 -11.7196 -11.7195 -11.5393 -11.5389 -11.3276 -11.3271 -11.2343 -11.2341 -7.5154 -7.5150 -3.1359 -3.1357 -3.0006 -2.9995 -2.1506 -2.1474 -2.1114 -2.1082 -1.0374 -1.0352 3.8323 3.8349 3.8888 3.8925 4.0309 4.0342 4.7328 4.7369 4.7877 4.7892 5.4021 5.4061 6.3361 6.3424 6.3736 6.3806 6.9767 6.9787 7.0089 7.0099 7.4294 7.4333 7.7190 7.7205 15.4003 15.4024 16.2676 16.2692 16.2918 16.2938 18.0666 18.0670 18.6243 18.6255 k = 0.1087 0.0628 0.4759 ( 2168 PWs) bands (ev): -16.0211 -16.0210 -15.9820 -15.9820 -11.7700 -11.7698 -11.5514 -11.5510 -11.3297 -11.3292 -11.2418 -11.2416 -7.4648 -7.4644 -3.1592 -3.1590 -2.9962 -2.9951 -2.1361 -2.1329 -2.0841 -2.0809 -1.0235 -1.0211 3.7932 3.7960 3.8593 3.8628 4.0389 4.0419 4.7269 4.7313 4.7987 4.8002 5.4087 5.4129 6.3353 6.3420 6.3818 6.3892 6.9684 6.9705 7.0095 7.0105 7.4418 7.4463 7.7217 7.7236 15.4134 15.4157 16.2681 16.2697 16.2986 16.3008 18.0635 18.0640 18.6321 18.6335 k = 0.1196 0.0690 0.4759 ( 2168 PWs) bands (ev): -16.0130 -16.0130 -15.9655 -15.9655 -11.8240 -11.8238 -11.5647 -11.5643 -11.3321 -11.3316 -11.2498 -11.2496 -7.4107 -7.4102 -3.1833 -3.1832 -2.9912 -2.9900 -2.1214 -2.1182 -2.0545 -2.0514 -1.0085 -1.0060 3.7515 3.7545 3.8263 3.8298 4.0482 4.0510 4.7204 4.7252 4.8121 4.8137 5.4147 5.4190 6.3337 6.3408 6.3904 6.3982 6.9597 6.9618 7.0111 7.0120 7.4533 7.4585 7.7253 7.7277 15.4274 15.4299 16.2690 16.2708 16.3067 16.3091 18.0600 18.0606 18.6409 18.6423 k = 0.1304 0.0753 0.4759 ( 2170 PWs) bands (ev): -16.0043 -16.0043 -15.9475 -15.9475 -11.8812 -11.8811 -11.5791 -11.5787 -11.3350 -11.3345 -11.2581 -11.2579 -7.3534 -7.3529 -3.2082 -3.2080 -2.9854 -2.9842 -2.1066 -2.1034 -2.0228 -2.0198 -0.9927 -0.9900 3.7076 3.7107 3.7902 3.7938 4.0588 4.0614 4.7136 4.7185 4.8277 4.8294 5.4198 5.4241 6.3313 6.3386 6.3993 6.4075 6.9505 6.9527 7.0138 7.0147 7.4636 7.4696 7.7300 7.7330 15.4420 15.4448 16.2707 16.2726 16.3163 16.3189 18.0559 18.0568 18.6504 18.6520 k = 0.1413 0.0816 0.4759 ( 2172 PWs) bands (ev): -15.9949 -15.9949 -15.9280 -15.9280 -11.9415 -11.9413 -11.5945 -11.5941 -11.3384 -11.3379 -11.2666 -11.2664 -7.2934 -7.2928 -3.2334 -3.2332 -2.9790 -2.9776 -2.0919 -2.0887 -1.9892 -1.9862 -0.9763 -0.9734 3.6618 3.6651 3.7512 3.7549 4.0708 4.0731 4.7062 4.7114 4.8457 4.8475 5.4238 5.4282 6.3281 6.3355 6.4084 6.4168 6.9408 6.9432 7.0175 7.0184 7.4722 7.4790 7.7362 7.7398 15.4572 15.4603 16.2732 16.2752 16.3274 16.3302 18.0514 18.0524 18.6608 18.6625 k = 0.1522 0.0879 0.4759 ( 2170 PWs) bands (ev): -15.9849 -15.9849 -15.9070 -15.9070 -12.0043 -12.0041 -11.6110 -11.6105 -11.3422 -11.3417 -11.2752 -11.2750 -7.2309 -7.2303 -3.2588 -3.2586 -2.9718 -2.9704 -2.0773 -2.0742 -1.9539 -1.9509 -0.9593 -0.9563 3.6143 3.6178 3.7097 3.7137 4.0841 4.0863 4.6984 4.7038 4.8658 4.8677 5.4266 5.4309 6.3242 6.3316 6.4176 6.4263 6.9309 6.9332 7.0220 7.0229 7.4788 7.4864 7.7442 7.7483 15.4728 15.4761 16.2767 16.2788 16.3401 16.3433 18.0463 18.0474 18.6721 18.6739 k = 0.1630 0.0941 0.4759 ( 2170 PWs) bands (ev): -15.9744 -15.9743 -15.8844 -15.8844 -12.0695 -12.0693 -11.6284 -11.6280 -11.3466 -11.3461 -11.2839 -11.2837 -7.1663 -7.1658 -3.2842 -3.2840 -2.9639 -2.9625 -2.0629 -2.0598 -1.9170 -1.9141 -0.9420 -0.9389 3.5656 3.5692 3.6662 3.6704 4.0987 4.1008 4.6901 4.6956 4.8878 4.8899 5.4280 5.4322 6.3197 6.3270 6.4268 6.4357 6.9205 6.9229 7.0272 7.0281 7.4832 7.4915 7.7542 7.7589 15.4886 15.4922 16.2813 16.2835 16.3547 16.3581 18.0405 18.0418 18.6842 18.6862 k = 0.1739 0.1004 0.4759 ( 2170 PWs) bands (ev): -15.9633 -15.9633 -15.8604 -15.8604 -12.1367 -12.1365 -11.6468 -11.6463 -11.3515 -11.3510 -11.2923 -11.2922 -7.1001 -7.0995 -3.3094 -3.3093 -2.9554 -2.9540 -2.0487 -2.0456 -1.8787 -1.8758 -0.9247 -0.9215 3.5159 3.5196 3.6210 3.6254 4.1148 4.1167 4.6812 4.6868 4.9117 4.9139 5.4278 5.4320 6.3146 6.3217 6.4358 6.4449 6.9099 6.9122 7.0328 7.0336 7.4853 7.4942 7.7664 7.7714 15.5044 15.5083 16.2874 16.2897 16.3711 16.3748 18.0339 18.0354 18.6972 18.6992 k = 0.1848 0.1067 0.4759 ( 2170 PWs) bands (ev): -15.9517 -15.9517 -15.8349 -15.8348 -12.2057 -12.2055 -11.6660 -11.6655 -11.3569 -11.3565 -11.3006 -11.3005 -7.0325 -7.0319 -3.3343 -3.3342 -2.9462 -2.9447 -2.0346 -2.0317 -1.8393 -1.8364 -0.9074 -0.9041 3.4656 3.4692 3.5745 3.5791 4.1322 4.1340 4.6718 4.6775 4.9371 4.9395 5.4260 5.4302 6.3091 6.3159 6.4447 6.4540 6.8990 6.9011 7.0384 7.0394 7.4852 7.4946 7.7807 7.7860 15.5201 15.5242 16.2950 16.2974 16.3893 16.3933 18.0265 18.0282 18.7109 18.7131 k = 0.1957 0.1130 0.4759 ( 2166 PWs) bands (ev): -15.9397 -15.9396 -15.8078 -15.8078 -12.2762 -12.2760 -11.6860 -11.6856 -11.3629 -11.3625 -11.3086 -11.3085 -6.9638 -6.9632 -3.3588 -3.3587 -2.9364 -2.9349 -2.0208 -2.0179 -1.7988 -1.7960 -0.8904 -0.8871 3.4148 3.4185 3.5270 3.5318 4.1510 4.1527 4.6618 4.6674 4.9640 4.9666 5.4227 5.4267 6.3033 6.3097 6.4533 6.4628 6.8879 6.8899 7.0437 7.0449 7.4832 7.4929 7.7970 7.8024 15.5356 15.5400 16.3043 16.3069 16.4095 16.4138 18.0181 18.0200 18.7255 18.7278 k = 0.2065 0.1192 0.4759 ( 2166 PWs) bands (ev): -15.9272 -15.9272 -15.7794 -15.7794 -12.3480 -12.3478 -11.7068 -11.7063 -11.3693 -11.3690 -11.3163 -11.3163 -6.8944 -6.8937 -3.3827 -3.3826 -2.9260 -2.9246 -2.0071 -2.0042 -1.7575 -1.7548 -0.8740 -0.8707 3.3639 3.3676 3.4790 3.4838 4.1713 4.1728 4.6511 4.6567 4.9921 4.9948 5.4177 5.4216 6.2972 6.3031 6.4615 6.4711 6.8767 6.8784 7.0486 7.0499 7.4797 7.4895 7.8151 7.8205 15.5507 15.5553 16.3155 16.3182 16.4315 16.4362 18.0085 18.0106 18.7406 18.7432 k = 0.2174 0.1255 0.4759 ( 2166 PWs) bands (ev): -15.9144 -15.9144 -15.7495 -15.7495 -12.4209 -12.4208 -11.7282 -11.7277 -11.3762 -11.3759 -11.3237 -11.3236 -6.8245 -6.8239 -3.4059 -3.4059 -2.9151 -2.9137 -1.9935 -1.9907 -1.7155 -1.7129 -0.8583 -0.8549 3.3132 3.3169 3.4307 3.4356 4.1928 4.1943 4.6397 4.6453 5.0212 5.0240 5.4111 5.4149 6.2908 6.2961 6.4692 6.4791 6.8654 6.8668 7.0526 7.0541 7.4749 7.4848 7.8347 7.8400 15.5654 15.5702 16.3286 16.3314 16.4555 16.4605 17.9977 18.0000 18.7564 18.7591 k = 0.2283 0.1318 0.4759 ( 2166 PWs) bands (ev): -15.9013 -15.9013 -15.7182 -15.7181 -12.4948 -12.4946 -11.7502 -11.7497 -11.3835 -11.3832 -11.3307 -11.3306 -6.7545 -6.7538 -3.4284 -3.4284 -2.9038 -2.9024 -1.9800 -1.9773 -1.6731 -1.6705 -0.8435 -0.8401 3.2630 3.2666 3.3823 3.3873 4.2158 4.2172 4.6277 4.6331 5.0512 5.0541 5.4031 5.4068 6.2840 6.2886 6.4764 6.4865 6.8540 6.8553 7.0555 7.0573 7.4694 7.4792 7.8555 7.8606 15.5796 15.5846 16.3437 16.3467 16.4813 16.4867 17.9856 17.9881 18.7725 18.7754 k = 0.2391 0.1381 0.4759 ( 2174 PWs) bands (ev): -15.8880 -15.8879 -15.6855 -15.6854 -12.5693 -12.5691 -11.7726 -11.7722 -11.3910 -11.3907 -11.3374 -11.3374 -6.6846 -6.6840 -3.4500 -3.4500 -2.8922 -2.8908 -1.9665 -1.9639 -1.6305 -1.6280 -0.8298 -0.8264 3.2135 3.2170 3.3342 3.3392 4.2399 4.2414 4.6149 4.6202 5.0819 5.0849 5.3937 5.3973 6.2767 6.2806 6.4829 6.4932 6.8428 6.8438 7.0572 7.0592 7.4635 7.4730 7.8773 7.8821 15.5933 15.5984 16.3608 16.3640 16.5090 16.5147 17.9721 17.9748 18.7888 18.7919 k = 0.2500 0.1443 0.4759 ( 2172 PWs) bands (ev): -15.8744 -15.8743 -15.6514 -15.6514 -12.6444 -12.6442 -11.7954 -11.7950 -11.3986 -11.3984 -11.3439 -11.3438 -6.6151 -6.6145 -3.4707 -3.4707 -2.8802 -2.8789 -1.9530 -1.9505 -1.5878 -1.5853 -0.8174 -0.8140 3.1651 3.1685 3.2867 3.2916 4.2653 4.2668 4.6014 4.6064 5.1131 5.1162 5.3832 5.3867 6.2688 6.2719 6.4888 6.4992 6.8319 6.8327 7.0574 7.0597 7.4575 7.4668 7.8998 7.9044 15.6067 15.6119 16.3799 16.3832 16.5385 16.5445 17.9571 17.9600 18.8050 18.8083 k = 0.2609 0.1506 0.4759 ( 2164 PWs) bands (ev): -15.8606 -15.8606 -15.6160 -15.6159 -12.7198 -12.7196 -11.8185 -11.8181 -11.4063 -11.4062 -11.3502 -11.3500 -6.5463 -6.5456 -3.4904 -3.4903 -2.8681 -2.8668 -1.9395 -1.9370 -1.5452 -1.5428 -0.8063 -0.8030 3.1179 3.1212 3.2398 3.2447 4.2918 4.2934 4.5872 4.5920 5.1447 5.1478 5.3717 5.3751 6.2600 6.2622 6.4938 6.5045 6.8213 6.8221 7.0562 7.0588 7.4517 7.4606 7.9229 7.9272 15.6197 15.6250 16.4008 16.4042 16.5698 16.5761 17.9406 17.9437 18.8206 18.8242 k = 0.2717 0.1569 0.4759 ( 2160 PWs) bands (ev): -15.8468 -15.8468 -15.5792 -15.5792 -12.7955 -12.7953 -11.8417 -11.8413 -11.4140 -11.4139 -11.3562 -11.3560 -6.4784 -6.4777 -3.5090 -3.5089 -2.8559 -2.8546 -1.9259 -1.9235 -1.5029 -1.5006 -0.7969 -0.7935 3.0723 3.0755 3.1939 3.1987 4.3192 4.3211 4.5726 4.5770 5.1764 5.1795 5.3595 5.3628 6.2499 6.2513 6.4980 6.5088 6.8114 6.8122 7.0534 7.0565 7.4463 7.4548 7.9463 7.9502 15.6325 15.6379 16.4232 16.4267 16.6029 16.6095 17.9226 17.9259 18.8351 18.8390 k = 0.2826 0.1632 0.4759 ( 2160 PWs) bands (ev): -15.8330 -15.8329 -15.5412 -15.5412 -12.8712 -12.8710 -11.8649 -11.8645 -11.4216 -11.4215 -11.3621 -11.3619 -6.4117 -6.4110 -3.5265 -3.5264 -2.8436 -2.8424 -1.9122 -1.9098 -1.4611 -1.4589 -0.7891 -0.7857 3.0284 3.0314 3.1491 3.1539 4.3472 4.3494 4.5577 4.5616 5.2081 5.2113 5.3468 5.3500 6.2382 6.2390 6.5013 6.5124 6.8021 6.8032 7.0493 7.0527 7.4415 7.4495 7.9698 7.9734 15.6453 15.6507 16.4469 16.4504 16.6378 16.6445 17.9032 17.9066 18.8478 18.8518 k = 0.2935 0.1694 0.4759 ( 2164 PWs) bands (ev): -15.8192 -15.8192 -15.5019 -15.5019 -12.9469 -12.9467 -11.8880 -11.8877 -11.4291 -11.4290 -11.3678 -11.3676 -6.3464 -6.3457 -3.5428 -3.5427 -2.8313 -2.8302 -1.8983 -1.8961 -1.4201 -1.4179 -0.7830 -0.7797 2.9864 2.9893 3.1057 3.1103 4.3751 4.3779 4.5431 4.5465 5.2395 5.2427 5.3340 5.3371 6.2242 6.2252 6.5038 6.5150 6.7939 6.7951 7.0440 7.0478 7.4372 7.4448 7.9932 7.9966 15.6581 15.6635 16.4714 16.4749 16.6746 16.6814 17.8824 17.8860 18.8576 18.8618 k = 0.3043 0.1757 0.4759 ( 2164 PWs) bands (ev): -15.8056 -15.8055 -15.4615 -15.4615 -13.0223 -13.0222 -11.9110 -11.9106 -11.4363 -11.4362 -11.3733 -11.3731 -6.2828 -6.2822 -3.5579 -3.5579 -2.8192 -2.8181 -1.8843 -1.8822 -1.3799 -1.3779 -0.7786 -0.7754 2.9464 2.9492 3.0637 3.0682 4.4014 4.4053 4.5302 4.5331 5.2700 5.2732 5.3221 5.3246 6.2077 6.2093 6.5056 6.5170 6.7868 6.7881 7.0377 7.0419 7.4334 7.4406 8.0164 8.0195 15.6711 15.6765 16.4962 16.4997 16.7133 16.7201 17.8605 17.8641 18.8633 18.8676 k = 0.3152 0.1820 0.4759 ( 2160 PWs) bands (ev): -15.7921 -15.7920 -15.4199 -15.4199 -13.0974 -13.0973 -11.9335 -11.9332 -11.4433 -11.4432 -11.3787 -11.3784 -6.2212 -6.2205 -3.5719 -3.5718 -2.8073 -2.8062 -1.8702 -1.8682 -1.3409 -1.3389 -0.7760 -0.7729 2.9087 2.9113 3.0235 3.0278 4.4224 4.4280 4.5223 4.5252 5.2931 5.2971 5.3170 5.3187 6.1887 6.1910 6.5068 6.5183 6.7808 6.7822 7.0307 7.0352 7.4303 7.4370 8.0392 8.0421 15.6846 15.6899 16.5207 16.5241 16.7541 16.7608 17.8377 17.8414 18.8635 18.8677 k = 0.3261 0.1883 0.4759 ( 2156 PWs) bands (ev): -15.7788 -15.7788 -15.3773 -15.3772 -13.1720 -13.1719 -11.9556 -11.9553 -11.4500 -11.4499 -11.3839 -11.3836 -6.1617 -6.1610 -3.5846 -3.5844 -2.7956 -2.7946 -1.8561 -1.8541 -1.3031 -1.3012 -0.7752 -0.7721 2.8732 2.8757 2.9851 2.9893 4.4317 4.4385 4.5265 4.5301 5.2894 5.2934 5.3378 5.3407 6.1671 6.1700 6.5077 6.5191 6.7759 6.7773 7.0231 7.0281 7.4276 7.4339 8.0616 8.0642 15.6985 15.7039 16.5444 16.5477 16.7972 16.8037 17.8142 17.8179 18.8567 18.8608 k = 0.3370 0.1945 0.4759 ( 2148 PWs) bands (ev): -15.7659 -15.7658 -15.3336 -15.3336 -13.2460 -13.2458 -11.9772 -11.9769 -11.4564 -11.4563 -11.3889 -11.3886 -6.1046 -6.1039 -3.5960 -3.5959 -2.7843 -2.7834 -1.8419 -1.8400 -1.2668 -1.2650 -0.7760 -0.7730 2.8401 2.8424 2.9487 2.9527 4.4268 4.4334 4.5465 4.5496 5.2782 5.2819 5.3667 5.3696 6.1428 6.1462 6.5083 6.5197 6.7719 6.7733 7.0154 7.0206 7.4254 7.4312 8.0832 8.0856 15.7132 15.7184 16.5667 16.5697 16.8427 16.8489 17.7904 17.7942 18.8421 18.8459 k = 0.3478 0.2008 0.4759 ( 2148 PWs) bands (ev): -15.7534 -15.7533 -15.2891 -15.2890 -13.3192 -13.3190 -11.9980 -11.9977 -11.4624 -11.4623 -11.3936 -11.3934 -6.0501 -6.0495 -3.6063 -3.6061 -2.7734 -2.7726 -1.8277 -1.8259 -1.2321 -1.2304 -0.7783 -0.7754 2.8092 2.8114 2.9145 2.9183 4.4135 4.4192 4.5758 4.5783 5.2666 5.2700 5.3957 5.3986 6.1159 6.1196 6.5088 6.5202 6.7687 6.7701 7.0076 7.0132 7.4235 7.4289 8.1041 8.1062 15.7285 15.7337 16.5867 16.5896 16.8906 16.8964 17.7666 17.7704 18.8189 18.8224 k = 0.3587 0.2071 0.4759 ( 2148 PWs) bands (ev): -15.7414 -15.7413 -15.2437 -15.2437 -13.3914 -13.3913 -12.0180 -12.0177 -11.4681 -11.4680 -11.3982 -11.3980 -5.9984 -5.9978 -3.6154 -3.6152 -2.7630 -2.7622 -1.8136 -1.8119 -1.1993 -1.1977 -0.7821 -0.7792 2.7808 2.7827 2.8826 2.8862 4.3964 4.4014 4.6092 4.6112 5.2554 5.2586 5.4241 5.4268 6.0865 6.0904 6.5094 6.5206 6.7661 6.7674 7.0001 7.0059 7.4219 7.4269 8.1241 8.1260 15.7446 15.7497 16.6042 16.6069 16.9410 16.9464 17.7433 17.7470 18.7873 18.7906 k = 0.3696 0.2134 0.4759 ( 2152 PWs) bands (ev): -15.7299 -15.7298 -15.1977 -15.1977 -13.4625 -13.4623 -12.0370 -12.0368 -11.4734 -11.4733 -11.4025 -11.4023 -5.9498 -5.9492 -3.6233 -3.6231 -2.7531 -2.7524 -1.7997 -1.7981 -1.1684 -1.1669 -0.7870 -0.7843 2.7545 2.7563 2.8532 2.8566 4.3777 4.3821 4.6446 4.6463 5.2447 5.2478 5.4515 5.4541 6.0549 6.0589 6.5102 6.5211 6.7638 6.7650 6.9931 6.9989 7.4205 7.4252 8.1430 8.1447 15.7615 15.7664 16.6186 16.6212 16.9938 16.9988 17.7209 17.7245 18.7479 18.7510 k = 0.3804 0.2196 0.4759 ( 2152 PWs) bands (ev): -15.7190 -15.7189 -15.1512 -15.1512 -13.5322 -13.5320 -12.0550 -12.0548 -11.4783 -11.4782 -11.4066 -11.4064 -5.9044 -5.9038 -3.6301 -3.6300 -2.7438 -2.7431 -1.7861 -1.7846 -1.1397 -1.1382 -0.7929 -0.7903 2.7305 2.7321 2.8264 2.8296 4.3585 4.3623 4.6811 4.6826 5.2348 5.2377 5.4776 5.4801 6.0216 6.0255 6.5111 6.5217 6.7617 6.7627 6.9866 6.9924 7.4194 7.4237 8.1608 8.1624 15.7790 15.7838 16.6297 16.6323 17.0490 17.0535 17.6998 17.7033 18.7015 18.7046 k = 0.3913 0.2259 0.4759 ( 2150 PWs) bands (ev): -15.7088 -15.7087 -15.1045 -15.1045 -13.6002 -13.6001 -12.0719 -12.0717 -11.4828 -11.4827 -11.4104 -11.4102 -5.8623 -5.8618 -3.6359 -3.6358 -2.7351 -2.7345 -1.7730 -1.7716 -1.1132 -1.1119 -0.7995 -0.7970 2.7086 2.7100 2.8023 2.8052 4.3394 4.3427 4.7180 4.7193 5.2258 5.2284 5.5024 5.5047 5.9869 5.9908 6.5122 6.5223 6.7595 6.7604 6.9808 6.9865 7.4184 7.4223 8.1773 8.1788 15.7972 15.8018 16.6373 16.6400 17.1063 17.1103 17.6805 17.6837 18.6492 18.6521 k = 0.4022 0.2322 0.4759 ( 2146 PWs) bands (ev): -15.6993 -15.6992 -15.0578 -15.0578 -13.6663 -13.6662 -12.0874 -12.0872 -11.4869 -11.4868 -11.4139 -11.4137 -5.8238 -5.8234 -3.6408 -3.6406 -2.7271 -2.7266 -1.7604 -1.7591 -1.0891 -1.0879 -0.8065 -0.8042 2.6887 2.6900 2.7809 2.7836 4.3208 4.3237 4.7548 4.7562 5.2175 5.2200 5.5256 5.5277 5.9516 5.9553 6.5135 6.5231 6.7572 6.7580 6.9759 6.9813 7.4176 7.4212 8.1926 8.1939 15.8157 15.8201 16.6415 16.6443 17.1655 17.1690 17.6632 17.6661 18.5920 18.5949 k = 0.4130 0.2385 0.4759 ( 2150 PWs) bands (ev): -15.6906 -15.6906 -15.0116 -15.0115 -13.7301 -13.7299 -12.1016 -12.1015 -11.4906 -11.4905 -11.4171 -11.4169 -5.7890 -5.7886 -3.6447 -3.6446 -2.7198 -2.7193 -1.7485 -1.7473 -1.0676 -1.0665 -0.8137 -0.8115 2.6708 2.6719 2.7623 2.7646 4.3031 4.3056 4.7911 4.7925 5.2102 5.2124 5.5469 5.5488 5.9162 5.9196 6.5150 6.5239 6.7547 6.7554 6.9717 6.9768 7.4170 7.4201 8.2065 8.2076 15.8343 15.8384 16.6426 16.6454 17.2259 17.2290 17.6481 17.6507 18.5310 18.5337 k = 0.4239 0.2447 0.4759 ( 2146 PWs) bands (ev): -15.6828 -15.6828 -14.9662 -14.9662 -13.7908 -13.7907 -12.1144 -12.1142 -11.4938 -11.4938 -11.4199 -11.4197 -5.7581 -5.7577 -3.6479 -3.6478 -2.7132 -2.7128 -1.7375 -1.7364 -1.0487 -1.0476 -0.8206 -0.8187 2.6549 2.6558 2.7463 2.7483 4.2866 4.2888 4.8264 4.8277 5.2037 5.2057 5.5661 5.5678 5.8815 5.8846 6.5165 6.5247 6.7521 6.7527 6.9683 6.9730 7.4164 7.4192 8.2189 8.2199 15.8527 15.8565 16.6410 16.6437 17.2870 17.2896 17.6359 17.6381 18.4673 18.4699 k = 0.4348 0.2510 0.4759 ( 2150 PWs) bands (ev): -15.6760 -15.6759 -14.9225 -14.9224 -13.8480 -13.8479 -12.1256 -12.1255 -11.4967 -11.4966 -11.4224 -11.4223 -5.7310 -5.7307 -3.6505 -3.6503 -2.7075 -2.7072 -1.7275 -1.7266 -1.0324 -1.0315 -0.8271 -0.8254 2.6410 2.6418 2.7329 2.7346 4.2717 4.2735 4.8600 4.8612 5.1981 5.1998 5.5831 5.5846 5.8483 5.8511 6.5181 6.5254 6.7494 6.7499 6.9657 6.9698 7.4160 7.4184 8.2298 8.2306 15.8704 15.8739 16.6373 16.6398 17.3477 17.3498 17.6266 17.6285 18.4021 18.4047 k = 0.4457 0.2573 0.4759 ( 2152 PWs) bands (ev): -15.6701 -15.6700 -14.8813 -14.8812 -13.9007 -13.9006 -12.1352 -12.1351 -11.4991 -11.4990 -11.4245 -11.4244 -5.7080 -5.7077 -3.6524 -3.6523 -2.7026 -2.7023 -1.7187 -1.7179 -1.0189 -1.0181 -0.8328 -0.8313 2.6291 2.6297 2.7219 2.7233 4.2586 4.2601 4.8911 4.8923 5.1933 5.1948 5.5975 5.5987 5.8177 5.8200 6.5197 6.5260 6.7466 6.7472 6.9638 6.9673 7.4157 7.4177 8.2391 8.2398 15.8869 15.8899 16.6321 16.6344 17.4062 17.4078 17.6213 17.6228 18.3370 18.3394 k = 0.4565 0.2636 0.4759 ( 2154 PWs) bands (ev): -15.6652 -15.6652 -14.8438 -14.8437 -13.9475 -13.9475 -12.1432 -12.1431 -11.5010 -11.5010 -11.4263 -11.4262 -5.6890 -5.6888 -3.6538 -3.6538 -2.6985 -2.6983 -1.7113 -1.7106 -1.0081 -1.0074 -0.8376 -0.8364 2.6193 2.6197 2.7132 2.7143 4.2476 4.2488 4.9188 4.9199 5.1894 5.1907 5.6092 5.6101 5.7907 5.7926 6.5212 6.5264 6.7441 6.7446 6.9624 6.9653 7.4155 7.4171 8.2467 8.2473 15.9017 15.9042 16.6263 16.6283 17.4593 17.4604 17.6212 17.6227 18.2737 18.2760 k = 0.4674 0.2698 0.4759 ( 2150 PWs) bands (ev): -15.6613 -15.6613 -14.8116 -14.8115 -13.9870 -13.9870 -12.1494 -12.1494 -11.5026 -11.5025 -11.4277 -11.4276 -5.6742 -5.6740 -3.6549 -3.6548 -2.6953 -2.6951 -1.7053 -1.7048 -0.9998 -0.9993 -0.8413 -0.8404 2.6116 2.6119 2.7066 2.7075 4.2388 4.2397 4.9421 4.9430 5.1864 5.1874 5.6179 5.6186 5.7686 5.7700 6.5226 6.5266 6.7420 6.7424 6.9615 6.9637 7.4154 7.4166 8.2528 8.2532 15.9141 15.9161 16.6207 16.6223 17.5015 17.5025 17.6293 17.6312 18.2151 18.2171 k = 0.4783 0.2761 0.4759 ( 2146 PWs) bands (ev): -15.6586 -15.6586 -14.7864 -14.7864 -14.0173 -14.0173 -12.1539 -12.1539 -11.5037 -11.5036 -11.4287 -11.4286 -5.6636 -5.6635 -3.6555 -3.6555 -2.6930 -2.6928 -1.7009 -1.7006 -0.9941 -0.9938 -0.8439 -0.8432 2.6061 2.6063 2.7021 2.7027 4.2324 4.2330 4.9599 4.9605 5.1843 5.1850 5.6237 5.6242 5.7523 5.7532 6.5239 6.5266 6.7404 6.7407 6.9611 6.9626 7.4154 7.4162 8.2571 8.2574 15.9236 15.9249 16.6161 16.6172 17.5278 17.5288 17.6471 17.6490 18.1653 18.1669 k = 0.4891 0.2824 0.4759 ( 2144 PWs) bands (ev): -15.6569 -15.6569 -14.7703 -14.7703 -14.0366 -14.0365 -12.1566 -12.1566 -11.5043 -11.5043 -11.4292 -11.4292 -5.6572 -5.6571 -3.6559 -3.6559 -2.6915 -2.6915 -1.6982 -1.6980 -0.9907 -0.9905 -0.8453 -0.8450 2.6028 2.6029 2.6995 2.6998 4.2286 4.2289 4.9711 4.9715 5.1831 5.1835 5.6269 5.6271 5.7424 5.7429 6.5249 6.5263 6.7394 6.7396 6.9610 6.9617 7.4155 7.4159 8.2598 8.2599 15.9296 15.9303 16.6132 16.6138 17.5399 17.5405 17.6670 17.6682 18.1306 18.1315 k = 0.5000 0.2887 0.4759 ( 2148 PWs) bands (ev): -15.6563 -15.6563 -14.7648 -14.7648 -14.0432 -14.0432 -12.1575 -12.1575 -11.5045 -11.5045 -11.4294 -11.4294 -5.6550 -5.6550 -3.6560 -3.6560 -2.6911 -2.6911 -1.6972 -1.6972 -0.9895 -0.9895 -0.8457 -0.8457 2.6017 2.6017 2.6987 2.6987 4.2274 4.2274 4.9751 4.9751 5.1829 5.1829 5.6280 5.6280 5.7393 5.7393 6.5257 6.5257 6.7391 6.7391 6.9612 6.9612 7.4156 7.4156 8.2607 8.2607 15.9319 15.9319 16.6123 16.6123 17.5434 17.5434 17.6761 17.6761 18.1182 18.1182 k = 0.5000 0.2887 0.4759 ( 2148 PWs) bands (ev): -15.6563 -15.6563 -14.7648 -14.7648 -14.0432 -14.0432 -12.1575 -12.1575 -11.5045 -11.5045 -11.4294 -11.4294 -5.6550 -5.6550 -3.6560 -3.6560 -2.6911 -2.6911 -1.6972 -1.6972 -0.9895 -0.9895 -0.8457 -0.8457 2.6017 2.6017 2.6987 2.6987 4.2274 4.2274 4.9751 4.9751 5.1829 5.1829 5.6280 5.6280 5.7393 5.7393 6.5257 6.5257 6.7391 6.7391 6.9612 6.9612 7.4156 7.4156 8.2607 8.2607 15.9319 15.9319 16.6123 16.6123 17.5434 17.5434 17.6761 17.6761 18.1182 18.1182 k = 0.4938 0.2994 0.4759 ( 2148 PWs) bands (ev): -15.6559 -15.6559 -14.7645 -14.7645 -14.0434 -14.0434 -12.1576 -12.1576 -11.5049 -11.5049 -11.4305 -11.4305 -5.6525 -5.6524 -3.6566 -3.6566 -2.6919 -2.6919 -1.6964 -1.6963 -0.9901 -0.9900 -0.8464 -0.8463 2.5984 2.5992 2.7021 2.7028 4.2258 4.2259 4.9756 4.9756 5.1832 5.1833 5.6277 5.6277 5.7410 5.7410 6.5247 6.5252 6.7389 6.7389 6.9613 6.9618 7.4164 7.4164 8.2593 8.2594 15.9320 15.9321 16.6110 16.6111 17.5412 17.5415 17.6777 17.6782 18.1197 18.1199 k = 0.4877 0.3101 0.4759 ( 2156 PWs) bands (ev): -15.6547 -15.6547 -14.7635 -14.7635 -14.0443 -14.0443 -12.1579 -12.1579 -11.5060 -11.5059 -11.4336 -11.4336 -5.6448 -5.6447 -3.6584 -3.6584 -2.6946 -2.6945 -1.6939 -1.6937 -0.9919 -0.9917 -0.8484 -0.8481 2.5905 2.5918 2.7121 2.7132 4.2209 4.2211 4.9770 4.9771 5.1842 5.1846 5.6270 5.6270 5.7461 5.7462 6.5220 6.5231 6.7383 6.7383 6.9622 6.9631 7.4186 7.4187 8.2552 8.2554 15.9325 15.9327 16.6070 16.6072 17.5352 17.5358 17.6829 17.6839 18.1243 18.1248 k = 0.4815 0.3208 0.4759 ( 2160 PWs) bands (ev): -15.6527 -15.6527 -14.7618 -14.7618 -14.0458 -14.0458 -12.1584 -12.1584 -11.5077 -11.5077 -11.4388 -11.4388 -5.6321 -5.6320 -3.6614 -3.6614 -2.6988 -2.6988 -1.6896 -1.6894 -0.9949 -0.9944 -0.8517 -0.8513 2.5799 2.5815 2.7266 2.7279 4.2128 4.2132 4.9795 4.9797 5.1861 5.1866 5.6260 5.6260 5.7543 5.7544 6.5177 6.5194 6.7374 6.7374 6.9638 6.9652 7.4223 7.4224 8.2485 8.2487 15.9333 15.9337 16.6006 16.6009 17.5262 17.5269 17.6910 17.6925 18.1319 18.1326 k = 0.4753 0.3314 0.4759 ( 2164 PWs) bands (ev): -15.6499 -15.6499 -14.7595 -14.7595 -14.0479 -14.0479 -12.1592 -12.1591 -11.5102 -11.5101 -11.4459 -11.4458 -5.6143 -5.6142 -3.6658 -3.6657 -2.7046 -2.7045 -1.6838 -1.6835 -0.9989 -0.9984 -0.8562 -0.8556 2.5682 2.5700 2.7441 2.7455 4.2017 4.2021 4.9830 4.9832 5.1889 5.1895 5.6248 5.6248 5.7653 5.7655 6.5118 6.5140 6.7360 6.7360 6.9663 6.9680 7.4274 7.4275 8.2391 8.2393 15.9346 15.9351 16.5919 16.5923 17.5150 17.5158 17.7014 17.7031 18.1423 18.1433 k = 0.4691 0.3421 0.4759 ( 2160 PWs) bands (ev): -15.6464 -15.6464 -14.7565 -14.7565 -14.0507 -14.0507 -12.1601 -12.1601 -11.5133 -11.5132 -11.4547 -11.4547 -5.5918 -5.5917 -3.6715 -3.6715 -2.7116 -2.7115 -1.6764 -1.6761 -1.0041 -1.0034 -0.8618 -0.8611 2.5561 2.5580 2.7637 2.7651 4.1876 4.1881 4.9875 4.9878 5.1926 5.1932 5.6236 5.6237 5.7787 5.7790 6.5044 6.5071 6.7343 6.7343 6.9696 6.9717 7.4337 7.4340 8.2273 8.2275 15.9363 15.9369 16.5811 16.5816 17.5021 17.5029 17.7134 17.7154 18.1551 18.1564 k = 0.4630 0.3528 0.4759 ( 2156 PWs) bands (ev): -15.6421 -15.6421 -14.7527 -14.7527 -14.0541 -14.0541 -12.1614 -12.1613 -11.5170 -11.5169 -11.4651 -11.4651 -5.5646 -5.5644 -3.6789 -3.6788 -2.7198 -2.7197 -1.6676 -1.6672 -1.0103 -1.0095 -0.8686 -0.8678 2.5441 2.5460 2.7850 2.7863 4.1706 4.1712 4.9930 4.9933 5.1972 5.1979 5.6224 5.6226 5.7940 5.7944 6.4955 6.4985 6.7323 6.7323 6.9740 6.9764 7.4413 7.4415 8.2130 8.2133 15.9385 15.9392 16.5683 16.5689 17.4880 17.4888 17.7267 17.7289 18.1700 18.1716 k = 0.4568 0.3635 0.4759 ( 2154 PWs) bands (ev): -15.6372 -15.6372 -14.7482 -14.7482 -14.0583 -14.0583 -12.1630 -12.1629 -11.5213 -11.5212 -11.4769 -11.4768 -5.5328 -5.5327 -3.6879 -3.6878 -2.7287 -2.7286 -1.6574 -1.6570 -1.0176 -1.0166 -0.8764 -0.8755 2.5324 2.5342 2.8076 2.8088 4.1510 4.1516 4.9994 4.9998 5.2029 5.2036 5.6213 5.6216 5.8111 5.8116 6.4850 6.4884 6.7300 6.7300 6.9794 6.9819 7.4498 7.4502 8.1964 8.1968 15.9412 15.9421 16.5538 16.5545 17.4730 17.4738 17.7410 17.7434 18.1865 18.1883 k = 0.4506 0.3742 0.4759 ( 2154 PWs) bands (ev): -15.6316 -15.6316 -14.7429 -14.7429 -14.0633 -14.0633 -12.1649 -12.1648 -11.5261 -11.5260 -11.4898 -11.4897 -5.4968 -5.4966 -3.6989 -3.6988 -2.7383 -2.7382 -1.6460 -1.6455 -1.0259 -1.0248 -0.8852 -0.8842 2.5212 2.5229 2.8314 2.8324 4.1289 4.1295 5.0068 5.0072 5.2096 5.2102 5.6203 5.6208 5.8294 5.8300 6.4731 6.4767 6.7274 6.7275 6.9857 6.9885 7.4593 7.4598 8.1777 8.1780 15.9446 15.9455 16.5380 16.5388 17.4574 17.4581 17.7562 17.7588 18.2041 18.2062 k = 0.4444 0.3849 0.4759 ( 2162 PWs) bands (ev): -15.6255 -15.6255 -14.7368 -14.7368 -14.0692 -14.0692 -12.1672 -12.1671 -11.5315 -11.5313 -11.5036 -11.5034 -5.4568 -5.4566 -3.7120 -3.7119 -2.7481 -2.7480 -1.6335 -1.6329 -1.0352 -1.0340 -0.8948 -0.8937 2.5104 2.5121 2.8563 2.8572 4.1044 4.1050 5.0151 5.0156 5.2172 5.2177 5.6194 5.6200 5.8486 5.8494 6.4597 6.4636 6.7245 6.7246 6.9931 6.9959 7.4696 7.4701 8.1570 8.1573 15.9486 15.9496 16.5209 16.5218 17.4412 17.4419 17.7722 17.7750 18.2222 18.2246 k = 0.4383 0.3956 0.4759 ( 2154 PWs) bands (ev): -15.6189 -15.6189 -14.7298 -14.7297 -14.0760 -14.0760 -12.1699 -12.1698 -11.5373 -11.5371 -11.5179 -11.5177 -5.4130 -5.4128 -3.7273 -3.7272 -2.7580 -2.7578 -1.6199 -1.6193 -1.0454 -1.0441 -0.9052 -0.9041 2.5002 2.5018 2.8822 2.8829 4.0778 4.0783 5.0242 5.0249 5.2258 5.2261 5.6187 5.6194 5.8686 5.8695 6.4452 6.4492 6.7214 6.7216 7.0014 7.0042 7.4807 7.4813 8.1345 8.1349 15.9533 15.9545 16.5030 16.5040 17.4248 17.4254 17.7891 17.7920 18.2405 18.2432 k = 0.4321 0.4063 0.4759 ( 2146 PWs) bands (ev): -15.6119 -15.6118 -14.7219 -14.7218 -14.0838 -14.0838 -12.1731 -12.1730 -11.5435 -11.5433 -11.5324 -11.5323 -5.3657 -5.3655 -3.7451 -3.7450 -2.7676 -2.7674 -1.6054 -1.6048 -1.0564 -1.0551 -0.9163 -0.9151 2.4906 2.4920 2.9092 2.9096 4.0493 4.0497 5.0343 5.0350 5.2351 5.2352 5.6180 5.6190 5.8889 5.8899 6.4295 6.4337 6.7182 6.7184 7.0105 7.0133 7.4923 7.4930 8.1105 8.1109 15.9589 15.9602 16.4843 16.4854 17.4081 17.4088 17.8068 17.8098 18.2584 18.2614 k = 0.4259 0.4170 0.4759 ( 2146 PWs) bands (ev): -15.6045 -15.6045 -14.7129 -14.7129 -14.0927 -14.0927 -12.1768 -12.1767 -11.5500 -11.5498 -11.5470 -11.5468 -5.3153 -5.3150 -3.7655 -3.7654 -2.7767 -2.7765 -1.5901 -1.5894 -1.0683 -1.0669 -0.9279 -0.9267 2.4815 2.4829 2.9370 2.9373 4.0189 4.0192 5.0452 5.0460 5.2450 5.2451 5.6174 5.6186 5.9093 5.9105 6.4128 6.4170 6.7147 6.7149 7.0203 7.0231 7.5045 7.5053 8.0851 8.0855 15.9653 15.9667 16.4651 16.4663 17.3914 17.3920 17.8253 17.8284 18.2753 18.2785 k = 0.4198 0.4277 0.4759 ( 2150 PWs) bands (ev): -15.5969 -15.5968 -14.7029 -14.7029 -14.1028 -14.1028 -12.1809 -12.1808 -11.5613 -11.5611 -11.5568 -11.5566 -5.2619 -5.2616 -3.7886 -3.7885 -2.7852 -2.7850 -1.5740 -1.5733 -1.0809 -1.0795 -0.9399 -0.9387 2.4730 2.4742 2.9658 2.9659 3.9869 3.9871 5.0568 5.0578 5.2551 5.2556 5.6169 5.6183 5.9296 5.9309 6.3953 6.3995 6.7111 6.7114 7.0306 7.0334 7.5172 7.5180 8.0587 8.0590 15.9726 15.9741 16.4455 16.4468 17.3747 17.3753 17.8445 17.8478 18.2907 18.2942 k = 0.4136 0.4384 0.4759 ( 2146 PWs) bands (ev): -15.5891 -15.5891 -14.6918 -14.6917 -14.1142 -14.1141 -12.1856 -12.1854 -11.5750 -11.5748 -11.5638 -11.5636 -5.2060 -5.2057 -3.8145 -3.8144 -2.7928 -2.7926 -1.5572 -1.5565 -1.0942 -1.0927 -0.9523 -0.9510 2.4650 2.4661 2.9954 2.9955 3.9535 3.9536 5.0692 5.0704 5.2654 5.2663 5.6166 5.6183 5.9495 5.9511 6.3770 6.3812 6.7073 6.7076 7.0413 7.0440 7.5303 7.5312 8.0315 8.0317 15.9810 15.9826 16.4258 16.4272 17.3582 17.3587 17.8647 17.8681 18.3043 18.3081 k = 0.4074 0.4491 0.4759 ( 2146 PWs) bands (ev): -15.5813 -15.5813 -14.6794 -14.6793 -14.1269 -14.1269 -12.1906 -12.1905 -11.5878 -11.5876 -11.5709 -11.5707 -5.1479 -5.1476 -3.8434 -3.8433 -2.7996 -2.7994 -1.5398 -1.5391 -1.1081 -1.1066 -0.9648 -0.9635 2.4576 2.4586 3.0257 3.0260 3.9187 3.9188 5.0824 5.0836 5.2756 5.2768 5.6166 5.6184 5.9690 5.9707 6.3582 6.3623 6.7034 6.7038 7.0522 7.0547 7.5437 7.5448 8.0038 8.0039 15.9903 15.9920 16.4059 16.4074 17.3420 17.3425 17.8856 17.8892 18.3156 18.3197 k = 0.4012 0.4597 0.4759 ( 2150 PWs) bands (ev): -15.5736 -15.5735 -14.6658 -14.6657 -14.1411 -14.1410 -12.1961 -12.1960 -11.5997 -11.5995 -11.5781 -11.5778 -5.0878 -5.0875 -3.8751 -3.8751 -2.8054 -2.8052 -1.5219 -1.5211 -1.1226 -1.1211 -0.9773 -0.9761 2.4508 2.4516 3.0569 3.0574 3.8827 3.8829 5.0961 5.0976 5.2853 5.2870 5.6168 5.6189 5.9878 5.9896 6.3390 6.3430 6.6994 6.6998 7.0631 7.0654 7.5575 7.5587 7.9758 7.9758 16.0008 16.0026 16.3860 16.3876 17.3262 17.3266 17.9074 17.9111 18.3243 18.3287 k = 0.3951 0.4704 0.4759 ( 2150 PWs) bands (ev): -15.5660 -15.5660 -14.6508 -14.6507 -14.1568 -14.1567 -12.2019 -12.2018 -11.6104 -11.6102 -11.5853 -11.5850 -5.0262 -5.0259 -3.9098 -3.9097 -2.8103 -2.8101 -1.5035 -1.5026 -1.1376 -1.1361 -0.9896 -0.9885 2.4444 2.4452 3.0890 3.0896 3.8457 3.8461 5.1105 5.1121 5.2943 5.2964 5.6173 5.6196 6.0059 6.0078 6.3196 6.3235 6.6953 6.6957 7.0737 7.0759 7.5717 7.5730 7.9478 7.9479 16.0123 16.0142 16.3663 16.3680 17.3109 17.3113 17.9301 17.9339 18.3301 18.3347 k = 0.3889 0.4811 0.4759 ( 2150 PWs) bands (ev): -15.5587 -15.5587 -14.6343 -14.6342 -14.1741 -14.1740 -12.2078 -12.2077 -11.6198 -11.6195 -11.5924 -11.5921 -4.9633 -4.9630 -3.9473 -3.9472 -2.8142 -2.8140 -1.4846 -1.4838 -1.1530 -1.1515 -1.0017 -1.0006 2.4387 2.4393 3.1218 3.1227 3.8079 3.8084 5.1254 5.1272 5.3020 5.3046 5.6184 5.6208 6.0231 6.0251 6.3002 6.3039 6.6911 6.6915 7.0840 7.0859 7.5861 7.5876 7.9202 7.9204 16.0249 16.0269 16.3466 16.3484 17.2963 17.2967 17.9536 17.9575 18.3328 18.3375 k = 0.3827 0.4918 0.4759 ( 2158 PWs) bands (ev): -15.5518 -15.5518 -14.6162 -14.6161 -14.1930 -14.1929 -12.2139 -12.2138 -11.6277 -11.6275 -11.5993 -11.5991 -4.8996 -4.8993 -3.9875 -3.9875 -2.8172 -2.8170 -1.4654 -1.4645 -1.1688 -1.1673 -1.0133 -1.0122 2.4334 2.4340 3.1555 3.1565 3.7693 3.7700 5.1408 5.1427 5.3082 5.3112 5.6199 5.6225 6.0396 6.0416 6.2808 6.2844 6.6868 6.6872 7.0936 7.0954 7.6008 7.6024 7.8931 7.8936 16.0385 16.0406 16.3271 16.3290 17.2825 17.2828 17.9779 17.9820 18.3321 18.3370 k = 0.3765 0.5025 0.4759 ( 2154 PWs) bands (ev): -15.5454 -15.5454 -14.5966 -14.5965 -14.2137 -14.2136 -12.2198 -12.2197 -11.6343 -11.6340 -11.6061 -11.6058 -4.8353 -4.8349 -4.0305 -4.0305 -2.8194 -2.8192 -1.4459 -1.4450 -1.1850 -1.1835 -1.0242 -1.0232 2.4287 2.4292 3.1899 3.1911 3.7301 3.7310 5.1565 5.1587 5.3126 5.3159 5.6221 5.6247 6.0552 6.0573 6.2617 6.2651 6.6825 6.6830 7.1026 7.1041 7.6157 7.6175 7.8670 7.8676 16.0532 16.0554 16.3078 16.3098 17.2697 17.2700 18.0032 18.0073 18.3280 18.3330 k = 0.3704 0.5132 0.4759 ( 2154 PWs) bands (ev): -15.5396 -15.5396 -14.5752 -14.5751 -14.2361 -14.2360 -12.2254 -12.2254 -11.6393 -11.6390 -11.6125 -11.6122 -4.7707 -4.7703 -4.0760 -4.0760 -2.8210 -2.8208 -1.4262 -1.4253 -1.2016 -1.2001 -1.0342 -1.0334 2.4246 2.4249 3.2251 3.2264 3.6905 3.6915 5.1726 5.1750 5.3146 5.3182 5.6247 5.6273 6.0700 6.0722 6.2431 6.2462 6.6783 6.6787 7.1106 7.1119 7.6309 7.6328 7.8420 7.8428 16.0689 16.0711 16.2886 16.2908 17.2580 17.2582 18.0292 18.0334 18.3204 18.3254 k = 0.3642 0.5239 0.4759 ( 2166 PWs) bands (ev): -15.5345 -15.5345 -14.5521 -14.5520 -14.2603 -14.2603 -12.2307 -12.2306 -11.6429 -11.6427 -11.6186 -11.6183 -4.7062 -4.7058 -4.1240 -4.1239 -2.8220 -2.8218 -1.4063 -1.4054 -1.2185 -1.2171 -1.0431 -1.0424 2.4210 2.4212 3.2610 3.2624 3.6505 3.6517 5.1889 5.1915 5.3141 5.3180 5.6278 5.6301 6.0842 6.0863 6.2250 6.2279 6.6743 6.6746 7.1175 7.1186 7.6462 7.6482 7.8182 7.8193 16.0853 16.0877 16.2696 16.2718 17.2474 17.2477 18.0560 18.0603 18.3092 18.3142 k = 0.3580 0.5346 0.4759 ( 2162 PWs) bands (ev): -15.5302 -15.5302 -14.5271 -14.5270 -14.2863 -14.2863 -12.2353 -12.2352 -11.6452 -11.6449 -11.6243 -11.6240 -4.6421 -4.6417 -4.1742 -4.1741 -2.8225 -2.8224 -1.3864 -1.3855 -1.2357 -1.2344 -1.0508 -1.0502 2.4180 2.4182 3.2976 3.2991 3.6104 3.6117 5.2053 5.2082 5.3110 5.3150 5.6311 5.6331 6.0978 6.0998 6.2076 6.2103 6.6705 6.6709 7.1234 7.1242 7.6616 7.6638 7.7960 7.7974 16.1026 16.1051 16.2507 16.2531 17.2384 17.2386 18.0835 18.0880 18.2944 18.2995 k = 0.3519 0.5453 0.4759 ( 2174 PWs) bands (ev): -15.5268 -15.5267 -14.5002 -14.5001 -14.3141 -14.3141 -12.2391 -12.2390 -11.6461 -11.6458 -11.6295 -11.6292 -4.5786 -4.5783 -4.2266 -4.2265 -2.8227 -2.8227 -1.3666 -1.3656 -1.2533 -1.2521 -1.0570 -1.0566 2.4156 2.4157 3.3348 3.3364 3.5701 3.5716 5.2217 5.2249 5.3050 5.3091 5.6343 5.6359 6.1109 6.1129 6.1911 6.1936 6.6672 6.6675 7.1280 7.1286 7.6770 7.6793 7.7752 7.7769 16.1205 16.1230 16.2319 16.2344 17.2311 17.2312 18.1117 18.1163 18.2761 18.2811 k = 0.3457 0.5560 0.4759 ( 2174 PWs) bands (ev): -15.5242 -15.5242 -14.4714 -14.4714 -14.3437 -14.3436 -12.2420 -12.2419 -11.6457 -11.6454 -11.6342 -11.6338 -4.5162 -4.5159 -4.2810 -4.2808 -2.8228 -2.8227 -1.3469 -1.3459 -1.2712 -1.2701 -1.0616 -1.0613 2.4138 2.4139 3.3727 3.3743 3.5299 3.5317 5.2381 5.2415 5.2963 5.3004 5.6370 5.6382 6.1237 6.1256 6.1758 6.1779 6.6647 6.6648 7.1314 7.1318 7.6923 7.6949 7.7562 7.7581 16.1388 16.1414 16.2133 16.2159 17.2256 17.2257 18.1406 18.1453 18.2543 18.2592 k = 0.3395 0.5667 0.4759 ( 2178 PWs) bands (ev): -15.5227 -15.5227 -14.4407 -14.4406 -14.3750 -14.3749 -12.2438 -12.2437 -11.6442 -11.6439 -11.6382 -11.6379 -4.4550 -4.4547 -4.3373 -4.3371 -2.8227 -2.8227 -1.3275 -1.3264 -1.2894 -1.2884 -1.0644 -1.0643 2.4127 2.4128 3.4111 3.4127 3.4900 3.4920 5.2542 5.2578 5.2847 5.2888 5.6391 5.6397 6.1362 6.1380 6.1616 6.1634 6.6629 6.6630 7.1334 7.1336 7.7075 7.7103 7.7387 7.7410 16.1573 16.1601 16.1947 16.1973 17.2221 17.2222 18.1701 18.1749 18.2291 18.2339 k = 0.3333 0.5774 0.4759 ( 2178 PWs) bands (ev): -15.5222 -15.5222 -14.4081 -14.4080 -14.4077 -14.4077 -12.2444 -12.2444 -11.6418 -11.6415 -11.6415 -11.6411 -4.3956 -4.3956 -4.3951 -4.3945 -2.8227 -2.8227 -1.3111 -1.3091 -1.3054 -1.3054 -1.0653 -1.0653 2.4124 2.4124 3.4465 3.4465 3.4540 3.4578 5.2684 5.2720 5.2720 5.2763 5.6400 5.6400 6.1468 6.1500 6.1506 6.1506 6.6623 6.6623 7.1342 7.1342 7.7206 7.7248 7.7248 7.7261 16.1741 16.1778 16.1778 16.1798 17.2209 17.2209 18.1971 18.2035 18.2035 18.2067 k = 0.3333 0.5774 0.4759 ( 2178 PWs) bands (ev): -15.5222 -15.5222 -14.4081 -14.4080 -14.4077 -14.4077 -12.2444 -12.2444 -11.6418 -11.6415 -11.6415 -11.6411 -4.3956 -4.3956 -4.3951 -4.3945 -2.8227 -2.8227 -1.3111 -1.3091 -1.3054 -1.3054 -1.0653 -1.0653 2.4124 2.4124 3.4465 3.4465 3.4540 3.4578 5.2684 5.2720 5.2720 5.2763 5.6400 5.6400 6.1468 6.1500 6.1506 6.1506 6.6623 6.6623 7.1342 7.1342 7.7206 7.7248 7.7248 7.7261 16.1741 16.1778 16.1778 16.1798 17.2209 17.2209 18.1971 18.2035 18.2035 18.2067 k = 0.3270 0.5665 0.4759 ( 2178 PWs) bands (ev): -15.5227 -15.5227 -14.4431 -14.4430 -14.3725 -14.3724 -12.2437 -12.2437 -11.6445 -11.6441 -11.6380 -11.6376 -4.4561 -4.4558 -4.3363 -4.3361 -2.8227 -2.8227 -1.3278 -1.3267 -1.2892 -1.2883 -1.0644 -1.0642 2.4128 2.4128 3.4103 3.4121 3.4907 3.4928 5.2527 5.2564 5.2860 5.2903 5.6390 5.6396 6.1370 6.1385 6.1613 6.1626 6.6630 6.6631 7.1334 7.1336 7.7080 7.7112 7.7378 7.7405 16.1569 16.1599 16.1948 16.1976 17.2222 17.2223 18.1676 18.1724 18.2316 18.2363 k = 0.3208 0.5556 0.4759 ( 2178 PWs) bands (ev): -15.5244 -15.5244 -14.4798 -14.4798 -14.3350 -14.3349 -12.2417 -12.2416 -11.6465 -11.6461 -11.6335 -11.6331 -4.5185 -4.5181 -4.2793 -4.2791 -2.8230 -2.8229 -1.3473 -1.3463 -1.2712 -1.2701 -1.0613 -1.0610 2.4140 2.4141 3.3713 3.3733 3.5314 3.5334 5.2326 5.2362 5.3011 5.3056 5.6363 5.6376 6.1273 6.1283 6.1735 6.1748 6.6654 6.6656 7.1313 7.1317 7.6949 7.6984 7.7522 7.7551 16.1379 16.1410 16.2130 16.2160 17.2263 17.2264 18.1318 18.1364 18.2630 18.2679 k = 0.3145 0.5447 0.4759 ( 2170 PWs) bands (ev): -15.5271 -15.5271 -14.5180 -14.5180 -14.2954 -14.2954 -12.2382 -12.2381 -11.6477 -11.6474 -11.6281 -11.6277 -4.5823 -4.5819 -4.2245 -4.2243 -2.8235 -2.8234 -1.3671 -1.3662 -1.2540 -1.2529 -1.0561 -1.0556 2.4163 2.4163 3.3332 3.3353 3.5726 3.5745 5.2099 5.2133 5.3155 5.3203 5.6319 5.6339 6.1195 6.1201 6.1854 6.1867 6.6697 6.6699 7.1280 7.1286 7.6831 7.6870 7.7661 7.7691 16.1188 16.1220 16.2305 16.2336 17.2334 17.2335 18.0929 18.0973 18.2949 18.2998 k = 0.3082 0.5338 0.4759 ( 2166 PWs) bands (ev): -15.5310 -15.5310 -14.5575 -14.5575 -14.2538 -14.2538 -12.2332 -12.2331 -11.6482 -11.6478 -11.6219 -11.6215 -4.6474 -4.6470 -4.1721 -4.1719 -2.8243 -2.8242 -1.3871 -1.3864 -1.2378 -1.2367 -1.0488 -1.0481 2.4195 2.4196 3.2962 3.2984 3.6141 3.6160 5.1847 5.1880 5.3291 5.3342 5.6259 5.6284 6.1136 6.1139 6.1969 6.1982 6.6760 6.6763 7.1235 7.1243 7.6726 7.6767 7.7792 7.7824 16.0996 16.1029 16.2470 16.2502 17.2436 17.2438 18.0509 18.0552 18.3270 18.3320 k = 0.3019 0.5229 0.4759 ( 2166 PWs) bands (ev): -15.5359 -15.5359 -14.5983 -14.5982 -14.2102 -14.2102 -12.2268 -12.2267 -11.6478 -11.6474 -11.6151 -11.6147 -4.7138 -4.7134 -4.1221 -4.1220 -2.8255 -2.8253 -1.4073 -1.4067 -1.2230 -1.2219 -1.0395 -1.0387 2.4239 2.4240 3.2605 3.2629 3.6559 3.6578 5.1572 5.1603 5.3418 5.3471 5.6183 5.6213 6.1097 6.1099 6.2077 6.2091 6.6845 6.6848 7.1179 7.1188 7.6630 7.6675 7.7916 7.7948 16.0803 16.0837 16.2623 16.2655 17.2570 17.2572 18.0061 18.0103 18.3591 18.3641 k = 0.2956 0.5120 0.4759 ( 2162 PWs) bands (ev): -15.5419 -15.5419 -14.6401 -14.6401 -14.1646 -14.1646 -12.2190 -12.2189 -11.6465 -11.6461 -11.6078 -11.6073 -4.7813 -4.7809 -4.0747 -4.0746 -2.8270 -2.8268 -1.4277 -1.4271 -1.2097 -1.2085 -1.0282 -1.0273 2.4295 2.4295 3.2265 3.2289 3.6980 3.6998 5.1276 5.1304 5.3534 5.3590 5.6091 5.6126 6.1078 6.1083 6.2179 6.2193 6.6953 6.6955 7.1112 7.1123 7.6544 7.6592 7.8030 7.8064 16.0609 16.0645 16.2762 16.2795 17.2737 17.2740 17.9586 17.9627 18.3913 18.3964 k = 0.2893 0.5011 0.4759 ( 2158 PWs) bands (ev): -15.5490 -15.5489 -14.6828 -14.6828 -14.1171 -14.1171 -12.2097 -12.2096 -11.6444 -11.6440 -11.5999 -11.5994 -4.8499 -4.8495 -4.0299 -4.0298 -2.8290 -2.8287 -1.4481 -1.4476 -1.1980 -1.1968 -1.0152 -1.0141 2.4364 2.4364 3.1943 3.1968 3.7402 3.7419 5.0959 5.0986 5.3640 5.3697 5.5985 5.6025 6.1081 6.1090 6.2272 6.2288 6.7082 6.7084 7.1036 7.1049 7.6465 7.6517 7.8134 7.8169 16.0414 16.0451 16.2886 16.2919 17.2936 17.2939 17.9087 17.9127 18.4233 18.4284 k = 0.2830 0.4902 0.4759 ( 2150 PWs) bands (ev): -15.5570 -15.5569 -14.7264 -14.7264 -14.0676 -14.0676 -12.1991 -12.1990 -11.6414 -11.6410 -11.5915 -11.5911 -4.9195 -4.9190 -3.9876 -3.9876 -2.8313 -2.8310 -1.4686 -1.4681 -1.1883 -1.1870 -1.0007 -0.9995 2.4447 2.4448 3.1641 3.1666 3.7825 3.7841 5.0625 5.0650 5.3734 5.3794 5.5867 5.5911 6.1106 6.1119 6.2356 6.2373 6.7231 6.7233 7.0952 7.0967 7.6393 7.6448 7.8228 7.8263 16.0218 16.0257 16.2994 16.3027 17.3167 17.3171 17.8565 17.8605 18.4552 18.4602 k = 0.2767 0.4793 0.4759 ( 2150 PWs) bands (ev): -15.5659 -15.5659 -14.7706 -14.7706 -14.0164 -14.0164 -12.1872 -12.1871 -11.6375 -11.6371 -11.5828 -11.5823 -4.9900 -4.9895 -3.9480 -3.9479 -2.8341 -2.8337 -1.4890 -1.4886 -1.1807 -1.1793 -0.9849 -0.9835 2.4546 2.4546 3.1363 3.1388 3.8249 3.8262 5.0275 5.0298 