Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20: 5: 0 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./K2O.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 26 7 1229 539 84 Max 46 27 8 1235 551 89 Sum 1651 955 283 44375 19603 3119 bravais-lattice index = 14 lattice parameter (alat) = 8.6000 a.u. unit-cell volume = 449.7639 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.600028 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) 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 K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0030488 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0030488 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0030488 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0030488 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0030488 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0030488 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0030488 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0030488 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0030488 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0030488 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0030488 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0030488 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0030488 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0030488 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0030488 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0030488 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0030488 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0030488 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0030488 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0030488 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0030488 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0030488 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0030488 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0030488 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0030488 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0030488 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0030488 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0030488 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0030488 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0030488 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0030488 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0030488 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0030488 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0030488 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0030488 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0030488 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0030488 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0030488 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0030488 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0030488 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030488 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030488 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030488 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030488 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030488 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030488 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030488 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030488 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030488 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030488 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030488 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030488 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030488 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030488 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030488 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030488 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030488 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030488 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030488 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030488 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030488 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030488 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030488 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030488 k( 76) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 77) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 78) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030488 k( 79) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030488 k( 80) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030488 k( 81) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030488 k( 82) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030488 k( 83) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030488 k( 84) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030488 k( 85) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030488 k( 86) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030488 k( 87) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030488 k( 88) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030488 k( 89) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030488 k( 90) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030488 k( 91) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030488 k( 92) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030488 k( 93) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030488 k( 94) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030488 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 97) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030488 k( 98) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030488 k( 99) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030488 k( 100) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030488 k( 101) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030488 k( 102) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030488 k( 103) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030488 k( 104) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030488 k( 105) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030488 k( 106) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030488 k( 107) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030488 k( 108) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030488 k( 109) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030488 k( 110) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030488 k( 111) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030488 k( 112) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030488 k( 113) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030488 k( 114) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030488 k( 115) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030488 k( 116) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030488 k( 117) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030488 k( 118) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030488 k( 119) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030488 k( 120) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030488 k( 121) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030488 k( 122) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030488 k( 123) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030488 k( 124) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030488 k( 125) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030488 k( 126) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030488 k( 127) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030488 k( 128) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030488 k( 129) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030488 k( 130) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030488 k( 131) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030488 k( 132) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030488 k( 133) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030488 k( 134) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030488 k( 135) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030488 k( 136) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030488 k( 137) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030488 k( 138) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030488 k( 139) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030488 k( 140) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030488 k( 141) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030488 k( 142) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030488 k( 143) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030488 k( 144) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030488 k( 145) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030488 k( 146) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030488 k( 147) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030488 k( 151) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030488 k( 152) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030488 k( 153) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030488 k( 154) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030488 k( 155) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030488 k( 156) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030488 k( 157) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030488 k( 158) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030488 k( 159) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030488 k( 160) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030488 k( 161) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030488 k( 162) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030488 k( 163) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030488 k( 164) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030488 k( 165) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030488 k( 166) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030488 k( 167) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030488 k( 168) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030488 k( 169) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030488 k( 170) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030488 k( 171) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030488 k( 172) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030488 k( 173) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030488 k( 174) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030488 k( 175) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030488 k( 176) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030488 k( 177) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030488 k( 178) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030488 k( 179) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030488 k( 180) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030488 k( 181) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030488 k( 182) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030488 k( 183) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030488 k( 184) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030488 k( 185) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030488 k( 186) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030488 k( 187) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030488 k( 188) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030488 k( 189) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030488 k( 190) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030488 k( 191) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030488 k( 192) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 193) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 194) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0030488 k( 195) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0030488 k( 196) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0030488 k( 197) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0030488 k( 198) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0030488 k( 199) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0030488 k( 200) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0030488 k( 201) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0030488 k( 202) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0030488 k( 203) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0030488 k( 204) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0030488 k( 205) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0030488 k( 206) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0030488 k( 207) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0030488 k( 208) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0030488 k( 209) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0030488 k( 210) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0030488 k( 211) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0030488 k( 212) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0030488 k( 213) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0030488 k( 214) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0030488 k( 215) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0030488 k( 216) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0030488 k( 217) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0030488 k( 218) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0030488 k( 219) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0030488 k( 220) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0030488 k( 221) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0030488 k( 222) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0030488 k( 223) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 224) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 225) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030488 k( 226) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030488 k( 227) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030488 k( 228) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030488 k( 229) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030488 k( 230) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030488 k( 231) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030488 k( 232) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030488 k( 233) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030488 k( 234) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030488 k( 235) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030488 k( 236) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030488 k( 237) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030488 k( 238) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030488 k( 239) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030488 k( 240) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030488 k( 241) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030488 k( 242) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 243) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 244) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030488 k( 245) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030488 k( 246) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030488 k( 247) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030488 k( 248) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030488 k( 249) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030488 k( 250) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030488 k( 251) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030488 k( 252) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030488 k( 253) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030488 k( 254) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030488 k( 255) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030488 k( 256) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030488 k( 257) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030488 k( 258) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030488 k( 259) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030488 k( 260) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030488 k( 261) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030488 k( 262) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030488 k( 263) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030488 k( 264) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030488 k( 265) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030488 k( 266) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030488 k( 267) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030488 k( 268) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030488 k( 269) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030488 k( 270) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030488 k( 271) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030488 k( 272) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030488 k( 273) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030488 k( 274) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030488 k( 275) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030488 k( 276) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030488 k( 277) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030488 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 279) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 280) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0030488 k( 281) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0030488 k( 282) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0030488 k( 283) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0030488 k( 284) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0030488 k( 285) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0030488 k( 286) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0030488 k( 287) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0030488 k( 288) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0030488 k( 289) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0030488 k( 290) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0030488 k( 291) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0030488 k( 292) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0030488 k( 293) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0030488 k( 294) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0030488 k( 295) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0030488 k( 296) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0030488 k( 297) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0030488 k( 298) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0030488 k( 299) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0030488 k( 300) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0030488 k( 301) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0030488 k( 302) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0030488 k( 303) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0030488 k( 304) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0030488 k( 305) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0030488 k( 306) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0030488 k( 307) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0030488 k( 308) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0030488 k( 309) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 310) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 311) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030488 k( 312) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030488 k( 313) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030488 k( 314) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030488 k( 315) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030488 k( 316) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030488 k( 317) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030488 k( 318) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030488 k( 319) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030488 k( 320) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030488 k( 321) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030488 k( 322) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030488 k( 323) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030488 k( 324) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030488 k( 325) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030488 k( 326) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030488 k( 327) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030488 k( 328) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0030488 k( 4) = ( 0.0306122 -0.0000000 0.0306122), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0000000 0.0408163), wk = 0.0030488 k( 6) = ( 0.0510204 -0.0000000 0.0510204), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0000000 0.0612245), wk = 0.0030488 k( 8) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0000000 0.0816327), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0030488 k( 11) = ( 0.1020408 -0.0000000 0.1020408), wk = 0.0030488 k( 12) = ( 0.1122449 -0.0000000 0.1122449), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0000000 0.1224490), wk = 0.0030488 k( 14) = ( 0.1326531 0.0000000 0.1326531), wk = 0.0030488 k( 15) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0000000 0.1632653), wk = 0.0030488 k( 18) = ( 0.1734694 -0.0000000 0.1734694), wk = 0.0030488 k( 19) = ( 0.1836735 0.0000000 0.1836735), wk = 0.0030488 k( 20) = ( 0.1938776 -0.0000000 0.1938775), wk = 0.0030488 k( 21) = ( 0.2040816 -0.0000000 0.2040816), wk = 0.0030488 k( 22) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0030488 k( 23) = ( 0.2244898 -0.0000000 0.2244898), wk = 0.0030488 k( 24) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0030488 k( 25) = ( 0.2448980 -0.0000000 0.2448980), wk = 0.0030488 k( 26) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0030488 k( 27) = ( 0.2653061 0.0000000 0.2653061), wk = 0.0030488 k( 28) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0030488 k( 29) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0030488 k( 30) = ( 0.2959184 -0.0000000 0.2959184), wk = 0.0030488 k( 31) = ( 0.3061224 0.0000000 0.3061224), wk = 0.0030488 k( 32) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0030488 k( 33) = ( 0.3265306 0.0000000 0.3265306), wk = 0.0030488 k( 34) = ( 0.3367347 -0.0000000 0.3367347), wk = 0.0030488 k( 35) = ( 0.3469388 -0.0000000 0.3469388), wk = 0.0030488 k( 36) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0030488 k( 37) = ( 0.3673469 0.0000000 0.3673469), wk = 0.0030488 k( 38) = ( 0.3775510 -0.0000000 0.3775510), wk = 0.0030488 k( 39) = ( 0.3877551 -0.0000000 0.3877551), wk = 0.0030488 k( 40) = ( 0.3979592 -0.0000000 0.3979592), wk = 0.0030488 k( 41) = ( 0.4081633 -0.0000000 0.4081633), wk = 0.0030488 k( 42) = ( 0.4183674 -0.0000000 0.4183674), wk = 0.0030488 k( 43) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0030488 k( 44) = ( 0.4387755 0.0000000 0.4387755), wk = 0.0030488 k( 45) = ( 0.4489796 -0.0000000 0.4489796), wk = 0.0030488 k( 46) = ( 0.4591837 -0.0000000 0.4591837), wk = 0.0030488 k( 47) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0030488 k( 48) = ( 0.4795918 -0.0000000 0.4795918), wk = 0.0030488 k( 49) = ( 0.4897959 -0.0000000 0.4897959), wk = 0.0030488 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030488 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030488 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030488 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030488 