5.3817 5.3878 5.5737 5.5784 6.1154 6.1170 6.2430 6.2450 6.7398 6.7400 7.0860 7.0877 7.6326 7.6384 7.8310 7.8346 16.0022 16.0062 16.3085 16.3118 17.3428 17.3431 17.8024 17.8063 18.4865 18.4916 k = 0.2704 0.4684 0.4759 ( 2150 PWs) bands (ev): -15.5758 -15.5757 -14.8154 -14.8154 -13.9634 -13.9633 -12.1741 -12.1739 -11.6327 -11.6323 -11.5738 -11.5733 -5.0614 -5.0608 -3.9108 -3.9108 -2.8372 -2.8368 -1.5095 -1.5091 -1.1753 -1.1739 -0.9680 -0.9664 2.4661 2.4661 3.1110 3.1136 3.8671 3.8683 4.9912 4.9932 5.3888 5.3951 5.5597 5.5647 6.1222 6.1242 6.2496 6.2518 6.7580 6.7582 7.0763 7.0781 7.6264 7.6325 7.8379 7.8416 15.9825 15.9866 16.3160 16.3193 17.3715 17.3718 17.7464 17.7503 18.5174 18.5224 k = 0.2642 0.4575 0.4759 ( 2150 PWs) bands (ev): -15.5864 -15.5864 -14.8605 -14.8605 -13.9086 -13.9086 -12.1598 -12.1596 -11.6271 -11.6267 -11.5645 -11.5640 -5.1335 -5.1329 -3.8760 -3.8760 -2.8407 -2.8403 -1.5298 -1.5295 -1.1725 -1.1710 -0.9503 -0.9486 2.4794 2.4794 3.0886 3.0911 3.9092 3.9102 4.9537 4.9556 5.3949 5.4012 5.5448 5.5500 6.1311 6.1334 6.2553 6.2577 6.7775 6.7777 7.0660 7.0680 7.6206 7.6270 7.8437 7.8474 15.9629 15.9671 16.3218 16.3251 17.4026 17.4029 17.6890 17.6928 18.5475 18.5525 k = 0.2579 0.4466 0.4759 ( 2142 PWs) bands (ev): -15.5978 -15.5978 -14.9060 -14.9060 -13.8522 -13.8521 -12.1444 -12.1443 -11.6206 -11.6202 -11.5550 -11.5544 -5.2063 -5.2057 -3.8435 -3.8435 -2.8446 -2.8442 -1.5500 -1.5498 -1.1723 -1.1708 -0.9322 -0.9304 2.4945 2.4946 3.0691 3.0717 3.9510 3.9518 4.9154 4.9171 5.4000 5.4064 5.5289 5.5344 6.1419 6.1445 6.2604 6.2630 6.7978 6.7980 7.0554 7.0575 7.6152 7.6219 7.8482 7.8520 15.9433 15.9476 16.3262 16.3295 17.4357 17.4360 17.6302 17.6340 18.5767 18.5817 k = 0.2516 0.4357 0.4759 ( 2140 PWs) bands (ev): -15.6100 -15.6099 -14.9516 -14.9516 -13.7941 -13.7941 -12.1281 -12.1279 -11.6134 -11.6129 -11.5453 -11.5448 -5.2798 -5.2792 -3.8132 -3.8131 -2.8489 -2.8484 -1.5701 -1.5699 -1.1750 -1.1734 -0.9140 -0.9121 2.5117 2.5118 3.0529 3.0554 3.9925 3.9931 4.8764 4.8779 5.4043 5.4107 5.5122 5.5178 6.1543 6.1571 6.2649 6.2677 6.8185 6.8187 7.0445 7.0468 7.6102 7.6171 7.8514 7.8552 15.9238 15.9283 16.3293 16.3325 17.4703 17.4707 17.5704 17.5742 18.6048 18.6096 k = 0.2453 0.4248 0.4759 ( 2144 PWs) bands (ev): -15.6228 -15.6227 -14.9972 -14.9972 -13.7345 -13.7345 -12.1108 -12.1106 -11.6053 -11.6048 -11.5355 -11.5349 -5.3539 -5.3533 -3.7847 -3.7846 -2.8535 -2.8529 -1.5900 -1.5899 -1.1805 -1.1789 -0.8960 -0.8939 2.5309 2.5311 3.0401 3.0426 4.0336 4.0339 4.8369 4.8383 5.4078 5.4141 5.4947 5.5004 6.1680 6.1712 6.2689 6.2720 6.8393 6.8396 7.0335 7.0359 7.6054 7.6126 7.8533 7.8572 15.9044 15.9089 16.3310 16.3341 17.5056 17.5059 17.5103 17.5141 18.6316 18.6363 k = 0.2390 0.4139 0.4759 ( 2144 PWs) bands (ev): -15.6362 -15.6361 -15.0427 -15.0427 -13.6735 -13.6734 -12.0927 -12.0924 -11.5964 -11.5960 -11.5256 -11.5251 -5.4286 -5.4280 -3.7581 -3.7580 -2.8583 -2.8577 -1.6097 -1.6097 -1.1891 -1.1873 -0.8785 -0.8763 2.5523 2.5526 3.0309 3.0333 4.0741 4.0742 4.7972 4.7984 5.4106 5.4169 5.4763 5.4820 6.1830 6.1864 6.2727 6.2759 6.8598 6.8601 7.0225 7.0251 7.6011 7.6085 7.8540 7.8579 15.8851 15.8898 16.3317 16.3348 17.4485 17.4522 17.5427 17.5432 18.6568 18.6613 k = 0.2327 0.4031 0.4759 ( 2140 PWs) bands (ev): -15.6501 -15.6500 -15.0881 -15.0881 -13.6110 -13.6109 -12.0738 -12.0735 -11.5868 -11.5864 -11.5157 -11.5151 -5.5038 -5.5031 -3.7330 -3.7329 -2.8634 -2.8628 -1.6293 -1.6292 -1.2006 -1.1989 -0.8618 -0.8595 2.5760 2.5763 3.0255 3.0278 4.1138 4.1140 4.7574 4.7585 5.4129 5.4191 5.4570 5.4628 6.1988 6.2026 6.2763 6.2798 6.8797 6.8801 7.0117 7.0144 7.5972 7.6048 7.8535 7.8575 15.8661 15.8709 16.3315 16.3344 17.3869 17.3906 17.5795 17.5800 18.6802 18.6846 k = 0.2264 0.3922 0.4759 ( 2144 PWs) bands (ev): -15.6645 -15.6645 -15.1332 -15.1332 -13.5472 -13.5471 -12.0543 -12.0540 -11.5766 -11.5761 -11.5058 -11.5052 -5.5794 -5.5787 -3.7094 -3.7092 -2.8688 -2.8681 -1.6486 -1.6485 -1.2153 -1.2135 -0.8463 -0.8438 2.6020 2.6023 3.0238 3.0260 4.1527 4.1532 4.7178 4.7187 5.4148 5.4209 5.4369 5.4427 6.2152 6.2193 6.2798 6.2835 6.8987 6.8991 7.0012 7.0041 7.5936 7.6014 7.8519 7.8559 15.8472 15.8521 16.3304 16.3332 17.3251 17.3289 17.6162 17.6166 18.7016 18.7059 k = 0.2201 0.3813 0.4759 ( 2148 PWs) bands (ev): -15.6793 -15.6793 -15.1779 -15.1779 -13.4822 -13.4821 -12.0342 -12.0339 -11.5657 -11.5652 -11.4959 -11.4953 -5.6555 -5.6548 -3.6869 -3.6867 -2.8744 -2.8736 -1.6678 -1.6676 -1.2330 -1.2311 -0.8321 -0.8295 2.6304 2.6308 3.0260 3.0281 4.1908 4.1916 4.6785 4.6792 5.4143 5.4180 5.4206 5.4235 6.2319 6.2363 6.2834 6.2874 6.9164 6.9169 6.9912 6.9942 7.5905 7.5984 7.8492 7.8531 15.8286 15.8336 16.3286 16.3313 17.2634 17.2672 17.6523 17.6527 18.7208 18.7249 k = 0.2138 0.3704 0.4759 ( 2154 PWs) bands (ev): -15.6945 -15.6944 -15.2221 -15.2221 -13.4159 -13.4158 -12.0135 -12.0132 -11.5541 -11.5537 -11.4861 -11.4855 -5.7319 -5.7312 -3.6655 -3.6653 -2.8801 -2.8793 -1.6867 -1.6864 -1.2537 -1.2517 -0.8195 -0.8169 2.6611 2.6616 3.0321 3.0341 4.2279 4.2290 4.6396 4.6402 5.3936 5.3995 5.4182 5.4239 6.2486 6.2533 6.2871 6.2914 6.9327 6.9332 6.9818 6.9849 7.5878 7.5959 7.8455 7.8494 15.8103 15.8153 16.3262 16.3288 17.2021 17.2059 17.6875 17.6879 18.7377 18.7415 k = 0.2075 0.3595 0.4759 ( 2150 PWs) bands (ev): -15.7099 -15.7098 -15.2658 -15.2658 -13.3486 -13.3484 -11.9925 -11.9922 -11.5421 -11.5416 -11.4764 -11.4758 -5.8086 -5.8079 -3.6448 -3.6446 -2.8859 -2.8850 -1.7054 -1.7050 -1.2773 -1.2752 -0.8088 -0.8060 2.6942 2.6948 3.0420 3.0440 4.2640 4.2655 4.6013 4.6017 5.3708 5.3766 5.4196 5.4252 6.2649 6.2700 6.2912 6.2958 6.9474 6.9478 6.9732 6.9765 7.5856 7.5938 7.8410 7.8448 15.7922 15.7974 16.3234 16.3259 17.1414 17.1451 17.7215 17.7219 18.7520 18.7556 k = 0.2013 0.3486 0.4759 ( 2150 PWs) bands (ev): -15.7256 -15.7255 -15.3088 -15.3088 -13.2802 -13.2800 -11.9711 -11.9708 -11.5295 -11.5291 -11.4668 -11.4662 -5.8856 -5.8849 -3.6249 -3.6247 -2.8919 -2.8909 -1.7238 -1.7234 -1.3036 -1.3015 -0.8001 -0.7972 2.7297 2.7303 3.0558 3.0576 4.2990 4.3008 4.5637 4.5640 5.3471 5.3528 5.4210 5.4264 6.2805 6.2860 6.2957 6.3007 6.9594 6.9596 6.9662 6.9698 7.5838 7.5920 7.8356 7.8394 15.7744 15.7796 16.3202 16.3226 17.0814 17.0852 17.7540 17.7545 18.7637 18.7671 k = 0.1950 0.3377 0.4759 ( 2152 PWs) bands (ev): -15.7414 -15.7413 -15.3511 -15.3511 -13.2108 -13.2107 -11.9495 -11.9491 -11.5165 -11.5160 -11.4573 -11.4567 -5.9629 -5.9621 -3.6054 -3.6052 -2.8979 -2.8969 -1.7421 -1.7415 -1.3325 -1.3303 -0.7935 -0.7905 2.7675 2.7682 3.0733 3.0750 4.3327 4.3350 4.5269 4.5271 5.3225 5.3281 5.4224 5.4277 6.2943 6.2981 6.3036 6.3068 6.9577 6.9601 6.9722 6.9736 7.5824 7.5906 7.8295 7.8332 15.7569 15.7622 16.3167 16.3189 17.0224 17.0262 17.7849 17.7853 18.7727 18.7758 k = 0.1887 0.3268 0.4759 ( 2152 PWs) bands (ev): -15.7573 -15.7572 -15.3926 -15.3926 -13.1407 -13.1405 -11.9277 -11.9273 -11.5031 -11.5026 -11.4481 -11.4475 -6.0402 -6.0395 -3.5862 -3.5860 -2.9039 -2.9029 -1.7601 -1.7595 -1.3638 -1.3616 -0.7890 -0.7860 2.8074 2.8082 3.0943 3.0960 4.3652 4.3678 4.4910 4.4911 5.2971 5.3025 5.4240 5.4290 6.3039 6.3048 6.3156 6.3170 6.9521 6.9549 6.9812 6.9821 7.5812 7.5895 7.8229 7.8265 15.7396 15.7449 16.3130 16.3151 16.9647 16.9684 17.8139 17.8144 18.7790 18.7819 k = 0.1824 0.3159 0.4759 ( 2160 PWs) bands (ev): -15.7732 -15.7731 -15.4332 -15.4332 -13.0697 -13.0696 -11.9057 -11.9054 -11.4893 -11.4889 -11.4391 -11.4384 -6.1177 -6.1170 -3.5673 -3.5671 -2.9100 -2.9089 -1.7779 -1.7773 -1.3972 -1.3950 -0.7868 -0.7837 2.8495 2.8504 3.1188 3.1204 4.3964 4.3992 4.4562 4.4562 5.2708 5.2761 5.4257 5.4305 6.3092 6.3120 6.3267 6.3301 6.9475 6.9504 6.9885 6.9892 7.5802 7.5884 7.8159 7.8194 15.7226 15.7279 16.3091 16.3111 16.9084 16.9121 17.8409 17.8414 18.7827 18.7854 k = 0.1761 0.3050 0.4759 ( 2160 PWs) bands (ev): -15.7891 -15.7891 -15.4730 -15.4730 -12.9982 -12.9980 -11.8837 -11.8834 -11.4753 -11.4749 -11.4303 -11.4296 -6.1952 -6.1945 -3.5484 -3.5482 -2.9160 -2.9149 -1.7956 -1.7949 -1.4326 -1.4303 -0.7869 -0.7837 2.8936 2.8945 3.1466 3.1480 4.4208 4.4214 4.4271 4.4307 5.2439 5.2490 5.4275 5.4322 6.3147 6.3182 6.3377 6.3418 6.9441 6.9469 6.9941 6.9947 7.5793 7.5874 7.8085 7.8119 15.7058 15.7111 16.3052 16.3071 16.8537 16.8574 17.8660 17.8665 18.7840 18.7865 k = 0.1698 0.2941 0.4759 ( 2160 PWs) bands (ev): -15.8050 -15.8049 -15.5118 -15.5117 -12.9260 -12.9259 -11.8618 -11.8614 -11.4611 -11.4607 -11.4217 -11.4211 -6.2727 -6.2720 -3.5294 -3.5292 -2.9220 -2.9209 -1.8132 -1.8123 -1.4696 -1.4673 -0.7892 -0.7859 2.9394 2.9405 3.1773 3.1786 4.3891 4.3896 4.4546 4.4583 5.2163 5.2213 5.4294 5.4339 6.3204 6.3243 6.3476 6.3521 6.9419 6.9446 6.9979 6.9984 7.5783 7.5862 7.8010 7.8042 15.6891 15.6945 16.3013 16.3030 16.8009 16.8046 17.8890 17.8895 18.7830 18.7853 k = 0.1635 0.2832 0.4759 ( 2160 PWs) bands (ev): -15.8208 -15.8207 -15.5495 -15.5495 -12.8535 -12.8533 -11.8399 -11.8395 -11.4467 -11.4463 -11.4134 -11.4128 -6.3501 -6.3494 -3.5103 -3.5101 -2.9280 -2.9268 -1.8306 -1.8297 -1.5080 -1.5057 -0.7936 -0.7903 2.9870 2.9881 3.2109 3.2120 4.3576 4.3582 4.4813 4.4854 5.1882 5.1930 5.4313 5.4358 6.3262 6.3305 6.3561 6.3608 6.9409 6.9434 7.0003 7.0006 7.5770 7.5848 7.7935 7.7965 15.6726 15.6780 16.2974 16.2990 16.7502 16.7538 17.9101 17.9105 18.7800 18.7822 k = 0.1572 0.2723 0.4759 ( 2156 PWs) bands (ev): -15.8363 -15.8362 -15.5862 -15.5861 -12.7806 -12.7805 -11.8182 -11.8178 -11.4322 -11.4318 -11.4055 -11.4048 -6.4273 -6.4265 -3.4909 -3.4907 -2.9338 -2.9326 -1.8480 -1.8470 -1.5476 -1.5452 -0.8001 -0.7967 3.0360 3.0372 3.2469 3.2479 4.3273 4.3280 4.5066 4.5109 5.1597 5.1643 5.4333 5.4377 6.3322 6.3367 6.3631 6.3680 6.9410 6.9432 7.0013 7.0013 7.5753 7.5829 7.7861 7.7889 15.6562 15.6615 16.2936 16.2951 16.7017 16.7052 17.9292 17.9297 18.7752 18.7772 k = 0.1509 0.2614 0.4759 ( 2156 PWs) bands (ev): -15.8517 -15.8516 -15.6217 -15.6217 -12.7076 -12.7074 -11.7967 -11.7963 -11.4177 -11.4173 -11.3978 -11.3972 -6.5041 -6.5034 -3.4711 -3.4709 -2.9395 -2.9383 -1.8653 -1.8642 -1.5879 -1.5855 -0.8085 -0.8051 3.0863 3.0875 3.2852 3.2861 4.2983 4.2991 4.5304 4.5350 5.1310 5.1354 5.4353 5.4395 6.3382 6.3428 6.3687 6.3735 6.9421 6.9440 7.0009 7.0010 7.5730 7.5804 7.7788 7.7814 15.6398 15.6451 16.2900 16.2913 16.6557 16.6591 17.9465 17.9470 18.7689 18.7707 k = 0.1447 0.2505 0.4759 ( 2160 PWs) bands (ev): -15.8668 -15.8667 -15.6561 -15.6561 -12.6345 -12.6344 -11.7755 -11.7751 -11.4032 -11.4028 -11.3905 -11.3898 -6.5806 -6.5799 -3.4510 -3.4508 -2.9452 -2.9438 -1.8826 -1.8815 -1.6288 -1.6264 -0.8187 -0.8153 3.1376 3.1390 3.3255 3.3262 4.2706 4.2715 4.5526 4.5574 5.1021 5.1062 5.4371 5.4413 6.3442 6.3488 6.3729 6.3776 6.9440 6.9456 6.9995 6.9998 7.5700 7.5772 7.7718 7.7741 15.6235 15.6286 16.2865 16.2877 16.6123 16.6156 17.9621 17.9625 18.7612 18.7630 k = 0.1384 0.2397 0.4759 ( 2162 PWs) bands (ev): -15.8815 -15.8815 -15.6893 -15.6892 -12.5616 -12.5614 -11.7547 -11.7543 -11.3888 -11.3884 -11.3835 -11.3828 -6.6566 -6.6559 -3.4304 -3.4303 -2.9506 -2.9493 -1.9000 -1.8988 -1.6701 -1.6676 -0.8305 -0.8271 3.1898 3.1912 3.3673 3.3678 4.2443 4.2454 4.5733 4.5784 5.0732 5.0771 5.4387 5.4428 6.3499 6.3545 6.3758 6.3803 6.9467 6.9479 6.9973 6.9979 7.5661 7.5731 7.7652 7.7673 15.6071 15.6120 16.2832 16.2844 16.5715 16.5747 17.9761 17.9765 18.7525 18.7541 k = 0.1321 0.2288 0.4759 ( 2162 PWs) bands (ev): -15.8960 -15.8959 -15.7212 -15.7212 -12.4890 -12.4888 -11.7342 -11.7338 -11.3768 -11.3762 -11.3745 -11.3742 -6.7319 -6.7312 -3.4094 -3.4092 -2.9559 -2.9546 -1.9174 -1.9161 -1.7113 -1.7088 -0.8438 -0.8404 3.2426 3.2441 3.4104 3.4108 4.2194 4.2206 4.5926 4.5978 5.0445 5.0482 5.4400 5.4441 6.3553 6.3597 6.3778 6.3819 6.9499 6.9508 6.9946 6.9954 7.5614 7.5681 7.7590 7.7608 15.5905 15.5954 16.2802 16.2813 16.5336 16.5367 17.9886 17.9890 18.7429 18.7445 k = 0.1258 0.2179 0.4759 ( 2164 PWs) bands (ev): -15.9100 -15.9099 -15.7518 -15.7518 -12.4168 -12.4166 -11.7142 -11.7138 -11.3706 -11.3699 -11.3605 -11.3602 -6.8064 -6.8058 -3.3879 -3.3877 -2.9611 -2.9597 -1.9349 -1.9335 -1.7522 -1.7498 -0.8582 -0.8549 3.2957 3.2973 3.4545 3.4547 4.1959 4.1972 4.6105 4.6157 5.0162 5.0197 5.4408 5.4450 6.3603 6.3640 6.3792 6.3824 6.9535 6.9540 6.9915 6.9925 7.5556 7.5620 7.7533 7.7548 15.5740 15.5786 16.2775 16.2785 16.4987 16.5016 17.9999 18.0002 18.7328 18.7343 k = 0.1195 0.2070 0.4759 ( 2164 PWs) bands (ev): -15.9236 -15.9235 -15.7812 -15.7811 -12.3452 -12.3451 -11.6948 -11.6943 -11.3647 -11.3640 -11.3467 -11.3464 -6.8800 -6.8794 -3.3659 -3.3658 -2.9661 -2.9646 -1.9525 -1.9511 -1.7927 -1.7903 -0.8737 -0.8704 3.3490 3.3507 3.4992 3.4992 4.1738 4.1753 4.6269 4.6323 4.9885 4.9917 5.4412 5.4453 6.3646 6.3670 6.3803 6.3821 6.9575 6.9575 6.9884 