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030488 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030488 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030488 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030488 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030488 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030488 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030488 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030488 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030488 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030488 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030488 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030488 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030488 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030488 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030488 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030488 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030488 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030488 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030488 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030488 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030488 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030488 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030488 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030488 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030488 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030488 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030488 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030488 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030488 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030488 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030488 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030488 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030488 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030488 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030488 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030488 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030488 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030488 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030488 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030488 k( 100) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030488 k( 101) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030488 k( 102) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030488 k( 103) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030488 k( 104) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030488 k( 105) = ( 0.3100962 0.3100962 0.6201923), wk = 0.0030488 k( 106) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030488 k( 107) = ( 0.2956731 0.2956731 0.5913462), wk = 0.0030488 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030488 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030488 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030488 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030488 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030488 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030488 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030488 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030488 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030488 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030488 k( 118) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030488 k( 119) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030488 k( 120) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0030488 k( 121) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030488 k( 122) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030488 k( 123) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030488 k( 124) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030488 k( 125) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030488 k( 126) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030488 k( 127) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030488 k( 128) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030488 k( 129) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030488 k( 130) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030488 k( 131) = ( 0.1225962 0.1225962 0.2451923), wk = 0.0030488 k( 132) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030488 k( 133) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030488 k( 134) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030488 k( 135) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030488 k( 136) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030488 k( 137) = ( 0.0793269 0.0793269 0.1586539), wk = 0.0030488 k( 138) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030488 k( 139) = ( 0.0649038 0.0649039 0.1298077), wk = 0.0030488 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030488 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030488 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030488 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030488 k( 144) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030488 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030488 k( 146) = ( 0.0144231 0.0144231 0.0288461), wk = 0.0030488 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030488 k( 151) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030488 k( 152) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030488 k( 153) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030488 k( 154) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030488 k( 155) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030488 k( 156) = ( 0.0813954 0.0813954 0.0813953), wk = 0.0030488 k( 157) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030488 k( 158) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030488 k( 159) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030488 k( 160) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030488 k( 161) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030488 k( 162) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030488 k( 163) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030488 k( 164) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030488 k( 165) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030488 k( 166) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030488 k( 167) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030488 k( 168) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030488 k( 169) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030488 k( 170) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030488 k( 171) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030488 k( 172) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030488 k( 173) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030488 k( 174) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030488 k( 175) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030488 k( 176) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030488 k( 177) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030488 k( 178) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030488 k( 179) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030488 k( 180) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030488 k( 181) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030488 k( 182) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030488 k( 183) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030488 k( 184) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030488 k( 185) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0030488 k( 186) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030488 k( 187) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030488 k( 188) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030488 