6.9896 7.5487 7.5549 7.7482 7.7494 15.5573 15.5618 16.2751 16.2760 16.4666 16.4694 18.0099 18.0102 18.7223 18.7237 k = 0.1132 0.1961 0.4759 ( 2164 PWs) bands (ev): -15.9367 -15.9366 -15.8092 -15.8091 -12.2746 -12.2744 -11.6758 -11.6754 -11.3592 -11.3586 -11.3333 -11.3330 -6.9525 -6.9518 -3.3434 -3.3433 -2.9708 -2.9694 -1.9703 -1.9689 -1.8324 -1.8300 -0.8900 -0.8867 3.4021 3.4039 3.5439 3.5441 4.1532 4.1548 4.6421 4.6475 4.9616 4.9645 5.4408 5.4450 6.3679 6.3683 6.3813 6.3818 6.9612 6.9616 6.9854 6.9867 7.5408 7.5467 7.7435 7.7444 15.5406 15.5449 16.2730 16.2738 16.4376 16.4402 18.0189 18.0192 18.7115 18.7128 k = 0.1069 0.1852 0.4759 ( 2164 PWs) bands (ev): -15.9493 -15.9492 -15.8358 -15.8358 -12.2050 -12.2048 -11.6575 -11.6571 -11.3541 -11.3535 -11.3202 -11.3199 -7.0236 -7.0230 -3.3205 -3.3204 -2.9754 -2.9740 -1.9883 -1.9868 -1.8711 -1.8688 -0.9069 -0.9036 3.4549 3.4568 3.5885 3.5889 4.1340 4.1357 4.6560 4.6614 4.9357 4.9383 5.4398 5.4440 6.3680 6.3700 6.3804 6.3835 6.9649 6.9658 6.9827 6.9843 7.5317 7.5374 7.7393 7.7400 15.5239 15.5279 16.2712 16.2719 16.4115 16.4139 18.0269 18.0271 18.7007 18.7019 k = 0.1006 0.1743 0.4759 ( 2168 PWs) bands (ev): -15.9614 -15.9613 -15.8610 -15.8610 -12.1368 -12.1366 -11.6398 -11.6394 -11.3494 -11.3488 -11.3076 -11.3073 -7.0932 -7.0926 -3.2972 -3.2972 -2.9798 -2.9784 -2.0064 -2.0049 -1.9087 -1.9064 -0.9241 -0.9209 3.5070 3.5090 3.6324 3.6331 4.1162 4.1181 4.6687 4.6741 4.9110 4.9134 5.4379 5.4422 6.3664 6.3702 6.3800 6.3850 6.9686 6.9700 6.9808 6.9823 7.5217 7.5270 7.7356 7.7360 15.5072 15.5110 16.2697 16.2703 16.3883 16.3905 18.0340 18.0343 18.6899 18.6910 k = 0.0943 0.1634 0.4759 ( 2168 PWs) bands (ev): -15.9728 -15.9728 -15.8848 -15.8848 -12.0701 -12.0699 -11.6229 -11.6224 -11.3451 -11.3445 -11.2954 -11.2952 -7.1610 -7.1604 -3.2737 -3.2737 -2.9840 -2.9826 -2.0248 -2.0233 -1.9449 -1.9427 -0.9415 -0.9384 3.5583 3.5603 3.6754 3.6763 4.0999 4.1020 4.6804 4.6856 4.8877 4.8898 5.4352 5.4396 6.3642 6.3688 6.3798 6.3858 6.9718 6.9738 6.9799 6.9813 7.5107 7.5158 7.7323 7.7325 15.4906 15.4942 16.2686 16.2691 16.3678 16.3698 18.0404 18.0407 18.6793 18.6803 k = 0.0881 0.1525 0.4759 ( 2156 PWs) bands (ev): -15.9837 -15.9837 -15.9072 -15.9072 -12.0053 -12.0051 -11.6067 -11.6062 -11.3412 -11.3406 -11.2838 -11.2836 -7.2267 -7.2261 -3.2499 -3.2499 -2.9879 -2.9865 -2.0432 -2.0417 -1.9795 -1.9773 -0.9588 -0.9558 3.6083 3.6103 3.7169 3.7182 4.0851 4.0873 4.6911 4.6962 4.8661 4.8679 5.4317 5.4361 6.3614 6.3663 6.3795 6.3858 6.9741 6.9767 6.9809 6.9821 7.4989 7.5036 7.7294 7.7295 15.4743 15.4776 16.2677 16.2682 16.3500 16.3518 18.0462 18.0464 18.6690 18.6699 k = 0.0818 0.1416 0.4759 ( 2166 PWs) bands (ev): -15.9940 -15.9939 -15.9281 -15.9281 -11.9427 -11.9425 -11.5913 -11.5908 -11.3377 -11.3371 -11.2728 -11.2726 -7.2901 -7.2896 -3.2261 -3.2261 -2.9916 -2.9903 -2.0618 -2.0603 -2.0124 -2.0103 -0.9758 -0.9729 3.6569 3.6589 3.7567 3.7582 4.0716 4.0740 4.7008 4.7057 4.8464 4.8478 5.4273 5.4317 6.3584 6.3632 6.3784 6.3848 6.9755 6.9782 6.9837 6.9849 7.4863 7.4907 7.7266 7.7269 15.4583 15.4613 16.2671 16.2675 16.3345 16.3362 18.0513 18.0515 18.6590 18.6598 k = 0.0755 0.1307 0.4759 ( 2162 PWs) bands (ev): -16.0036 -16.0035 -15.9475 -15.9475 -11.8826 -11.8824 -11.5767 -11.5763 -11.3346 -11.3340 -11.2624 -11.2622 -7.3509 -7.3504 -3.2024 -3.2024 -2.9951 -2.9938 -2.0804 -2.0789 -2.0434 -2.0414 -0.9923 -0.9896 3.7037 3.7058 3.7942 3.7961 4.0595 4.0621 4.7096 4.7143 4.8286 4.8298 5.4221 5.4264 6.3552 6.3599 6.3765 6.3828 6.9769 6.9797 6.9873 6.9888 7.4731 7.4772 7.7241 7.7246 15.4428 15.4456 16.2668 16.2672 16.3214 16.3229 18.0558 18.0560 18.6495 18.6503 k = 0.0692 0.1198 0.4759 ( 2160 PWs) bands (ev): -16.0125 -16.0124 -15.9654 -15.9654 -11.8253 -11.8252 -11.5630 -11.5626 -11.3319 -11.3313 -11.2527 -11.2525 -7.4088 -7.4083 -3.1789 -3.1789 -2.9984 -2.9971 -2.0989 -2.0975 -2.0723 -2.0704 -1.0081 -1.0056 3.7485 3.7505 3.8292 3.8314 4.0488 4.0516 4.7177 4.7221 4.8131 4.8139 5.4162 5.4204 6.3520 6.3564 6.3738 6.3799 6.9791 6.9817 6.9912 6.9928 7.4595 7.4633 7.7219 7.7225 15.4280 15.4305 16.2667 16.2670 16.3104 16.3117 18.0599 18.0600 18.6405 18.6413 k = 0.0629 0.1089 0.4759 ( 2160 PWs) bands (ev): -16.0207 -16.0206 -15.9819 -15.9819 -11.7713 -11.7711 -11.5503 -11.5499 -11.3295 -11.3290 -11.2437 -11.2435 -7.4633 -7.4629 -3.1559 -3.1558 -3.0014 -3.0002 -2.1172 -2.1158 -2.0990 -2.0973 -1.0232 -1.0208 3.7909 3.7929 3.8612 3.8638 4.0394 4.0424 4.7250 4.7291 4.7998 4.8004 5.4097 5.4138 6.3487 6.3528 6.3704 6.3761 6.9820 6.9846 6.9951 6.9969 7.4456 7.4491 7.7199 7.7206 15.4139 15.4162 16.2668 16.2671 16.3012 16.3023 18.0634 18.0636 18.6322 18.6329 k = 0.0566 0.0980 0.4759 ( 2164 PWs) bands (ev): -16.0282 -16.0281 -15.9968 -15.9968 -11.7207 -11.7206 -11.5385 -11.5381 -11.3275 -11.3270 -11.2354 -11.2353 -7.5142 -7.5138 -3.1336 -3.1335 -3.0041 -3.0030 -2.1351 -2.1339 -2.1234 -2.1219 -1.0372 -1.0350 3.8306 3.8326 3.8899 3.8931 4.0312 4.0345 4.7316 4.7354 4.7888 4.7892 5.4027 5.4067 6.3455 6.3493 6.3663 6.3716 6.9857 6.9882 6.9991 7.0008 7.4317 7.4349 7.7181 7.7189 15.4007 15.4027 16.2671 16.2673 16.2936 16.2946 18.0665 18.0667 18.6245 18.6251 k = 0.0503 0.0871 0.4759 ( 2168 PWs) bands (ev): -16.0349 -16.0349 -16.0101 -16.0101 -11.6742 -11.6740 -11.5278 -11.5274 -11.3259 -11.3254 -11.2280 -11.2278 -7.5611 -7.5608 -3.1122 -3.1121 -3.0066 -3.0056 -2.1525 -2.1516 -2.1453 -2.1441 -1.0501 -1.0480 3.8673 3.8693 3.9152 3.9189 4.0243 4.0280 4.7376 4.7410 4.7801 4.7802 5.3955 5.3993 6.3425 6.3458 6.3619 6.3667 6.9900 6.9923 7.0030 7.0046 7.4181 7.4210 7.7164 7.7172 15.3885 15.3903 16.2674 16.2676 16.2875 16.2883 18.0692 18.0694 18.6176 18.6181 k = 0.0440 0.0763 0.4759 ( 2168 PWs) bands (ev): -16.0409 -16.0409 -16.0219 -16.0219 -11.6319 -11.6318 -11.5182 -11.5178 -11.3245 -11.3241 -11.2213 -11.2212 -7.6036 -7.6033 -3.0921 -3.0920 -3.0088 -3.0079 -2.1692 -2.1687 -2.1643 -2.1636 -1.0617 -1.0599 3.9007 3.9026 3.9369 3.9411 4.0186 4.0227 4.7429 4.7460 4.7734 4.7735 5.3883 5.3918 6.3396 6.3423 6.3574 6.3615 6.9948 6.9970 7.0068 7.0082 7.4049 7.4075 7.7150 7.7158 15.3775 15.3790 16.2679 16.2681 16.2826 16.2833 18.0716 18.0717 18.6114 18.6118 k = 0.0377 0.0654 0.4759 ( 2166 PWs) bands (ev): -16.0461 -16.0461 -16.0322 -16.0322 -11.5943 -11.5942 -11.5097 -11.5094 -11.3234 -11.3231 -11.2155 -11.2154 -7.6414 -7.6411 -3.0736 -3.0735 -3.0107 -3.0099 -2.1849 -2.1848 -2.1806 -2.1805 -1.0719 -1.0704 3.9304 3.9322 3.9548 3.9597 4.0142 4.0189 4.7476 4.7503 4.7686 4.7687 5.3814 5.3845 6.3369 6.3390 6.3530 6.3564 6.9998 7.0019 7.0103 7.0116 7.3926 7.3948 7.7137 7.7145 15.3677 15.3690 16.2684 16.2685 16.2788 16.2794 18.0735 18.0737 18.6060 18.6064 k = 0.0314 0.0545 0.4759 ( 2170 PWs) bands (ev): -16.0506 -16.0505 -16.0409 -16.0409 -11.5618 -11.5617 -11.5024 -11.5021 -11.3226 -11.3223 -11.2105 -11.2104 -7.6740 -7.6738 -3.0571 -3.0570 -3.0124 -3.0117 -2.1992 -2.1990 -2.1948 -2.1947 -1.0807 -1.0794 3.9560 3.9579 3.9687 3.9745 4.0113 4.0165 4.7517 4.7539 4.7653 4.7656 5.3750 5.3777 6.3343 6.3358 6.3490 6.3516 7.0048 7.0067 7.0135 7.0145 7.3814 7.3832 7.7126 7.7133 15.3593 15.3604 16.2689 16.2690 16.2759 16.2764 18.0752 18.0753 18.6013 18.6016 k = 0.0252 0.0436 0.4759 ( 2178 PWs) bands (ev): -16.0542 -16.0542 -16.0480 -16.0480 -11.5347 -11.5346 -11.4963 -11.4961 -11.3220 -11.3217 -11.2064 -11.2064 -7.7012 -7.7010 -3.0429 -3.0428 -3.0137 -3.0131 -2.2112 -2.2110 -2.2068 -2.2067 -1.0880 -1.0869 3.9765 3.9786 3.9793 3.9859 4.0103 4.0158 4.7551 4.7569 4.7634 4.7637 5.3693 5.3715 6.3320 6.3329 6.3456 6.3474 7.0094 7.0111 7.0164 7.0171 7.3716 7.3730 7.7117 7.7122 15.3523 15.3531 16.2693 16.2694 16.2737 16.2741 18.0765 18.0766 18.5974 18.5976 k = 0.0189 0.0327 0.4759 ( 2178 PWs) bands (ev): -16.0570 -16.0570 -16.0536 -16.0536 -11.5133 -11.5132 -11.4915 -11.4913 -11.3215 -11.3213 -11.2033 -11.2032 -7.7227 -7.7226 -3.0314 -3.0313 -3.0147 -3.0143 -2.2207 -2.2205 -2.2164 -2.2163 -1.0937 -1.0929 3.9850 3.9878 3.9960 3.9974 4.0118 4.0167 4.7578 4.7592 4.7624 4.7627 5.3647 5.3664 6.3299 6.3304 6.3430 6.3441 7.0133 7.0148 7.0189 7.0193 7.3635 7.3647 7.7109 7.7114 15.3468 15.3475 16.2697 16.2698 16.2721 16.2724 18.0775 18.0775 18.5943 18.5944 k = 0.0126 0.0218 0.4759 ( 2170 PWs) bands (ev): -16.0591 -16.0591 -16.0575 -16.0575 -11.4978 -11.4977 -11.4880 -11.4879 -11.3212 -11.3211 -11.2010 -11.2009 -7.7382 -7.7381 -3.0229 -3.0229 -3.0154 -3.0151 -2.2276 -2.2275 -2.2233 -2.2233 -1.0977 -1.0972 3.9885 3.9908 4.0078 4.0084 4.0150 4.0185 4.7598 4.7608 4.7620 4.7623 5.3613 5.3625 6.3283 6.3284 6.3411 6.3417 7.0163 7.0174 7.0210 7.0211 7.3576 7.3584 7.7104 7.7108 15.3429 15.3433 16.2700 16.2701 16.2711 16.2713 18.0782 18.0782 18.5918 18.5918 k = 0.0063 0.0109 0.4759 ( 2174 PWs) bands (ev): -16.0603 -16.0603 -16.0599 -16.0599 -11.4884 -11.4884 -11.4859 -11.4858 -11.3210 -11.3209 -11.1996 -11.1996 -7.7476 -7.7476 -3.0178 -3.0177 -3.0158 -3.0156 -2.2318 -2.2318 -2.2276 -2.2276 -1.1001 -1.0998 3.9902 3.9914 4.0143 4.0145 4.0189 4.0205 4.7610 4.7615 4.7621 4.7622 5.3593 5.3599 6.3272 6.3272 6.3400 6.3402 7.0182 7.0188 7.0223 7.0223 7.3540 7.3544 7.7102 7.7103 15.3406 15.3408 16.2701 16.2702 16.2706 16.2707 18.0786 18.0786 18.5898 18.5899 k = 0.0000 0.0000 0.4759 ( 2166 PWs) bands (ev): -16.0608 -16.0608 -16.0606 -16.0606 -11.4856 -11.4856 -11.4849 -11.4849 -11.3209 -11.3209 -11.1991 -11.1991 -7.7507 -7.7507 -3.0163 -3.0163 -3.0156 -3.0156 -2.2332 -2.2332 -2.2290 -2.2290 -1.1008 -1.1008 3.9911 3.9911 4.0161 4.0161 4.0212 4.0212 4.7615 4.7615 4.7623 4.7623 5.3588 5.3588 6.3268 6.3268 6.3397 6.3397 7.0190 7.0190 7.0228 7.0228 7.3530 7.3530 7.7101 7.7101 15.3399 15.3399 16.2702 16.2702 16.2705 16.2705 18.0788 18.0788 18.5891 18.5891 k = 0.5000 0.2887 0.4759 ( 2148 PWs) bands (ev): -15.6563 -15.6563 -14.7648 -14.7648 -14.0432 -14.0432 -12.1575 -12.1575 -11.5045 -11.5045 -11.4294 -11.4294 -5.6550 -5.6550 -3.6560 -3.6560 -2.6911 -2.6911 -1.6972 -1.6972 -0.9895 -0.9895 -0.8457 -0.8457 2.6017 2.6017 2.6987 2.6987 4.2274 4.2274 4.9751 4.9751 5.1829 5.1829 5.6280 5.6280 5.7393 5.7393 6.5257 6.5257 6.7391 6.7391 6.9612 6.9612 7.4156 7.4156 8.2607 8.2607 15.9319 15.9319 16.6123 16.6123 17.5434 17.5434 17.6761 17.6761 18.1182 18.1182 k = 0.5000 0.2887 0.4634 ( 2146 PWs) bands (ev): -15.6573 -15.6573 -14.7654 -14.7654 -14.0416 -14.0416 -12.1566 -12.1566 -11.5066 -11.5064 -11.4275 -11.4273 -5.6552 -5.6551 -3.6576 -3.6575 -2.6908 -2.6907 -1.6982 -1.6979 -0.9880 -0.9877 -0.8466 -0.8465 2.6024 2.6025 2.6993 2.6996 4.2258 4.2264 4.9462 4.9487 5.2084 5.2113 5.6260 5.6267 5.7361 5.7373 6.5269 6.5282 6.7349 6.7390 6.9653 6.9674 7.4165 7.4178 8.2600 8.2604 15.9325 15.9328 16.6128 16.6131 17.5388 17.5394 17.6761 17.6761 18.1218 18.1227 k = 0.5000 0.2887 0.4509 ( 2154 PWs) bands (ev): -15.6600 -15.6600 -14.7674 -14.7673 -14.0369 -14.0368 -12.1540 -12.1540 -11.5121 -11.5117 -11.4223 -11.4219 -5.6556 -5.6555 -3.6621 -3.6620 -2.6899 -2.6897 -1.7008 -1.7002 -0.9833 -0.9826 -0.8492 -0.8491 2.6046 2.6048 2.7012 2.7018 4.2216 4.2227 4.8854 4.8887 5.2656 5.2697 5.6206 5.6221 5.7289 5.7312 6.5299 6.5325 6.7292 6.7372 6.9783 6.9821 7.4205 7.4230 8.2582 8.2591 15.9346 15.9351 16.6145 16.6150 17.5258 17.5270 17.6762 17.6763 18.1333 18.1350 k = 0.5000 0.2887 0.4383 ( 2154 PWs) bands (ev): -15.6646 -15.6646 -14.7705 -14.7705 -14.0292 -14.0291 -12.1497 -12.1496 -11.5197 -11.5193 -11.4147 -11.4143 -5.6563 -5.6561 -3.6697 -3.6695 -2.6884 -2.6880 -1.7048 -1.7039 -0.9756 -0.9746 -0.8535 -0.8533 2.6083 2.6085 2.7045 2.7054 4.2148 4.2165 4.8140 4.8176 5.3306 5.3353 5.6116 5.6143 5.7208 5.7236 6.5295 6.5332 6.7294 6.7404 6.9972 7.0022 7.4276 7.4313 8.2555 8.2568 15.9381 15.9388 16.6174 16.6181 17.5054 17.5071 17.6767 17.6769 18.1514 18.1538 k = 0.5000 0.2887 0.4258 ( 2150 PWs) bands (ev): -15.6709 -15.6709 -14.7749 -14.7749 -14.0185 -14.0184 -12.1437 -12.1436 -11.5286 -11.5280 -11.4059 -11.4054 -5.6572 -5.6570 -3.6802 -3.6800 -2.6862 -2.6856 -1.7101 -1.7090 -0.9653 -0.9639 -0.8592 -0.8590 2.6133 2.6136 2.7094 2.7105 4.2055 4.2077 4.7391 4.7428 5.3910 5.3961 5.6024 5.6066 5.7148 5.7176 6.5210 6.5251 6.7420 6.7548 7.0191 7.0249 7.4379 7.4426 8.2519 8.2537 15.9430 15.9440 16.6215 16.6223 17.4790 17.4810 17.6779 17.6781 18.1748 18.1778 k = 0.5000 0.2887 0.4133 ( 2152 PWs) bands (ev): -15.6788 -15.6788 -14.7803 -14.7803 -14.0050 -14.0049 -12.1361 -12.1360 -11.5379 -11.5373 -11.3966 -11.3961 -5.6584 -5.6581 -3.6936 -3.6934 -2.6832 -2.6825 -1.7165 -1.7151 -0.9530 -0.9514 -0.8659 -0.8657 2.6195 2.6198 2.7158 2.7172 4.1938 4.1965 4.6630 4.6667 5.4313 5.4369 5.6055 5.6113 5.7125 5.7153 6.5031 6.5069 6.7681 6.7817 7.0420 7.0486 7.4512 7.4568 8.2476 8.2498 15.9495 15.9507 16.6266 16.6277 17.4478 