k( 189) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030488 k( 190) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030488 k( 191) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030488 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 194) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030488 k( 195) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030488 k( 196) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030488 k( 197) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030488 k( 198) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030488 k( 199) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030488 k( 200) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030488 k( 201) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030488 k( 202) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030488 k( 203) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030488 k( 204) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030488 k( 205) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030488 k( 206) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030488 k( 207) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030488 k( 208) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030488 k( 209) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030488 k( 210) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030488 k( 211) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030488 k( 212) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030488 k( 213) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030488 k( 214) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030488 k( 215) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030488 k( 216) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030488 k( 217) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030488 k( 218) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030488 k( 219) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030488 k( 220) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030488 k( 221) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030488 k( 222) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030488 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 224) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 225) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030488 k( 226) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030488 k( 227) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030488 k( 228) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030488 k( 229) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030488 k( 230) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030488 k( 231) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030488 k( 232) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030488 k( 233) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030488 k( 234) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030488 k( 235) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030488 k( 236) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030488 k( 237) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030488 k( 238) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030488 k( 239) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030488 k( 240) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030488 k( 241) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030488 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 243) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 244) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030488 k( 245) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030488 k( 246) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030488 k( 247) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030488 k( 248) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030488 k( 249) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030488 k( 250) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030488 k( 251) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030488 k( 252) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030488 k( 253) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030488 k( 254) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030488 k( 255) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030488 k( 256) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030488 k( 257) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030488 k( 258) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030488 k( 259) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030488 k( 260) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030488 k( 261) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030488 k( 262) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030488 k( 263) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030488 k( 264) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030488 k( 265) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030488 k( 266) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030488 k( 267) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030488 k( 268) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030488 k( 269) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030488 k( 270) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030488 k( 271) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030488 k( 272) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030488 k( 273) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030488 k( 274) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030488 k( 275) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030488 k( 276) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030488 k( 277) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030488 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 280) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030488 k( 281) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030488 k( 282) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030488 k( 283) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030488 k( 284) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030488 k( 285) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030488 k( 286) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030488 k( 287) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030488 k( 288) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030488 k( 289) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030488 k( 290) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030488 k( 291) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030488 k( 292) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030488 k( 293) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030488 k( 294) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030488 k( 295) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030488 k( 296) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030488 k( 297) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030488 k( 298) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030488 k( 299) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030488 k( 300) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030488 k( 301) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030488 k( 302) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030488 k( 303) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030488 k( 304) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030488 k( 305) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030488 k( 306) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030488 k( 307) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030488 k( 308) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030488 k( 309) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 310) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 311) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030488 k( 312) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030488 k( 313) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030488 k( 314) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030488 k( 315) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030488 k( 316) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030488 k( 317) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030488 k( 318) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030488 k( 319) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030488 k( 320) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030488 k( 321) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030488 k( 322) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030488 k( 323) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030488 k( 324) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030488 k( 325) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030488 k( 326) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030488 k( 327) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030488 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 Dense grid: 44375 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 19603 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 134, 32) NL pseudopotentials 0.08 Mb ( 67, 82) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1234) G-vector shells 0.00 Mb ( 344) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 134, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.08 Mb ( 82, 2, 32) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./K2O.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.2 secs Computing kpt #: 7 total cpu time spent up to now is 3.4 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.3 secs Computing kpt #: 11 total cpu time spent up to now is 4.5 secs Computing kpt #: 12 total cpu time spent up to now is 4.7 secs Computing kpt #: 13 total cpu time spent up to now is 5.0 secs Computing kpt #: 14 total cpu time spent up to now is 5.2 secs Computing kpt #: 15 total cpu time spent up to now is 5.5 secs Computing kpt #: 16 total cpu time spent up to now is 5.7 secs Computing kpt #: 17 total cpu time spent up to now is 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.3 secs Computing kpt #: 19 total cpu time spent up to now is 6.5 secs Computing kpt #: 20 total cpu time spent up to now is 6.9 secs Computing kpt #: 21 total cpu time spent up to now is 7.1 secs Computing kpt #: 22 total cpu time spent up to now is 7.4 secs Computing kpt #: 23 total cpu time spent up to now is 7.7 secs Computing kpt #: 24 total cpu time spent up to now is 8.1 secs Computing kpt #: 25 total cpu time spent up to now is 8.5 secs Computing kpt #: 26 total cpu time spent up to now is 8.7 secs Computing kpt #: 27 total cpu time spent up to now is 9.1 secs Computing kpt #: 28 total cpu time spent up to now is 9.4 secs Computing kpt #: 29 total cpu time spent up to now is 9.6 secs Computing kpt #: 30 total cpu time spent up to now is 9.9 secs Computing kpt #: 31 total cpu time spent up to now is 10.1 secs Computing kpt #: 32 total cpu time spent up to now is 10.3 secs Computing kpt #: 33 total cpu time spent up to now is 10.6 secs Computing kpt #: 34 total cpu time spent up to now is 10.8 secs Computing kpt #: 35 total cpu time spent up to 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total cpu time spent up to now is 14.8 secs Computing kpt #: 52 total cpu time spent up to now is 15.1 secs Computing kpt #: 53 total cpu time spent up to now is 15.3 secs Computing kpt #: 54 total cpu time spent up to now is 15.5 secs Computing kpt #: 55 total cpu time spent up to now is 15.8 secs Computing kpt #: 56 total cpu time spent up to now is 16.0 secs Computing kpt #: 57 total cpu time spent up to now is 16.2 secs Computing kpt #: 58 total cpu time spent up to now is 16.5 secs Computing kpt #: 59 total cpu time spent up to now is 16.7 secs Computing kpt #: 60 total cpu time spent up to now is 17.0 secs Computing kpt #: 61 total cpu time spent up to now is 17.3 secs Computing kpt #: 62 total cpu time spent up to now is 17.6 secs Computing kpt #: 63 total cpu time spent up to now is 17.8 secs Computing kpt #: 64 total cpu time spent up to now is 18.1 secs Computing kpt #: 65 total cpu time spent up to now is 18.4 secs Computing kpt #: 66 total cpu time spent up to now is 18.7 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spent up to now is 22.6 secs Computing kpt #: 83 total cpu time spent up to now is 22.9 secs Computing kpt #: 84 total cpu time spent up to now is 23.1 secs Computing kpt #: 85 total cpu time spent up to now is 23.4 secs Computing kpt #: 86 total cpu time spent up to now is 23.7 secs Computing kpt #: 87 total cpu time spent up to now is 24.0 secs Computing kpt #: 88 total cpu time spent up to now is 24.3 secs Computing kpt #: 89 total cpu time spent up to now is 24.6 secs Computing kpt #: 90 total cpu time spent up to now is 24.9 secs Computing kpt #: 91 total cpu time spent up to now is 25.2 secs Computing kpt #: 92 total cpu time spent up to now is 25.5 secs Computing kpt #: 93 total cpu time spent up to now is 25.7 secs Computing kpt #: 94 total cpu time spent up to now is 26.0 secs Computing kpt #: 95 total cpu time spent up to now is 26.2 secs Computing kpt #: 96 total cpu time spent up to now is 26.5 secs Computing kpt #: 97 total cpu time spent up to now is 26.7 secs Computing kpt #: 98 total cpu time spent up to now is 27.0 secs Computing kpt #: 99 total cpu time spent up to now is 27.2 secs Computing kpt #: 100 total cpu time spent up to now is 27.5 secs Computing kpt #: 101 total cpu time spent up to now is 27.9 secs Computing kpt #: 102 total cpu time spent up to now is 28.3 secs Computing kpt #: 103 total cpu time spent up to now is 28.5 secs Computing kpt #: 104 total cpu time spent up to now is 28.8 secs Computing kpt #: 105 total cpu time spent up to now is 29.1 secs Computing kpt #: 106 total cpu time spent up to now is 29.3 secs Computing kpt #: 107 total cpu time spent up to now is 29.6 secs Computing kpt #: 108 total cpu time spent up to now is 29.9 secs Computing kpt #: 109 total cpu time spent up to now is 30.1 secs Computing kpt #: 110 total cpu time spent up to now is 30.3 secs Computing kpt #: 111 total cpu time spent up to now is 30.6 secs Computing kpt #: 112 total cpu time spent up to now is 30.9 secs Computing kpt #: 113 total cpu time spent up to now is 31.2 secs Computing kpt #: 114 total cpu time spent up to now is 31.5 secs Computing kpt #: 115 total cpu time spent up to now is 31.8 secs Computing kpt #: 116 total cpu time spent up to now is 32.0 secs Computing kpt #: 117 total cpu time spent up to now is 32.2 secs Computing kpt #: 118 total cpu time spent up to now is 32.5 secs Computing kpt #: 119 total cpu time spent up to now is 32.7 secs Computing kpt #: 120 total cpu time spent up to now is 33.0 secs Computing kpt #: 121 total cpu time spent up to now is 33.3 secs Computing kpt #: 122 total cpu time spent up to now is 33.5 secs Computing kpt #: 123 total cpu time spent up to now is 33.8 secs Computing kpt #: 124 total cpu time spent up to now is 34.0 secs Computing kpt #: 125 total cpu time spent up to now is 34.3 secs Computing kpt #: 126 total cpu time spent up to now is 34.6 secs Computing kpt #: 127 total cpu time spent up to now is 34.8 secs Computing kpt #: 128 total cpu time spent up to now is 35.1 secs Computing kpt #: 129 total cpu time spent up to now is 35.4 secs Computing kpt #: 130 total cpu time spent up to now is 35.7 secs Computing kpt #: 131 total cpu time spent up to now is 35.9 secs Computing kpt #: 132 total cpu time spent up to now is 36.2 secs Computing kpt #: 133 total cpu time spent up to now is 36.4 secs Computing kpt #: 134 total cpu time spent up to now is 36.7 secs Computing kpt #: 135 total cpu time spent up to now is 36.9 secs Computing kpt #: 136 total cpu time spent up to now is 37.2 secs Computing kpt #: 137 total cpu time spent up to now is 37.4 secs Computing kpt #: 138 total cpu time spent up to now is 37.6 secs Computing kpt #: 139 total cpu time spent up to now is 37.8 secs Computing kpt #: 140 total cpu time spent up to now is 38.1 secs Computing kpt #: 141 total cpu time spent up to now is 38.4 secs Computing kpt #: 142 total cpu time spent up to now is 38.6 secs Computing kpt #: 143 total cpu time spent up to now is 38.9 secs Computing kpt #: 144 total cpu time spent up to now is 39.2 secs Computing kpt #: 145 total cpu time spent up to now is 39.5 secs Computing kpt #: 146 total cpu time spent up to now is 39.8 secs Computing kpt #: 147 total cpu time spent up to now is 40.1 secs Computing kpt #: 148 total cpu time spent up to now is 40.4 secs Computing kpt #: 149 total cpu time spent up to now is 40.6 secs Computing kpt #: 150 total cpu time spent up to now is 40.9 secs Computing kpt #: 151 total cpu time spent up to now is 41.2 secs Computing kpt #: 152 total cpu time spent up to now is 41.5 secs Computing kpt #: 153 total cpu time spent up to now is 41.7 secs Computing kpt #: 154 total cpu time spent up to now is 41.9 secs Computing kpt #: 155 total cpu time spent up to now is 42.2 secs Computing kpt #: 156 total cpu time spent up to now is 42.4 secs Computing kpt #: 157 total cpu time spent up to now is 42.7 secs Computing kpt #: 158 total cpu time spent up to now is 42.9 secs Computing kpt #: 159 total cpu time spent up to now is 43.1 secs Computing kpt #: 160 total cpu time spent up to now is 43.3 secs Computing kpt #: 161 total cpu time spent up to now is 43.6 secs Computing kpt #: 162 total cpu time spent up to now is 43.8 secs Computing kpt #: 163 total cpu time spent up to now is 44.0 secs Computing kpt #: 164 total cpu time spent up to now is 44.2 secs Computing kpt #: 165 total cpu time spent up to now is 44.4 secs Computing kpt #: 166 total cpu time spent up to now is 44.7 secs Computing kpt #: 167 total cpu time spent up to now is 44.9 secs Computing kpt #: 168 total cpu time spent up to now is 45.3 secs Computing kpt #: 169 total cpu time spent up to now is 45.5 secs Computing kpt #: 170 total cpu time spent up to now is 45.7 secs Computing kpt #: 171 total cpu time spent up to now is 46.0 secs Computing kpt #: 172 total cpu time spent up to now is 46.2 secs Computing kpt #: 173 total cpu time spent up to now is 46.4 secs Computing kpt #: 174 total cpu time spent up to now is 46.6 secs Computing kpt #: 175 total cpu time spent up to now is 46.8 secs Computing kpt #: 176 total cpu time spent up to now is 47.1 secs Computing kpt #: 177 total cpu time spent up to now is 47.3 secs Computing kpt #: 178 total cpu time spent up to now is 47.5 secs Computing kpt #: 179 total cpu time spent up to now is 47.7 secs Computing kpt #: 180 total cpu time spent up to now is 47.9 secs Computing kpt #: 181 total cpu time spent up to now is 48.1 secs Computing kpt #: 182 total cpu time spent up to now is 48.3 secs Computing kpt #: 183 total cpu time spent up to now is 48.6 secs Computing kpt #: 184 total cpu time spent up to now is 48.8 secs Computing kpt #: 185 total cpu time spent up to now is 49.0 secs Computing kpt #: 186 total cpu time spent up to now is 49.2 secs Computing kpt #: 187 total cpu time spent up to now is 49.4 secs Computing kpt #: 188 total cpu time spent up to now is 49.7 secs Computing kpt #: 189 total cpu time spent up to now is 49.9 secs Computing kpt #: 190 total cpu time spent up to now is 50.1 secs Computing kpt #: 191 total cpu time spent up to now is 50.3 secs Computing kpt #: 192 total cpu time spent up to now is 50.6 secs Computing kpt #: 193 total cpu time spent up to now is 50.8 secs Computing kpt #: 194 total cpu time spent up to now is 51.0 secs Computing kpt #: 195 total cpu time spent up to now is 51.2 secs Computing kpt #: 196 total cpu time spent up to now is 51.4 secs Computing kpt #: 197 total cpu time spent up to now is 51.7 secs Computing kpt #: 198 total cpu time spent up to now is 51.9 secs Computing kpt #: 199 total cpu time spent up to now is 52.1 secs Computing kpt #: 200 total cpu time spent up to now is 52.3 secs Computing kpt #: 201 total cpu time spent up to now is 52.5 secs Computing kpt #: 202 total cpu time spent up to now is 52.8 secs Computing kpt #: 203 total cpu time spent up to now is 53.0 secs Computing kpt #: 204 total cpu time spent up to now is 53.2 secs Computing kpt #: 205 total cpu time spent up to now is 53.5 secs Computing kpt #: 206 total cpu time spent up to now is 53.7 secs Computing kpt #: 207 total cpu time spent up to now is 54.0 secs Computing kpt #: 208 total cpu time spent up to now is 54.2 secs Computing kpt #: 209 total cpu time spent up to now is 54.5 secs Computing kpt #: 210 total cpu time spent up to now is 54.7 secs Computing kpt #: 211 total cpu time spent up to now is 55.0 secs Computing kpt #: 212 total cpu time spent up to now is 55.3 secs Computing kpt #: 213 total cpu time spent up to now is 55.6 secs Computing kpt #: 214 total cpu time spent up to now is 55.9 secs Computing kpt #: 215 total cpu time spent up to now is 56.2 secs Computing kpt #: 216 total cpu time spent up to now is 56.4 secs Computing kpt #: 217 total cpu time spent up to now is 56.6 secs Computing kpt #: 218 total cpu time spent up to now is 56.9 secs Computing kpt #: 219 total cpu time spent up to now is 57.2 secs Computing kpt #: 220 total cpu time spent up to now is 57.5 secs Computing kpt #: 221 total cpu time spent up to now is 57.8 secs Computing kpt #: 222 total cpu time spent up to now is 58.0 secs Computing kpt #: 223 total cpu time spent up to now is 58.3 secs Computing kpt #: 224 total cpu time spent up to now is 58.5 secs Computing kpt #: 225 total cpu time spent up to now is 58.8 secs Computing kpt #: 226 total cpu time spent up to now is 59.1 secs Computing kpt #: 227 total cpu time spent up to now is 59.4 secs Computing kpt #: 228 total cpu time spent up to now is 59.6 secs Computing kpt #: 229 total cpu time spent up to now is 59.9 secs Computing kpt #: 230 total cpu time spent up to now is 60.2 secs Computing kpt #: 231 total cpu time spent up to now is 60.5 secs Computing kpt #: 232 total cpu time spent up to now is 60.8 secs Computing kpt #: 233 total cpu time spent up to now is 61.1 secs Computing kpt #: 234 total cpu time spent up to now is 61.4 secs Computing kpt #: 235 total cpu time spent up to now is 61.6 secs Computing kpt #: 236 total cpu time spent up to now is 61.9 secs Computing kpt #: 237 total cpu time spent up to now is 62.2 secs Computing kpt #: 238 total cpu time spent up to now is 62.4 secs Computing kpt #: 239 total cpu time spent up to now is 62.7 secs Computing kpt #: 240 total cpu time spent up to now is 62.9 secs Computing kpt #: 241 total cpu time spent up to now is 63.2 secs Computing kpt #: 242 total cpu time spent up to now is 63.4 secs Computing kpt #: 243 total cpu time spent up to now is 63.7 secs Computing kpt #: 244 total cpu time spent up to now is 63.9 secs Computing kpt #: 245 total cpu time spent up to now is 64.1 secs Computing kpt #: 246 total cpu time spent up to now is 64.4 secs Computing kpt #: 247 total cpu time spent up to now is 64.7 secs Computing kpt #: 248 total cpu time spent up to now is 64.9 secs Computing kpt #: 249 total cpu time spent up to now is 65.2 secs Computing kpt #: 250 total cpu time spent up to now is 65.4 secs Computing kpt #: 251 total cpu time spent up to now is 65.7 secs Computing kpt #: 252 total cpu time spent up to now is 66.0 secs Computing kpt #: 253 total cpu time spent up to now is 66.2 secs Computing kpt #: 254 total cpu time spent up to now is 66.5 secs Computing kpt #: 255 total cpu time spent up to now is 66.7 secs Computing kpt #: 256 total cpu time spent up to now is 67.0 secs Computing kpt #: 257 total cpu time spent up to now is 67.3 secs Computing kpt #: 258 total cpu time spent up to now is 67.5 secs Computing