17.4501 17.6797 17.6801 18.2020 18.2054 k = 0.5000 0.2887 0.4008 ( 2156 PWs) bands (ev): -15.6882 -15.6882 -14.7868 -14.7868 -13.9890 -13.9888 -12.1269 -12.1268 -11.5473 -11.5467 -11.3872 -11.3866 -5.6598 -5.6595 -3.7099 -3.7096 -2.6794 -2.6786 -1.7237 -1.7221 -0.9402 -0.9385 -0.8725 -0.8724 2.6268 2.6271 2.7238 2.7255 4.1798 4.1830 4.5869 4.5906 5.4352 5.4413 5.6369 5.6437 5.7149 5.7178 6.4784 6.4817 6.8043 6.8180 7.0652 7.0723 7.4673 7.4736 8.2428 8.2455 15.9573 15.9588 16.6328 16.6340 17.4130 17.4156 17.6823 17.6828 18.2315 18.2353 k = 0.5000 0.2887 0.3882 ( 2154 PWs) bands (ev): -15.6990 -15.6990 -14.7942 -14.7942 -13.9706 -13.9704 -12.1164 -12.1162 -11.5564 -11.5558 -11.3779 -11.3773 -5.6614 -5.6610 -3.7288 -3.7285 -2.6748 -2.6739 -1.7314 -1.7297 -0.9305 -0.9290 -0.8758 -0.8753 2.6350 2.6352 2.7337 2.7355 4.1638 4.1674 4.5112 4.5150 5.4105 5.4173 5.6826 5.6885 5.7283 5.7324 6.4503 6.4530 6.8461 6.8597 7.0889 7.0964 7.4858 7.4927 8.2376 8.2409 15.9667 15.9684 16.6399 16.6414 17.3758 17.3785 17.6857 17.6864 18.2624 18.2666 k = 0.5000 0.2887 0.3757 ( 2154 PWs) bands (ev): -15.7111 -15.7110 -14.8024 -14.8024 -13.9500 -13.9498 -12.1045 -12.1044 -11.5651 -11.5644 -11.3690 -11.3684 -5.6632 -5.6628 -3.7504 -3.7500 -2.6694 -2.6682 -1.7395 -1.7376 -0.9300 -0.9289 -0.8702 -0.8689 2.6438 2.6441 2.7453 2.7473 4.1458 4.1498 4.4364 4.4403 5.3725 5.3798 5.7059 5.7097 5.7733 5.7804 6.4216 6.4239 6.8896 6.9029 7.1142 7.1218 7.5060 7.5132 8.2325 8.2363 15.9775 15.9794 16.6480 16.6495 17.3370 17.3398 17.6901 17.6909 18.2938 18.2982 k = 0.5000 0.2887 0.3632 ( 2158 PWs) bands (ev): -15.7242 -15.7241 -14.8114 -14.8114 -13.9275 -13.9273 -12.0915 -12.0914 -11.5730 -11.5724 -11.3606 -11.3600 -5.6652 -5.6648 -3.7743 -3.7739 -2.6630 -2.6617 -1.7477 -1.7457 -0.9395 -0.9385 -0.8551 -0.8531 2.6531 2.6535 2.7588 2.7610 4.1262 4.1305 4.3628 4.3667 5.3285 5.3362 5.7150 5.7186 5.8339 5.8423 6.3947 6.3966 6.9313 6.9439 7.1429 7.1502 7.5270 7.5345 8.2276 8.2321 15.9898 15.9919 16.6568 16.6585 17.2971 17.3000 17.6953 17.6962 18.3249 18.3294 k = 0.5000 0.2887 0.3507 ( 2150 PWs) bands (ev): -15.7383 -15.7382 -14.8210 -14.8209 -13.9034 -13.9031 -12.0775 -12.0773 -11.5801 -11.5794 -11.3529 -11.3523 -5.6674 -5.6669 -3.8005 -3.8001 -2.6557 -2.6543 -1.7557 -1.7536 -0.9547 -0.9536 -0.8348 -0.8326 2.6627 2.6633 2.7741 2.7764 4.1051 4.1097 4.2905 4.2946 5.2815 5.2896 5.7221 5.7258 5.8934 5.9027 6.3723 6.3739 6.9685 6.9799 7.1770 7.1835 7.5481 7.5559 8.2236 8.2288 16.0035 16.0058 16.6663 16.6682 17.2568 17.2597 17.7016 17.7026 18.3551 18.3599 k = 0.5000 0.2887 0.3381 ( 2154 PWs) bands (ev): -15.7531 -15.7530 -14.8311 -14.8310 -13.8778 -13.8775 -12.0626 -12.0624 -11.5862 -11.5855 -11.3460 -11.3454 -5.6697 -5.6692 -3.8288 -3.8283 -2.6474 -2.6459 -1.7634 -1.7612 -0.9734 -0.9722 -0.8121 -0.8096 2.6726 2.6735 2.7912 2.7936 4.0828 4.0877 4.2198 4.2240 5.2330 5.2413 5.7284 5.7326 5.9460 5.9562 6.3576 6.3592 6.9995 7.0093 7.2174 7.2226 7.5684 7.5764 8.2207 8.2265 16.0186 16.0210 16.6765 16.6785 17.2165 17.2194 17.7088 17.7098 18.3841 18.3890 k = 0.5000 0.2887 0.3256 ( 2148 PWs) bands (ev): -15.7686 -15.7685 -14.8416 -14.8416 -13.8510 -13.8507 -12.0470 -12.0468 -11.5911 -11.5904 -11.3399 -11.3393 -5.6721 -5.6715 -3.8589 -3.8584 -2.6382 -2.6365 -1.7707 -1.7684 -0.9946 -0.9934 -0.7879 -0.7854 2.6828 2.6840 2.8099 2.8125 4.0593 4.0645 4.1509 4.1554 5.1838 5.1923 5.7340 5.7387 5.9876 5.9983 6.3544 6.3563 7.0245 7.0327 7.2632 7.2672 7.5873 7.5955 8.2194 8.2260 16.0351 16.0377 16.6871 16.6892 17.1765 17.1794 17.7171 17.7182 18.4113 18.4163 k = 0.5000 0.2887 0.3131 ( 2150 PWs) bands (ev): -15.7845 -15.7844 -14.8525 -14.8524 -13.8233 -13.8229 -12.0309 -12.0307 -11.5947 -11.5940 -11.3347 -11.3341 -5.6746 -5.6740 -3.8906 -3.8901 -2.6280 -2.6262 -1.7774 -1.7750 -1.0180 -1.0167 -0.7630 -0.7603 2.6931 2.6946 2.8301 2.8328 4.0345 4.0403 4.0842 4.0894 5.1346 5.1431 5.7382 5.7437 6.0152 6.0260 6.3656 6.3682 7.0451 7.0520 7.3122 7.3153 7.6042 7.6128 8.2201 8.2274 16.0528 16.0555 16.6982 16.7004 17.1372 17.1401 17.7265 17.7275 18.4365 18.4416 k = 0.5000 0.2887 0.3006 ( 2150 PWs) bands (ev): -15.8008 -15.8007 -14.8636 -14.8636 -13.7948 -13.7945 -12.0144 -12.0142 -11.5969 -11.5962 -11.3305 -11.3299 -5.6772 -5.6766 -3.9237 -3.9232 -2.6168 -2.6149 -1.7833 -1.7809 -1.0435 -1.0421 -0.7377 -0.7349 2.7035 2.7054 2.8515 2.8543 4.0039 4.0113 4.0238 4.0310 5.0855 5.0941 5.7403 5.7466 6.0295 6.0398 6.3908 6.3942 7.0632 7.0694 7.3619 7.3644 7.6195 7.6284 8.2231 8.2311 16.0717 16.0746 16.7097 16.7120 17.0989 17.1018 17.7369 17.7379 18.4594 18.4646 k = 0.5000 0.2887 0.2881 ( 2150 PWs) bands (ev): -15.8173 -15.8172 -14.8749 -14.8749 -13.7658 -13.7655 -11.9977 -11.9975 -11.5977 -11.5970 -11.3274 -11.3268 -5.6799 -5.6793 -3.9579 -3.9574 -2.6047 -2.6026 -1.7884 -1.7860 -1.0708 -1.0694 -0.7121 -0.7094 2.7141 2.7163 2.8739 2.8769 3.9510 3.9556 3.9922 3.9971 5.0371 5.0457 5.7392 5.7465 6.0346 6.0442 6.4259 6.4303 7.0807 7.0867 7.4094 7.4117 7.6340 7.6433 8.2286 8.2372 16.0917 16.0947 16.7213 16.7237 17.0619 17.0647 17.7483 17.7493 18.4800 18.4853 k = 0.5000 0.2887 0.2755 ( 2154 PWs) bands (ev): -15.8338 -15.8338 -14.8863 -14.8863 -13.7366 -13.7362 -11.9810 -11.9807 -11.5969 -11.5962 -11.3254 -11.3247 -5.6826 -5.6820 -3.9930 -3.9925 -2.5916 -2.5895 -1.7927 -1.7903 -1.1000 -1.0985 -0.6867 -0.6839 2.7249 2.7274 2.8970 2.9002 3.8913 3.8957 3.9675 3.9722 4.9893 4.9979 5.7342 5.7424 6.0359 6.0449 6.4656 6.4710 7.0994 7.1053 7.4513 7.4538 7.6499 7.6596 8.2365 8.2457 16.1126 16.1158 16.7330 16.7354 17.0265 17.0293 17.7606 17.7617 18.4980 18.5033 k = 0.5000 0.2887 0.2630 ( 2162 PWs) bands (ev): -15.8504 -15.8503 -14.8977 -14.8977 -13.7072 -13.7068 -11.9644 -11.9641 -11.5944 -11.5937 -11.3245 -11.3239 -5.6854 -5.6848 -4.0287 -4.0282 -2.5775 -2.5753 -1.7962 -1.7937 -1.1308 -1.1292 -0.6615 -0.6588 2.7357 2.7385 2.9206 2.9240 3.8329 3.8374 3.9442 3.9489 4.9425 4.9510 5.7245 5.7337 6.0374 6.0461 6.5056 6.5119 7.1206 7.1266 7.4836 7.4865 7.6707 7.6806 8.2467 8.2563 16.1344 16.1376 16.7446 16.7470 16.9931 16.9958 17.7740 17.7749 18.5134 18.5187 k = 0.5000 0.2887 0.2505 ( 2158 PWs) bands (ev): -15.8667 -15.8666 -14.9090 -14.9090 -13.6780 -13.6776 -11.9479 -11.9476 -11.5904 -11.5897 -11.3248 -11.3241 -5.6882 -5.6875 -4.0647 -4.0642 -2.5626 -2.5603 -1.7987 -1.7962 -1.1632 -1.1615 -0.6367 -0.6340 2.7465 2.7496 2.9443 2.9480 3.7767 3.7814 3.9222 3.9268 4.8967 4.9052 5.7100 5.7200 6.0416 6.0502 6.5431 6.5500 7.1452 7.1513 7.5031 7.5068 7.6994 7.7091 8.2588 8.2687 16.1568 16.1601 16.7557 16.7582 16.9622 16.9648 17.7882 17.7891 18.5263 18.5316 k = 0.5000 0.2887 0.2380 ( 2158 PWs) bands (ev): -15.8828 -15.8827 -14.9203 -14.9202 -13.6490 -13.6486 -11.9316 -11.9313 -11.5848 -11.5841 -11.3263 -11.3256 -5.6909 -5.6903 -4.1008 -4.1004 -2.5466 -2.5443 -1.8004 -1.7978 -1.1970 -1.1953 -0.6125 -0.6098 2.7573 2.7607 2.9678 2.9718 3.7231 3.7279 3.9014 3.9060 4.8520 4.8604 5.6912 5.7017 6.0495 6.0582 6.5761 6.5834 7.1736 7.1798 7.5105 7.5149 7.7358 7.7452 8.2722 8.2824 16.1796 16.1830 16.7659 16.7684 16.9344 16.9369 17.8031 17.8040 18.5369 18.5421 k = 0.5000 0.2887 0.2254 ( 2160 PWs) bands (ev): -15.8986 -15.8985 -14.9313 -14.9313 -13.6206 -13.6202 -11.9155 -11.9152 -11.5777 -11.5771 -11.3289 -11.3283 -5.6937 -5.6930 -4.1368 -4.1364 -2.5298 -2.5273 -1.8012 -1.7986 -1.2322 -1.2304 -0.5889 -0.5863 2.7681 2.7717 2.9908 2.9952 3.6721 3.6771 3.8822 3.8867 4.8087 4.8170 5.6688 5.6796 6.0613 6.0701 6.6038 6.6112 7.2055 7.2115 7.5089 7.5141 7.7772 7.7861 8.2865 8.2969 16.2025 16.2059 16.7740 16.7765 16.9110 16.9135 17.8187 17.8195 18.5451 18.5504 k = 0.5000 0.2887 0.2129 ( 2168 PWs) bands (ev): -15.9139 -15.9138 -14.9421 -14.9420 -13.5928 -13.5924 -11.8997 -11.8994 -11.5693 -11.5687 -11.3328 -11.3322 -5.6964 -5.6957 -4.1724 -4.1720 -2.5119 -2.5094 -1.8012 -1.7986 -1.2687 -1.2668 -0.5661 -0.5635 2.7786 2.7825 3.0130 3.0177 3.6240 3.6292 3.8649 3.8692 4.7667 4.7749 5.6436 5.6546 6.0766 6.0855 6.6260 6.6333 7.2392 7.2450 7.5028 7.5085 7.8207 7.8294 8.3012 8.3117 16.2254 16.2288 16.7782 16.7808 16.8938 16.8964 17.8347 17.8355 18.5514 18.5566 k = 0.5000 0.2887 0.2004 ( 2172 PWs) bands (ev): -15.9287 -15.9286 -14.9525 -14.9525 -13.5658 -13.5655 -11.8841 -11.8837 -11.5598 -11.5592 -11.3379 -11.3372 -5.6990 -5.6984 -4.2074 -4.2070 -2.4931 -2.4906 -1.8006 -1.7979 -1.3062 -1.3043 -0.5442 -0.5416 2.7889 2.7929 3.0340 3.0390 3.5790 3.5843 3.8495 3.8538 4.7264 4.7344 5.6166 5.6275 6.0948 6.1039 6.6430 6.6500 7.2716 7.2771 7.4966 7.5029 7.8644 7.8729 8.3156 8.3262 16.2478 16.2513 16.7766 16.7792 16.8852 16.8879 17.8511 17.8518 18.5559 18.5610 k = 0.5000 0.2887 0.1879 ( 2172 PWs) bands (ev): -15.9429 -15.9429 -14.9626 -14.9626 -13.5399 -13.5395 -11.8685 -11.8681 -11.5495 -11.5489 -11.3440 -11.3434 -5.7016 -5.7010 -4.2415 -4.2411 -2.4732 -2.4707 -1.7993 -1.7966 -1.3447 -1.3426 -0.5232 -0.5207 2.7988 2.8030 3.0535 3.0588 3.5372 3.5427 3.8362 3.8404 4.6877 4.6955 5.5884 5.5992 6.1155 6.1247 6.6557 6.6622 7.2972 7.3024 7.4965 7.5034 7.9071 7.9156 8.3294 8.3401 16.2697 16.2731 16.7687 16.7713 16.8856 16.8884 17.8677 17.8683 18.5590 18.5641 k = 0.5000 0.2887 0.1753 ( 2168 PWs) bands (ev): -15.9565 -15.9564 -14.9723 -14.9723 -13.5150 -13.5146 -11.8529 -11.8525 -11.5385 -11.5380 -11.3513 -11.3507 -5.7041 -5.7035 -4.2745 -4.2741 -2.4524 -2.4498 -1.7976 -1.7948 -1.3839 -1.3818 -0.5032 -0.5008 2.8082 2.8125 3.0710 3.0767 3.4990 3.5046 3.8252 3.8293 4.6508 4.6584 5.5597 5.5702 6.1380 6.1474 6.6647 6.6706 7.3093 7.3142 7.5093 7.5164 7.9481 7.9566 8.3422 8.3530 16.2905 16.2939 16.7568 16.7592 16.8930 16.8958 17.8843 17.8849 18.5610 18.5660 k = 0.5000 0.2887 0.1628 ( 2164 PWs) bands (ev): -15.9694 -15.9693 -14.9815 -14.9815 -13.4914 -13.4910 -11.8372 -11.8368 -11.5273 -11.5268 -11.3595 -11.3589 -5.7065 -5.7060 -4.3062 -4.3058 -2.4305 -2.4279 -1.7955 -1.7926 -1.4236 -1.4214 -0.4843 -0.4821 2.8171 2.8215 3.0862 3.0923 3.4646 3.4703 3.8164 3.8204 4.6159 4.6233 5.5309 5.5411 6.1620 6.1715 6.6709 6.6762 7.3056 7.3099 7.5373 7.5441 7.9868 7.9953 8.3537 8.3646 16.3101 16.3134 16.7433 16.7456 16.9049 16.9076 17.9008 17.9012 18.5624 18.5674 k = 0.5000 0.2887 0.1503 ( 2164 PWs) bands (ev): -15.9815 -15.9814 -14.9902 -14.9902 -13.4691 -13.4688 -11.8213 -11.8209 -11.5162 -11.5157 -11.3685 -11.3679 -5.7088 -5.7083 -4.3364 -4.3360 -2.4076 -2.4050 -1.7933 -1.7903 -1.4637 -1.4614 -0.4666 -0.4645 2.8253 2.8297 3.0988 3.1051 3.4343 3.4400 3.8098 3.8136 4.5832 4.5903 5.5025 5.5122 6.1871 6.1968 6.6750 6.6798 7.2897 7.2935 7.5764 7.5826 8.0228 8.0314 8.3637 8.3746 16.3282 16.3313 16.7300 16.7322 16.9194 16.9220 17.9168 17.9172 18.5636 18.5684 k = 0.5000 0.2887 0.1378 ( 2172 PWs) bands (ev): -15.9928 -15.9927 -14.9984 -14.9984 -13.4483 -13.4480 -11.8052 -11.8047 -11.5057 -11.5052 -11.3781 -11.3775 -5.7110 -5.7106 -4.3649 -4.3646 -2.3836 -2.3810 -1.7912 -1.7881 -1.5038 -1.5013 -0.4500 -0.4481 2.8328 2.8372 3.1084 3.1149 3.4085 3.4142 3.8051 3.8088 4.5527 4.5595 5.4748 5.4841 6.2129 6.2227 6.6778 6.6821 7.2662 7.2697 7.6214 7.6271 8.0559 8.0646 8.3720 8.3829 16.3446 16.3475 16.7178 16.7198 16.9355 16.9380 17.9322 17.9326 18.5648 18.5696 k = 0.5000 0.2887 0.1252 ( 2170 PWs) bands (ev): -16.0032 -16.0032 -15.0059 -15.0059 -13.4291 -13.4288 -11.7887 -11.7882 -11.4964 -11.4959 -11.3878 -11.3872 -5.7131 -5.7126 -4.3915 -4.3912 -2.3587 -2.3561 -1.7895 -1.7861 -1.5436 -1.5409 -0.4348 -0.4329 2.8395 2.8438 3.1149 3.1213 3.3874 3.3929 3.8022 3.8057 4.5248 4.5312 5.4482 5.4569 6.2389 6.2488 6.6797 6.6837 7.2386 7.2417 7.6691 7.6743 8.0856 8.0944 8.3785 8.3894 16.3591 16.3618 16.7071 16.7089 16.9526 16.9550 17.9470 17.9473 18.5668 18.5714 k = 0.5000 0.2887 0.1127 ( 2174 PWs) bands (ev): -16.0128 -16.0127 -15.0129 -15.0129 -13.4116 -13.4113 -11.7718 -11.7714 -11.4891 -11.4885 -11.3969 -11.3963 -5.7150 -5.7146 -4.4162 -4.4159 -2.3327 -2.3302 -1.7887 -1.7849 -1.5825 -1.5796 -0.4208 -0.4191 2.8455 2.8496 3.1182 3.1243 3.3712 3.3764 3.8007 3.8040 4.4994 4.5054 5.4230 5.4311 6.2648 6.2748 6.6814 6.6853 7.2085 7.2113 7.7173 7.7221 8.1118 8.1207 8.3834 8.3942 16.3716 16.3741 16.6980 16.6996 16.9702 16.9724 17.9608 17.9611 18.5698 18.5743 k = 0.5000 0.2887 0.1002 ( 2174 PWs) bands (ev): -16.0214 -16.0214 -15.0192 -15.0192 -13.3957 -13.3954 -11.7546 -11.7542 -11.4849 -11.4843 -11.4044 -11.4039 -5.7168 -5.7164 -4.4386 -4.4384 -2.3060 -2.3035 -1.7893 -1.7851 -1.6197 -1.6164 -0.4082 -0.4067 2.8506 2.8545 3.1185 3.1241 3.3597 3.3643 3.8003 3.8035 4.4768 4.4823 5.3994 5.4069 6.2901 6.3001 6.6832 6.6873 7.1772 7.1796 7.7648 7.7692 8.1343 8.1432 8.3869 8.3974 16.3822 16.3844 16.6906 16.6920 16.9878 16.9898 17.9735 17.9738 18.5743 18.5787 k = 0.5000 0.2887 0.0877 ( 2176 PWs) bands (ev): -16.0291 -16.0291 -15.0248 -15.0248 -13.3816 -13.3814 -11.7372 -11.7367 -11.4852 -11.4846 -11.4090 -11.4086 -5.7184 -5.7180 -4.4587 -4.4585 -2.2785 -2.2760 -1.7926 -1.7879 -1.6539 -1.6502 -0.3970 -0.3956 2.8549 2.8585 3.1163 3.1213 3.3522 3.3562 3.8007 3.8036 4.4570 4.4620 5.3778 5.3845 6.3144 6.3241 6.6856 6.6901 7.1456 7.1478 7.8107 7.8147 8.1527 8.1615 8.3890 8.3991 16.3910 16.3929 16.6847 16.6859 17.0049 17.0067 17.9850 17.9852 18.5806 18.5849 k = 0.5000 0.2887 0.0751 ( 2176 PWs) bands (ev): -16.0358 -16.0358 -15.0297 -15.0297 -13.3693 -13.3691 -11.7195 -11.7191 -11.4904 -11.4899 -11.4102 -11.4100 -5.7198 -5.7195 -4.4764 -4.4763 -2.2506 -2.2482 -1.8003 -1.7953 -1.6829 -1.6789 -0.3872 -0.3860 2.8585 2.8617 3.1125 3.1168 3.3481 3.3514 3.8016 3.8042 4.4402 4.4446 5.3584 5.3644 6.3370 6.3463 6.6891 6.6938 7.1146 7.1164 7.8541 7.8578 8.1670 8.1755 8.3902 8.3997 16.3980 16.3996 16.6802 16.6812 17.0211 17.0227 17.9951 17.9954 18.5890 18.5931 k = 0.5000 0.2887 0.0626 ( 2174 PWs) bands (ev): -16.0415 -16.0415 -15.0339 -15.0339 -13.3588 -13.3587 -11.7019 -11.7014 -11.4997 -11.4992 -11.4089 -11.4087 -5.7210 -5.7207 -4.4916 -4.4914 -2.2225 -2.2202 -1.8142 -1.8092 -1.7040 -1.7002 -0.3788 -0.3778 2.8614 2.8642 3.1078 3.1113 3.3464 3.3490 3.8027 3.8049 4.4261 4.4299 5.3416 5.3466 6.3575 6.3661 6.6938 6.6986 7.0850 7.0866 7.8943 7.8977 8.1771 8.1850 8.3909 8.3995 16.4035 16.4049 16.6768 16.6776 17.0358 17.0372 18.0038 18.0040 18.5996 18.6035 k = 0.5000 0.2887 0.0501 ( 2166 PWs) bands (ev): -16.0462 -16.0462 -15.0373 -15.0373 -13.3502 -13.3501 -11.6846 -11.6841 -11.5117 -11.5112 -11.4063 -11.4062 -5.7219 -5.7217 -4.5041 -4.5040 -2.1951 -2.1929 -1.8339 -1.8297 -1.7167 -1.7137 -0.3719 -0.3711 2.8637 2.8660 3.1030 3.1058 3.3461 3.3482 3.8038 3.8056 4.4150 4.4180 5.3275 5.3316 6.3753 6.3828 6.6996 6.7042 7.0579 7.0591 7.9305 7.9335 8.1831 8.1901 8.3915 8.3988 16.4077 16.4088 16.6744 16.6751 17.0487 17.0498 18.0110 18.0112 18.6124 18.6161 k = 0.5000 0.2887 0.0376 ( 2162 PWs) bands (ev): -16.0499 -16.0499 -15.0400 -15.0400 -13.3435 -13.3434 -11.6681 -11.6677 -11.5246 -11.5241 -11.4035 -11.4034 -5.7227 -5.7226 -4.5139 -4.5138 -2.1693 -2.1674 -1.8567 -1.8533 -1.7233 -1.7212 -0.3665 -0.3659 2.8654 2.8672 3.0988 3.1008 3.3467 3.3482 3.8047 3.8062 4.4065 4.4089 5.3164 5.3196 6.3899 6.3959 6.7062 6.7102 7.0343 7.0353 7.9616 7.9640 8.1857 8.1914 8.3921 8.3978 16.4108 16.4116 16.6728 16.6733 17.0593 17.0601 18.0166 18.0168 18.6269 18.6302 k = 0.5000 0.2887 0.0250 ( 2162 PWs) bands (ev): -16.0525 -16.0525 -15.0420 -15.0420 -13.3387 -13.3386 -11.6535 -11.6531 -11.5370 -11.5366 -11.4011 -11.4011 -5.7233 -5.7232 -4.5210 -4.5209 -2.1471 -2.1455 -1.8780 -1.8757 -1.7264 -1.7251 -0.3626 -0.3622 2.8667 2.8679 3.0955 3.0969 3.3476 3.3486 3.8055 3.8065 4.4007 4.4023 5.3085 5.3106 6.4009 6.4052 6.7125 6.7155 7.0157 7.0165 7.9861 7.9879 8.1858 8.1899 8.3928 8.3968 16.4129 16.4134 16.6718 16.6722 17.0671 17.0677 18.0206 18.0208 18.6418 18.6445 k = 0.5000 0.2887 0.0125 ( 2154 PWs) bands (ev): -16.0541 -16.0541 -15.0431 -15.0431 -13.3358 -13.3358 -11.6426 -11.6423 -11.5466 -11.5463 -11.3996 -11.3996 -5.7236 -5.7235 -4.5252 -4.5252 -2.1311 -2.1302 -1.8935 -1.8922 -1.7277 -1.7271 -0.3602 -0.3600 2.8676 2.8682 3.0936 3.0943 3.3484 3.3488 3.8061 3.8066 4.3974 4.3982 5.3039 5.3050 6.4081 6.4103 6.7175 6.7191 7.0039 7.0042 8.0022 8.0032 8.1852 8.1874 8.3937 8.3957 16.4142 16.4144 16.6713 16.6715 17.0721 17.0723 18.0231 18.0232 18.6544 18.6560 k = 0.5000 0.2887-0.0000 ( 2158 PWs) bands (ev): -16.0546 -16.0546 -15.0435 -15.0435 -13.3348 -13.3348 -11.6382 -11.6382 -11.5502 -11.5502 -11.3990 -11.3990 -5.7237 -5.7237 -4.5266 -4.5266 -2.1249 -2.1249 -1.8988 -1.8988 -1.7278 -1.7278 -0.3593 -0.3593 2.8681 2.8681 3.0932 3.0932 3.3488 3.3488 3.8064 3.8064 4.3966 4.3966 5.3028 5.3028 6.4113 6.4113 6.7199 6.7199 6.9998 6.9998 8.0082 8.0082 8.1855 8.1855 8.3947 8.3947 16.4147 16.4147 16.6712 16.6712 17.0738 17.0738 18.0239 18.0239 18.6601 18.6601 k = 0.3333 0.5774-0.0000 ( 2172 PWs) bands (ev): -15.5030 -15.5029 -15.5029 -15.5028 -13.6484 -13.6484 -11.5408 -11.5408 -11.4413 -11.4413 -11.4408 -11.4406 -5.9460 -5.9460 -3.5655 -3.5655 -3.5650 -3.5637 -1.3991 -1.3958 -1.3958 -1.3946 -0.1307 -0.1307 2.5501 2.5501 3.2397 3.2456 3.2456 3.2521 4.1795 4.1851 4.1853 4.1853 5.2356 5.2356 5.8220 5.8220 6.9658 6.9753 6.9753 6.9759 8.2128 8.2149 8.2149 8.2279 8.4728 8.4728 16.5766 16.5766 16.5767 16.5774 17.3507 17.3507 17.9829 17.9829 18.4494 18.4505 k = 0.3333 0.5774 0.0125 ( 2178 PWs) bands (ev): -15.5137 -15.5137 -15.4912 -15.4911 -13.6487 -13.6487 -11.5417 -11.5416 -11.4612 -11.4606 -11.4226 -11.4221 -5.9442 -5.9442 -3.5874 -3.5864 -3.5429 -3.5418 -1.4118 -1.4107 -1.3815 -1.3806 -0.1323 -0.1320 2.5515 2.5516 3.1950 3.1951 3.2969 3.2973 4.1460 4.1490 4.2204 4.2233 5.2309 5.2325 5.8265 5.8276 6.9335 6.9382 7.0083 7.0124 8.1771 8.1817 8.2489 8.2551 8.4710 8.4712 16.5440 16.5445 16.6081 16.6086 17.3491 17.3492 17.9827 17.9831 18.4419 18.4422 k = 0.3333 0.5774 0.0250 ( 2175 PWs) bands (ev): -15.5235 -15.5235 -15.4784 -15.4784 -13.6497 -13.6497 -11.5441 -11.5440 -11.4824 -11.4818 -11.4054 -11.4048 -5.9386 -5.9386 -3.6087 -3.6077 -3.5198 -3.5187 -1.4260 -1.4251 -1.3661 -1.3651 -0.1369 -0.1362 2.5557 2.5559 3.1453 3.1457 3.3485 3.3485 4.1121 4.1149 4.2601 4.2631 5.2187 5.2218 5.8407 5.8430 6.8967 6.9012 7.0452 7.0495 8.1355 8.1405 8.2790 8.2847 8.4656 8.4660 16.5108 16.5112 16.6386 16.6391 17.3444 17.3446 17.9825 17.9833 18.4372 18.4374 k = 0.3333 0.5774 0.0376 ( 2175 PWs) bands (ev): -15.5323 -15.5323 -15.4646 -15.4646 -13.6514 -13.6513 -11.5481 -11.5480 -11.5047 -11.5042 -11.3895 -11.3890 -5.9294 -5.9293 -3.6294 -3.6284 -3.4961 -3.4950 -1.4399 -1.4390 -1.3503 -1.3492 -0.1443 -0.1433 2.5626 2.5631 3.0966 3.0971 3.3998 3.4002 4.0806 4.0831 4.3015 4.3044 5.2003 5.2047 5.8636 5.8667 6.8601 6.8645 7.0822 7.0865 8.0903 8.0955 8.3049 8.3105 8.4568 8.4574 16.4770 16.4774 16.6678 16.6684 17.3366 17.3370 17.9823 17.9835 18.4359 18.4361 k = 0.3333 0.5774 0.0501 ( 2178 PWs) bands (ev): -15.5402 -15.5402 -15.4499 -15.4498 -13.6537 -13.6536 -11.5536 -11.5535 -11.5282 -11.5276 -11.3752 -11.3747 -5.9165 -5.9164 -3.6494 -3.6484 -3.4719 -3.4708 -1.4532 -1.4525 -1.3343 -1.3331 -0.1547 -0.1533 2.5724 2.5730 3.0491 3.0497 3.4505 3.4515 4.0521 4.0543 4.3442 4.3471 5.1772 5.1825 5.8937 5.8974 6.8237 6.8281 7.1189 7.1232 8.0418 8.0470 8.3266 8.3321 8.4445 8.4454 16.4428 16.4433 16.6957 16.6963 17.3257 17.3263 17.9821 17.9837 18.4382 18.4384 k = 0.3333 0.5774 0.0626 ( 2172 PWs) bands (ev): -15.5472 -15.5472 -15.4340 -15.4340 -13.6568 -13.6567 -11.5605 -11.5603 -11.5526 -11.5521 -11.3624 -11.3618 -5.9001 -5.8999 -3.6686 -3.6677 -3.4474 -3.4462 -1.4660 -1.4654 -1.3181 -1.3169 -0.1678 -0.1661 2.5848 2.5856 3.0029 3.0035 3.4998 3.5015 4.0274 4.0290 4.3884 4.3912 5.1506 5.1568 5.9295 5.9336 6.7878 6.7921 7.1554 7.1597 7.9900 7.9952 8.3441 8.3495 8.4289 8.4300 16.4086 16.4091 16.7223 16.7229 17.3120 17.3126 17.9818 17.9838 18.4444 18.4445 k = 0.3333 0.5774 0.0751 ( 2166 PWs) bands (ev): -15.5534 -15.5534 -15.4171 -15.4171 -13.6606 -13.6604 -11.5780 -11.5774 -11.5687 -11.5685 -11.3511 -11.3506 -5.8802 -5.8800 -3.6872 -3.6863 -3.4224 -3.4212 -1.4782 -1.4777 -1.3019 -1.3006 -0.1835 -0.1816 2.5999 2.6008 2.9581 2.9588 3.5466 3.5493 4.0077 4.0085 4.4337 4.4365 5.1220 5.1288 5.9697 5.9741 6.7523 6.7565 7.1914 7.1957 7.9351 7.9404 8.3571 8.3626 8.4099 8.4114 16.3745 16.3750 16.7474 16.7481 17.2955 17.2962 17.9815 17.9838 18.4543 18.4545 k = 0.3333 0.5774 0.0877 ( 2166 PWs) bands (ev): -15.5586 -15.5586 -15.3992 -15.3992 -13.6652 -13.6650 -11.6041 -11.6036 -11.5781 -11.5779 -11.3415 -11.3410 -5.8570 -5.8568 -3.7052 -3.7043 -3.3971 -3.3959 -1.4898 -1.4895 -1.2856 -1.2843 -0.2019 -0.1996 2.6175 2.6185 2.9148 2.9155 3.5891 3.5930 3.9943 3.9946 4.4803 4.4830 5.0922 5.0995 6.0132 6.0177 6.7173 6.7215 7.2270 7.2312 7.8774 7.8826 8.3654 8.3712 8.3877 8.3899 16.3407 16.3412 16.7712 16.7719 17.2762 17.2771 17.9810 17.9836 18.4680 18.4682 k = 0.3333 0.5774 0.1002 ( 2166 PWs) bands (ev): -15.5631 -15.5631 -15.3803 -15.3802 -13.6707 -13.6705 -11.6310 -11.6305 -11.5885 -11.5883 -11.3334 -11.3329 -5.8305 -5.8303 -3.7225 -3.7216 -3.3715 -3.3704 -1.5008 -1.5006 -1.2694 -1.2680 -0.2228 -0.2202 2.6374 2.6386 2.8731 2.8738 3.6249 3.6303 3.9888 3.9905 4.5280 4.5305 5.0621 5.0698 6.0591 6.0636 6.6830 6.6872 7.2619 7.2660 7.8170 7.8222 8.3617 8.3624 8.3728 8.3754 16.3075 16.3080 16.7937 16.7945 17.2545 17.2553 17.9805 17.9834 18.4854 18.4855 k = 0.3333 0.5774 0.1127 ( 2166 PWs) bands (ev): -15.5667 -15.5667 -15.3603 -15.3602 -13.6771 -13.6768 -11.6585 -11.6580 -11.5997 -11.5995 -11.3270 -11.3265 -5.8010 -5.8007 -3.7391 -3.7383 -3.3457 -3.3446 -1.5111 -1.5110 -1.2533 -1.2520 -0.2461 -0.2432 2.6596 2.6609 2.8331 2.8338 3.6515 3.6585 3.9948 3.9979 4.5767 4.5791 5.0321 5.0402 6.1067 6.1111 6.6494 6.6535 7.2959 7.2999 7.7543 7.7594 8.3341 8.3353 8.3710 8.3752 16.2751 16.2756 16.8150 16.8159 17.2303 17.2312 17.9798 17.9829 18.5062 18.5064 k = 0.3333 0.5774 0.1252 ( 2166 PWs) bands (ev): -15.5696 -15.5696 -15.3392 -15.3391 -13.6844 -13.6841 -11.6865 -11.6860 -11.6117 -11.6115 -11.3222 -11.3217 -5.7685 -5.7682 -3.7552 -3.7544 -3.3198 -3.3187 -1.5208 -1.5208 -1.2375 -1.2361 -0.2716 -0.2684 2.6840 2.6855 2.7949 2.7955 3.6673 3.6757 4.0140 4.0183 4.6263 4.6287 5.0030 5.0112 6.1554 6.1597 6.6166 6.6207 7.3287 7.3325 7.6897 7.6945 8.3030 8.3047 8.3661 8.3705 16.2436 16.2442 16.8353 16.8363 17.2038 17.2048 17.9790 17.9823 18.5304 18.5305 k = 0.3333 0.5774 0.1378 ( 2163 PWs) bands (ev): -15.5717 -15.5717 -15.3171 -15.3170 -13.6928 -13.6925 -11.7150 -11.7145 -11.6242 -11.6239 -11.3190 -11.3185 -5.7332 -5.7329 -3.7708 -3.7701 -3.2938 -3.2927 -1.5299 -1.5297 -1.2220 -1.2206 -0.2992 -0.2958 2.7102 2.7119 2.7587 2.7591 3.6731 3.6824 4.0460 4.0511 4.6769 4.6791 4.9749 4.9833 6.2047 6.2088 6.5847 6.5889 7.3598 7.3631 7.6241 7.6284 8.2691 8.2712 8.3570 8.3613 16.2133 16.2139 16.8548 16.8558 17.1753 17.1763 17.9781 17.9816 18.5574 18.5578 k = 0.3333 0.5774 0.1503 ( 2163 PWs) bands (ev): -15.5732 -15.5732 -15.2940 -15.2939 -13.7022 -13.7019 -11.7437 -11.7432 -11.6370 -11.6367 -11.3174 -11.3169 -5.6954 -5.6950 -3.7860 -3.7853 -3.2678 -3.2667 -1.5382 -1.5379 -1.2069 -1.2056 -0.3287 -0.3251 2.7230 2.7245 2.7395 2.7403 3.6710 3.6809 4.0883 4.0938 4.7282 4.7302 4.9482 4.9567 6.2542 6.2580 6.5539 6.5580 7.3872 7.3895 7.5597 7.5630 8.2328 8.2352 8.3434 8.3478 16.1843 16.1849 16.8735 16.8745 17.1449 17.1458 17.9770 17.9807 18.5872 18.5874 k = 0.3333 0.5774 0.1628 ( 2169 PWs) bands (ev): -15.5740 -15.5740 -15.2699 -15.2698 -13.7128 -13.7125 -11.7726 -11.7721 -11.6498 -11.6496 -11.3174 -11.3169 -5.6551 -5.6547 -3.8007 -3.8001 -3.2418 -3.2408 -1.5457 -1.5452 -1.1923 -1.1910 -0.3601 -0.3563 2.6911 2.6919 2.7687 2.7703 3.6639 3.6740 4.1382 4.1437 4.7802 4.7821 4.9232 4.9318 6.3033 6.3069 6.5242 6.5283 7.4015 7.4025 7.5067 7.5067 8.1942 8.1969 8.3256 8.3299 16.1568 16.1575 16.8916 16.8927 17.1126 17.1136 17.9759 17.9797 18.6194 18.6196 k = 0.3333 0.5774 0.1753 ( 2154 PWs) bands (ev): -15.5742 -15.5742 -15.2447 -15.2446 -13.7247 -13.7243 -11.8015 -11.8011 -11.6626 -11.6624 -11.3189 -11.3185 -5.6126 -5.6121 -3.8152 -3.8146 -3.2160 -3.2149 -1.5524 -1.5518 -1.1783 -1.1770 -0.3931 -0.3891 2.6606 2.6613 2.7999 2.8017 3.6537 3.6639 4.1934 4.1989 4.8328 4.8345 4.9002 4.9087 6.3518 6.3549 6.4958 6.5000 7.3712 7.3766 7.4889 7.4933 8.1537 8.1566 8.3036 8.3078 16.1309 16.1317 16.9094 16.9105 17.0788 17.0797 17.9748 17.9787 18.6537 18.6539 k = 0.3333 0.5774 0.1879 ( 2148 PWs) bands (ev): -15.5738 -15.5738 -15.2185 -15.2184 -13.7378 -13.7374 -11.8304 -11.8300 -11.6752 -11.6749 -11.3220 -11.3215 -5.5680 -5.5675 -3.8296 -3.8290 -3.1903 -3.1893 -1.5582 -1.5574 -1.1650 -1.1638 -0.4276 -0.4234 2.6321 2.6327 2.8325 2.8345 3.6419 3.6522 4.2523 4.2576 4.8780 4.8859 4.8877 4.8886 6.3991 6.4018 6.4688 6.4732 7.3079 7.3140 7.5051 7.5101 8.1114 8.1146 8.2773 8.2815 16.1069 16.1077 16.9268 16.9281 17.0436 17.0444 17.9737 17.9777 18.6964 18.6965 k = 0.3333 0.5774 0.2004 ( 2136 PWs) bands (ev): -15.5729 -15.5729 -15.1914 -15.1912 -13.7523 -13.7519 -11.8592 -11.8588 -11.6872 -11.6869 -11.3265 -11.3261 -5.5216 -5.5210 -3.8439 -3.8434 -3.1649 -3.1639 -1.5631 -1.5621 -1.1525 -1.1512 -0.4635 -0.4591 2.6056 2.6061 2.8661 2.8683 3.6295 3.6397 4.3139 4.3191 4.8604 4.8691 4.9393 4.9410 6.4423 6.4434 6.4449 6.4526 7.2352 7.2412 7.5289 7.5338 8.0678 8.0714 8.2471 8.2511 16.0847 16.0856 16.9441 16.9454 17.0071 17.0079 17.9728 17.9768 18.7015 18.7016 k = 0.3333 0.5774 0.2129 ( 2136 PWs) bands (ev): -15.5716 -15.5715 -15.1632 -15.1631 -13.7682 -13.7677 -11.8877 -11.8873 -11.6986 -11.6983 -11.3325 -11.3321 -5.4735 -5.4729 -3.8582 -3.8578 -3.1398 -3.1388 -1.5670 -1.5658 -1.1407 -1.1395 -0.5006 -0.4961 2.5811 2.5815 2.9006 2.9030 3.6169 3.6271 4.3775 4.3825 4.8443 4.8528 4.9929 4.9943 6.4197 6.4233 6.4886 6.4913 7.1591 7.1649 7.5538 7.5585 8.0233 8.0271 8.2129 8.2169 16.0646 16.0654 16.9606 16.9626 16.9702 16.9702 17.9720 17.9760 18.7032 18.7033 k = 0.3333 0.5774 0.2254 ( 2139 PWs) bands (ev): -15.5698 -15.5697 -15.1341 -15.1340 -13.7855 -13.7851 -11.9158 -11.9154 -11.7092 -11.7089 -11.3398 -11.3394 -5.4239 -5.4233 -3.8727 -3.8724 -3.1151 -3.1141 -1.5699 -1.5685 -1.1298 -1.1286 -0.5388 -0.5342 2.5586 2.5590 2.9357 2.9383 3.6045 3.6148 4.4427 4.4475 4.8309 4.8393 5.0465 5.0477 6.3980 6.4018 6.5297 6.5318 7.0810 7.0866 7.5781 7.5826 7.9782 7.9824 8.1749 8.1788 16.0465 16.0474 16.9307 16.9316 16.9787 16.9798 17.9715 17.9756 18.7014 18.7015 k = 0.3333 0.5774 0.2380 ( 2145 PWs) bands (ev): -15.5676 -15.5676 -15.1041 -15.1040 -13.8043 -13.8039 -11.9435 -11.9431 -11.7189 -11.7185 -11.3484 -11.3480 -5.3730 -5.3724 -3.8876 -3.8873 -3.0909 -3.0899 -1.5716 -1.5700 -1.1198 -1.1187 -0.5779 -0.5731 2.5381 2.5385 2.9713 2.9741 3.5927 3.6030 4.5091 4.5138 4.8203 4.8285 5.0998 5.1009 6.3785 6.3824 6.5677 6.5693 7.0017 7.0072 7.6015 7.6058 7.9333 7.9378 8.1334 8.1372 16.0306 16.0316 16.8914 16.8922 16.9958 16.9970 17.9715 17.9755 18.6959 18.6961 k = 0.3333 0.5774 0.2505 ( 2145 PWs) bands (ev): -15.5651 -15.5651 -15.0732 -15.0730 -13.8247 -13.8242 -11.9705 -11.9701 -11.7274 -11.7271 -11.3582 -11.3579 -5.3211 -5.3204 -3.9029 -3.9027 -3.0672 -3.0663 -1.5721 -1.5704 -1.1108 -1.1097 -0.6177 -0.6129 2.5196 2.5199 3.0069 3.0100 3.5814 3.5918 4.5764 4.5809 4.8128 4.8208 5.1526 5.1535 6.3615 6.3654 6.6018 6.6030 6.9216 6.9270 7.6235 7.6277 7.8891 7.8939 8.0885 8.0922 16.0171 16.0181 16.8514 16.8521 17.0129 17.0142 17.9720 17.9760 18.6870 18.6873 k = 0.3333 0.5774 0.2630 ( 2145 PWs) bands (ev): -15.5624 -15.5624 -15.0414 -15.0412 -13.8465 -13.8461 -11.9968 -11.9965 -11.7347 -11.7343 -11.3692 -11.3689 -5.2682 -5.2675 -3.9188 -3.9186 -3.0441 -3.0432 -1.5714 -1.5695 -1.1026 -1.1016 -0.6582 -0.6533 2.5030 2.5032 3.0425 3.0458 3.5708 3.5812 4.6445 4.6489 4.8085 4.8162 5.2046 5.2053 6.3473 6.3513 6.6313 6.6321 6.8412 6.8463 7.6442 7.6481 7.8464 7.8515 8.0404 8.0441 16.0058 16.0068 16.8110 16.8116 17.0300 17.0313 17.9732 17.9771 18.6747 18.6750 k = 0.3333 0.5774 0.2755 ( 2139 PWs) bands (ev): -15.5594 -15.5594 -15.0088 -15.0086 -13.8699 -13.8695 -12.0223 -12.0220 -11.7406 -11.7403 -11.3813 -11.3810 -5.2146 -5.2139 -3.9355 -3.9354 -3.0217 -3.0209 -1.5693 -1.5672 -1.0955 -1.0945 -0.6992 -0.6941 2.4882 2.4884 3.0778 3.0814 3.5610 3.5714 4.7130 4.7173 4.8076 4.8151 5.2554 5.2559 6.3362 6.3403 6.6553 6.6558 6.7607 6.7656 7.6633 7.6671 7.8060 7.8114 7.9894 7.9930 15.9970 15.9980 16.7702 16.7707 17.0471 17.0484 17.9753 17.9790 18.6591 18.6594 k = 0.3333 0.5774 0.2881 ( 2145 PWs) bands (ev): -15.5563 -15.5562 -14.9753 -14.9751 -13.8948 -13.8944 -12.0469 -12.0466 -11.7451 -11.7448 -11.3943 -11.3941 -5.1605 -5.1598 -3.9530 -3.9530 -3.0001 -2.9993 -1.5658 -1.5635 -1.0892 -1.0883 -0.7405 -0.7354 2.4751 2.4753 3.1124 3.1163 3.5518 3.5622 4.7816 4.7859 4.8102 4.8176 5.3045 5.3048 6.3287 6.3329 6.6701 6.6734 6.6835 6.6850 7.6807 7.6842 7.7688 7.7745 7.9357 7.9393 15.9905 15.9916 16.7292 16.7297 17.0640 17.0653 17.9782 17.9819 18.6404 18.6408 k = 0.3333 0.5774 0.3006 ( 2145 PWs) bands (ev): -15.5530 -15.5530 -14.9410 -14.9408 -13.9212 -13.9208 -12.0704 -12.0701 -11.7482 -11.7479 -11.4083 -11.4081 -5.1060 -5.1053 -3.9717 -3.9716 -2.9794 -2.9786 -1.5609 -1.5584 -1.0838 -1.0830 -0.7819 -0.7768 2.4637 2.4639 3.1461 3.1504 3.5433 3.5537 4.8166 4.8229 4.8512 4.8546 5.3515 5.3517 6.3252 6.3294 6.5997 6.6051 6.6838 6.6848 7.6963 7.6997 7.7358 7.7416 7.8795 7.8831 15.9865 15.9876 16.6882 16.6885 17.0807 17.0820 17.9822 17.9858 18.6189 18.6193 k = 0.3333 0.5774 0.3131 ( 2145 PWs) bands (ev): -15.5497 -15.5497 -14.9061 -14.9058 -13.9491 -13.9486 -12.0928 -12.0925 -11.7497 -11.7494 -11.4231 -11.4228 -5.0514 -5.0506 -3.9915 -3.9914 -2.9595 -2.9588 -1.5543 -1.5516 -1.0793 -1.0785 -0.8235 -0.8183 2.4539 2.4540 3.1787 3.1834 3.5354 3.5459 4.8268 4.8329 4.9195 4.9230 5.3959 5.3959 6.3262 6.3305 6.5211 6.5262 6.6864 6.6875 7.7069 7.7102 7.7136 7.7141 7.8211 7.8247 15.9850 15.9861 16.6472 16.6475 17.0970 17.0982 17.9875 17.9909 18.5949 18.5954 k = 0.3333 0.5774 0.3256 ( 2148 PWs) bands (ev): -15.5464 -15.5464 -14.8704 -14.8701 -13.9783 -13.9778 -12.1140 -12.1137 -11.7497 -11.7494 -11.4385 -11.4383 -4.9967 -4.9959 -4.0126 -4.0124 -2.9407 -2.9401 -1.5462 -1.5433 -1.0756 -1.0749 -0.8649 -0.8597 2.4455 2.4456 3.2100 3.2150 3.5281 3.5386 4.8409 4.8467 4.9874 4.9907 5.4370 5.4372 6.3320 6.3365 6.4440 6.4489 6.6807 6.6818 7.6850 7.6910 7.7217 7.7254 7.7609 7.7649 15.9859 15.9870 16.6065 16.6066 17.1129 17.1140 17.9941 17.9974 18.5687 18.5692 k = 0.3333 0.5774 0.3381 ( 2148 PWs) bands (ev): -15.5431 -15.5431 -14.8340 -14.8338 -14.0089 -14.0084 -12.1338 -12.1336 -11.7481 -11.7478 -11.4546 -11.4544 -4.9422 -4.9414 -4.0352 -4.0349 -2.9231 -2.9224 -1.5363 -1.5333 -1.0727 -1.0720 -0.9062 -0.9009 2.4383 2.4384 3.2398 3.2452 3.5213 3.5318 4.8591 4.8644 5.0540 5.0571 5.4746 5.4749 6.3426 6.3477 6.3689 6.3744 6.6663 6.6674 7.6684 7.6739 7.6996 7.7011 7.7339 7.7354 15.9893 15.9904 16.5661 16.5661 17.1281 17.1293 18.0021 18.0053 18.5406 18.5412 k = 0.3333 0.5774 0.3507 ( 2157 PWs) bands (ev): -15.5399 -15.5399 -14.7971 -14.7969 -14.0407 -14.0403 -12.1523 -12.1521 -11.7450 -11.7447 -11.4712 -11.4710 -4.8880 -4.8872 -4.0592 -4.0589 -2.9065 -2.9060 -1.5248 -1.5215 -1.0703 -1.0697 -0.9471 -0.9418 2.4324 2.4325 3.2679 3.2737 3.5149 3.5254 4.8812 4.8861 5.1186 5.1215 5.5081 5.5085 6.2970 6.3008 6.3607 6.3644 6.6435 6.6445 7.6353 7.6388 7.6576 7.6642 7.7415 7.7434 15.9951 15.9962 16.5261 16.5261 17.1427 17.1437 18.0116 18.0147 18.5110 18.5117 k = 0.3333 0.5774 0.3632 ( 2151 PWs) bands (ev): -15.5369 -15.5369 -14.7596 -14.7593 -14.0737 -14.0733 -12.1692 -12.1690 -11.7404 -11.7401 -11.4882 -11.4881 -4.8343 -4.8335 -4.0848 -4.0845 -2.8913 -2.8908 -1.5114 -1.5080 -1.0686 -1.0680 -0.9875 -0.9822 2.4275 2.4276 3.2941 3.3003 3.5088 3.5192 4.9074 4.9118 5.1802 5.1828 5.5374 5.5379 6.2292 6.2332 6.3828 6.3867 6.6127 6.6135 7.5719 7.5752 7.6524 7.6582 7.7478 7.7496 16.0033 16.0045 16.4866 16.4867 17.1563 17.1573 18.0228 18.0257 18.4803 18.4811 k = 0.3333 0.5774 0.3757 ( 2151 PWs) bands (ev): -15.5340 -15.5340 -14.7216 -14.7213 -14.1078 -14.1074 -12.1846 -12.1844 -11.7343 -11.7341 -11.5055 -11.5054 -4.7813 -4.7805 -4.1122 -4.1117 -2.8774 -2.8769 -1.4962 -1.4927 -1.0673 -1.0669 -1.0273 -1.0220 2.4235 2.4236 3.3184 3.3250 3.5029 3.5133 4.9375 4.9413 5.2372 5.2395 5.5624 5.5629 6.1673 6.1712 6.4104 6.4142 6.5749 6.5754 7.5080 7.5111 7.6519 7.6573 7.7522 7.7538 16.0139 16.0151 16.4479 16.4481 17.1690 17.1699 18.0357 18.0385 18.4488 18.4496 k = 0.3333 0.5774 0.3882 ( 2151 PWs) bands (ev): -15.5314 -15.5314 -14.6832 -14.6829 -14.1429 -14.1425 -12.1984 -12.1982 -11.7268 -11.7266 -11.5230 -11.5229 -4.7290 -4.7282 -4.1413 -4.1407 -2.8649 -2.8645 -1.4793 -1.4755 -1.0670 -1.0665 -1.0664 -1.0602 2.4204 2.4204 3.3408 3.3478 3.4970 3.5074 4.9713 4.9746 5.2875 5.2895 5.5831 5.5837 6.1135 6.1173 6.4428 6.4464 6.5310 6.5310 7.4443 7.4474 7.6554 7.6603 7.7548 7.7561 16.0268 16.0280 16.4099 16.4102 17.1806 17.1814 18.0503 18.0530 18.4168 18.4176 k = 0.3333 0.5774 0.4008 ( 2151 PWs) bands (ev): -15.5291 -15.5291 -14.6444 -14.6441 -14.1789 -14.1785 -12.2104 -12.2103 -11.7180 -11.7178 -11.5405 -11.5405 -4.6776 -4.6768 -4.1721 -4.1716 -2.8540 -2.8536 -1.4604 -1.4565 -1.1046 -1.0997 -1.0659 -1.0653 2.4179 2.4179 3.3612 3.3686 3.4911 3.5014 5.0086 5.0114 5.3282 5.3299 5.6000 5.6005 6.0707 6.0744 6.4765 6.4792 6.4816 6.4880 7.3817 7.3847 7.6619 7.6663 7.7555 7.7565 16.0420 16.0432 16.3730 16.3733 17.1909 17.1916 18.0668 18.0693 18.3845 18.3855 k = 0.3333 0.5774 0.4133 ( 2160 PWs) bands (ev): -15.5270 -15.5270 -14.6053 -14.6050 -14.2157 -14.2153 -12.2207 -12.2206 -11.7079 -11.7077 -11.5581 -11.5580 -4.6273 -4.6265 -4.2048 -4.2042 -2.8446 -2.8443 -1.4398 -1.4357 -1.1419 -1.1369 -1.0656 -1.0652 2.4160 2.4160 3.3796 3.3874 3.4851 3.4953 5.0489 5.0513 5.3560 5.3572 5.6133 5.6138 6.0425 6.0460 6.4283 6.4283 6.5183 6.5222 7.3212 7.3240 7.6705 7.6745 7.7544 7.7550 16.0594 16.0605 16.3370 16.3374 17.1998 17.2004 18.0849 18.0873 18.3524 18.3534 k = 0.3333 0.5774 0.4258 ( 2172 PWs) bands (ev): -15.5253 -15.5253 -14.5660 -14.5657 -14.2532 -14.2528 -12.2292 -12.2291 -11.6966 -11.6964 -11.5755 -11.5754 -4.5782 -4.5773 -4.2394 -4.2387 -2.8368 -2.8365 -1.4173 -1.4131 -1.1781 -1.1732 -1.0654 -1.0651 2.4146 2.4146 3.3962 3.4043 3.4786 3.4887 5.0919 5.0937 5.3679 5.3687 5.6235 5.6239 6.0317 6.0351 6.3724 6.3729 6.5583 6.5616 7.2644 7.2670 7.6806 7.6841 7.7516 7.7518 16.0790 16.0800 16.3022 16.3027 17.2072 17.2077 18.1049 18.1071 18.3206 18.3217 k = 0.3333 0.5774 0.4383 ( 2172 PWs) bands (ev): -15.5240 -15.5240 -14.5266 -14.5262 -14.2913 -14.2909 -12.2358 -12.2357 -11.6842 -11.6841 -11.5926 -11.5926 -4.5303 -4.5295 -4.2757 -4.2751 -2.8307 -2.8305 -1.3931 -1.3888 -1.2131 -1.2082 -1.0654 -1.0651 2.4136 2.4136 3.4111 3.4195 3.4717 3.4817 5.1367 5.1382 5.3629 5.3634 5.6310 5.6313 6.0394 6.0426 6.3149 6.3159 6.5967 6.5995 7.2135 7.2157 7.6914 7.6944 7.7469 7.7470 16.1006 16.1016 16.2687 16.2693 17.2131 17.2135 18.1266 18.1288 18.2895 18.2907 k = 0.3333 0.5774 0.4509 ( 2184 PWs) bands (ev): -15.5230 -15.5230 -14.4870 -14.4867 -14.3299 -14.3295 -12.2406 -12.2405 -11.6709 -11.6707 -11.6094 -11.6094 -4.4839 -4.4831 -4.3139 -4.3132 -2.8263 -2.8261 -1.3671 -1.3626 -1.2469 -1.2420 -1.0654 -1.0652 2.4129 2.4129 3.4243 3.4330 3.4642 3.4740 5.1826 5.1836 5.3429 5.3431 5.6361 5.6362 6.0639 6.0668 6.2574 6.2587 6.6299 6.6320 7.1718 7.1735 7.7023 7.7049 7.7405 7.7409 16.1241 16.1251 16.2366 16.2372 17.2174 17.2176 18.1500 18.1521 18.2593 18.2605 k = 0.3333 0.5774 0.4634 ( 2184 PWs) bands (ev): -15.5224 -15.5224 -14.4475 -14.4471 -14.3688 -14.3684 -12.2434 -12.2434 -11.6566 -11.6565 -11.6258 -11.6257 -4.4390 -4.4382 -4.3539 -4.3531 -2.8236 -2.8235 -1.3394 -1.3348 -1.2792 -1.2745 -1.0654 -1.0653 2.4125 2.4125 3.4361 3.4450 3.4559 3.4656 5.2283 5.2288 5.3114 5.3115 5.6390 5.6391 6.1015 6.1041 6.2012 6.2030 6.6534 6.6545 7.1438 7.1448 7.7129 7.7152 7.7328 7.7335 16.1495 16.1506 16.2061 16.2067 17.2200 17.2201 18.1749 18.1770 18.2303 18.2314 k = 0.3333 0.5774 0.4759 ( 2178 PWs) bands (ev): -15.5222 -15.5222 -14.4081 -14.4080 -14.4077 -14.4077 -12.2444 -12.2444 -11.6418 -11.6415 -11.6415 -11.6411 -4.3956 -4.3956 -4.3951 -4.3945 -2.8227 -2.8227 -1.3111 -1.3091 -1.3054 -1.3054 -1.0653 -1.0653 2.4124 2.4124 3.4465 3.4465 3.4540 3.4578 5.2684 5.2720 5.2720 5.2763 5.6400 5.6400 6.1468 6.1500 6.1506 6.1506 6.6623 6.6623 7.1342 7.1342 7.7206 7.7248 7.7248 7.7261 16.1741 16.1778 16.1778 16.1798 17.2209 17.2209 18.1971 18.2035 18.2035 18.2067 Writing output data file CO2.save init_run : 0.44s CPU 0.27s WALL ( 1 calls) electrons : 390.85s CPU 296.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.21s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 390.84s CPU 296.83s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.07s WALL ( 1 calls) v_h : 0.05s CPU 0.03s WALL ( 1 calls) v_xc : 0.08s CPU 0.04s WALL ( 1 calls) newd : 0.03s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.35s WALL ( 375 calls) cegterg : 361.52s CPU 278.26s WALL ( 930 calls) Called by sum_band: Called by *egterg: h_psi : 177.77s CPU 122.09s WALL ( 16655 calls) s_psi : 6.97s CPU 4.61s WALL ( 16655 calls) g_psi : 0.30s CPU 0.22s WALL ( 15350 calls) cdiaghg : 169.89s CPU 142.67s WALL ( 15725 calls) cegterg:over : 12.53s CPU 8.82s WALL ( 15350 calls) cegterg:upda : 8.66s CPU 6.44s WALL ( 15350 calls) cegterg:last : 4.62s CPU 3.48s WALL ( 2004 calls) cdiaghg:chol : 8.52s CPU 7.54s WALL ( 15725 calls) cdiaghg:inve : 6.10s CPU 5.24s WALL ( 15725 calls) cdiaghg:para : 9.78s CPU 8.49s WALL ( 31450 calls) Called by h_psi: h_psi:vloc : 157.23s CPU 107.52s WALL ( 16655 calls) h_psi:vnl : 20.25s CPU 14.31s WALL ( 16655 calls) add_vuspsi : 9.70s CPU 6.48s WALL ( 16655 calls) General routines calbec : 10.49s CPU 7.78s WALL ( 16655 calls) fft : 0.06s CPU 0.04s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 149.80s CPU 102.02s WALL ( 1345048 calls) interpolate : 0.03s CPU 0.01s WALL ( 4 calls) davcio : 0.39s CPU 0.90s WALL ( 750 calls) Parallel routines fft_scatter : 62.67s CPU 45.28s WALL ( 1345071 calls) PWSCF : 6m45.50s CPU 5m25.90s WALL This run was terminated on: 15:48:50 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=