kpt #: 259 total cpu time spent up to now is 67.8 secs Computing kpt #: 260 total cpu time spent up to now is 68.0 secs Computing kpt #: 261 total cpu time spent up to now is 68.3 secs Computing kpt #: 262 total cpu time spent up to now is 68.6 secs Computing kpt #: 263 total cpu time spent up to now is 68.8 secs Computing kpt #: 264 total cpu time spent up to now is 69.1 secs Computing kpt #: 265 total cpu time spent up to now is 69.4 secs Computing kpt #: 266 total cpu time spent up to now is 69.6 secs Computing kpt #: 267 total cpu time spent up to now is 69.9 secs Computing kpt #: 268 total cpu time spent up to now is 70.1 secs Computing kpt #: 269 total cpu time spent up to now is 70.3 secs Computing kpt #: 270 total cpu time spent up to now is 70.5 secs Computing kpt #: 271 total cpu time spent up to now is 70.7 secs Computing kpt #: 272 total cpu time spent up to now is 71.0 secs Computing kpt #: 273 total cpu time spent up to now is 71.2 secs Computing kpt #: 274 total cpu time spent up to now is 71.4 secs Computing kpt #: 275 total cpu time spent up to now is 71.6 secs Computing kpt #: 276 total cpu time spent up to now is 71.9 secs Computing kpt #: 277 total cpu time spent up to now is 72.1 secs Computing kpt #: 278 total cpu time spent up to now is 72.3 secs Computing kpt #: 279 total cpu time spent up to now is 72.5 secs Computing kpt #: 280 total cpu time spent up to now is 72.8 secs Computing kpt #: 281 total cpu time spent up to now is 73.0 secs Computing kpt #: 282 total cpu time spent up to now is 73.2 secs Computing kpt #: 283 total cpu time spent up to now is 73.4 secs Computing kpt #: 284 total cpu time spent up to now is 73.6 secs Computing kpt #: 285 total cpu time spent up to now is 73.9 secs Computing kpt #: 286 total cpu time spent up to now is 74.1 secs Computing kpt #: 287 total cpu time spent up to now is 74.3 secs Computing kpt #: 288 total cpu time spent up to now is 74.6 secs Computing kpt #: 289 total cpu time spent up to now is 74.8 secs Computing kpt #: 290 total cpu time spent up to now is 75.0 secs Computing kpt #: 291 total cpu time spent up to now is 75.2 secs Computing kpt #: 292 total cpu time spent up to now is 75.5 secs Computing kpt #: 293 total cpu time spent up to now is 75.8 secs Computing kpt #: 294 total cpu time spent up to now is 76.0 secs Computing kpt #: 295 total cpu time spent up to now is 76.2 secs Computing kpt #: 296 total cpu time spent up to now is 76.6 secs Computing kpt #: 297 total cpu time spent up to now is 76.8 secs Computing kpt #: 298 total cpu time spent up to now is 77.1 secs Computing kpt #: 299 total cpu time spent up to now is 77.4 secs Computing kpt #: 300 total cpu time spent up to now is 77.6 secs Computing kpt #: 301 total cpu time spent up to now is 77.9 secs Computing kpt #: 302 total cpu time spent up to now is 78.1 secs Computing kpt #: 303 total cpu time spent up to now is 78.4 secs Computing kpt #: 304 total cpu time spent up to now is 78.7 secs Computing kpt #: 305 total cpu time spent up to now is 79.0 secs Computing kpt #: 306 total cpu time spent up to now is 79.3 secs Computing kpt #: 307 total cpu time spent up to now is 79.5 secs Computing kpt #: 308 total cpu time spent up to now is 79.7 secs Computing kpt #: 309 total cpu time spent up to now is 80.0 secs Computing kpt #: 310 total cpu time spent up to now is 80.2 secs Computing kpt #: 311 total cpu time spent up to now is 80.5 secs Computing kpt #: 312 total cpu time spent up to now is 80.7 secs Computing kpt #: 313 total cpu time spent up to now is 80.9 secs Computing kpt #: 314 total cpu time spent up to now is 81.2 secs Computing kpt #: 315 total cpu time spent up to now is 81.4 secs Computing kpt #: 316 total cpu time spent up to now is 81.7 secs Computing kpt #: 317 total cpu time spent up to now is 81.9 secs Computing kpt #: 318 total cpu time spent up to now is 82.1 secs Computing kpt #: 319 total cpu time spent up to now is 82.4 secs Computing kpt #: 320 total cpu time spent up to now is 82.6 secs Computing kpt #: 321 total cpu time spent up to now is 82.8 secs Computing kpt #: 322 total cpu time spent up to now is 83.0 secs Computing kpt #: 323 total cpu time spent up to now is 83.3 secs Computing kpt #: 324 total cpu time spent up to now is 83.5 secs Computing kpt #: 325 total cpu time spent up to now is 83.7 secs Computing kpt #: 326 total cpu time spent up to now is 84.0 secs Computing kpt #: 327 total cpu time spent up to now is 84.2 secs Computing kpt #: 328 total cpu time spent up to now is 84.5 secs ethr = 4.17E-08, avg # of iterations = 23.0 total cpu time spent up to now is 84.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -24.7009 -24.7009 -24.3407 -24.3407 -9.3539 -9.3539 -8.5207 -8.5207 -8.2656 -8.2656 -8.2656 -8.2656 -7.8775 -7.8775 -7.6030 -7.6030 -7.6030 -7.6030 4.5116 4.5116 4.5385 4.5385 4.5385 4.5385 6.7823 6.7823 10.4357 10.4357 10.4357 10.4357 11.8564 11.8565 k = 0.0102-0.0059 0.0083 ( 2433 PWs) bands (ev): -24.7008 -24.7008 -24.3408 -24.3408 -9.3544 -9.3544 -8.5206 -8.5206 -8.2658 -8.2658 -8.2651 -8.2651 -7.8775 -7.8775 -7.6032 -7.6032 -7.6028 -7.6028 4.5116 4.5116 4.5379 4.5379 4.5391 4.5391 6.7862 6.7862 10.4365 10.4365 10.4366 10.4366 11.8562 11.8565 k = 0.0204-0.0118 0.0167 ( 2433 PWs) bands (ev): -24.7004 -24.7004 -24.3412 -24.3412 -9.3561 -9.3561 -8.5201 -8.5201 -8.2663 -8.2663 -8.2636 -8.2636 -7.8777 -7.8777 -7.6040 -7.6040 -7.6025 -7.6025 4.5110 4.5110 4.5363 4.5363 4.5407 4.5407 6.7977 6.7977 10.4388 10.4388 10.4391 10.4391 11.8542 11.8545 k = 0.0306-0.0177 0.0250 ( 2433 PWs) bands (ev): -24.6997 -24.6997 -24.3418 -24.3418 -9.3588 -9.3588 -8.5195 -8.5195 -8.2673 -8.2673 -8.2611 -8.2611 -7.8779 -7.8779 -7.6054 -7.6054 -7.6020 -7.6020 4.5088 4.5088 4.5350 4.5350 4.5433 4.5433 6.8169 6.8169 10.4423 10.4423 10.4432 10.4432 11.8478 11.8479 k = 0.0408-0.0236 0.0333 ( 2433 PWs) bands (ev): -24.6988 -24.6988 -24.3426 -24.3426 -9.3626 -9.3626 -8.5187 -8.5187 -8.2687 -8.2687 -8.2576 -8.2576 -7.8782 -7.8782 -7.6072 -7.6072 -7.6012 -7.6012 4.5038 4.5038 4.5354 4.5354 4.5470 4.5470 6.8434 6.8434 10.4469 10.4469 10.4490 10.4490 11.8380 11.8380 k = 0.0510-0.0295 0.0417 ( 2433 PWs) bands (ev): -24.6976 -24.6976 -24.3436 -24.3436 -9.3676 -9.3676 -8.5177 -8.5177 -8.2705 -8.2705 -8.2530 -8.2530 -7.8787 -7.8787 -7.6095 -7.6095 -7.6002 -7.6002 4.4955 4.4955 4.5381 4.5381 4.5517 4.5517 6.8769 6.8769 10.4520 10.4520 10.4563 10.4563 11.8260 11.8260 k = 0.0612-0.0353 0.0500 ( 2441 PWs) bands (ev): -24.6962 -24.6962 -24.3449 -24.3449 -9.3736 -9.3736 -8.5168 -8.5168 -8.2726 -8.2726 -8.2473 -8.2473 -7.8793 -7.8793 -7.6122 -7.6122 -7.5990 -7.5990 4.4846 4.4846 4.5426 4.5426 4.5574 4.5574 6.9173 6.9173 10.4572 10.4572 10.4654 10.4654 11.8126 11.8126 k = 0.0714-0.0412 0.0583 ( 2449 PWs) bands (ev): -24.6946 -24.6946 -24.3464 -24.3464 -9.3806 -9.3806 -8.5158 -8.5158 -8.2751 -8.2751 -8.2404 -8.2404 -7.8800 -7.8800 -7.6153 -7.6153 -7.5977 -7.5977 4.4717 4.4717 4.5486 4.5486 4.5641 4.5641 6.9641 6.9641 10.4617 10.4617 10.4760 10.4760 11.7990 11.7990 k = 0.0816-0.0471 0.0667 ( 2453 PWs) bands (ev): -24.6927 -24.6927 -24.3481 -24.3481 -9.3887 -9.3887 -8.5150 -8.5150 -8.2780 -8.2780 -8.2321 -8.2321 -7.8809 -7.8809 -7.6187 -7.6187 -7.5961 -7.5961 4.4574 4.4574 4.5559 4.5559 4.5717 4.5717 7.0169 7.0169 10.4647 10.4647 10.4881 10.4881 11.7862 11.7862 k = 0.0918-0.0530 0.0750 ( 2457 PWs) bands (ev): -24.6906 -24.6906 -24.3500 -24.3500 -9.3979 -9.3979 -8.5144 -8.5144 -8.2812 -8.2812 -8.2225 -8.2225 -7.8820 -7.8820 -7.6224 -7.6224 -7.5943 -7.5943 4.4419 4.4419 4.5642 4.5642 4.5802 4.5802 7.0753 7.0753 10.4654 10.4654 10.5018 10.5018 11.7754 11.7754 k = 0.1020-0.0589 0.0833 ( 2457 PWs) bands (ev): -24.6882 -24.6882 -24.3520 -24.3520 -9.4080 -9.4080 -8.5141 -8.5141 -8.2847 -8.2847 -8.2114 -8.2114 -7.8834 -7.8834 -7.6263 -7.6263 -7.5924 -7.5924 4.4258 4.4258 4.5735 4.5735 4.5895 4.5895 7.1389 7.1389 10.4629 10.4629 10.5171 10.5171 11.7679 11.7679 k = 0.1122-0.0648 0.0916 ( 2473 PWs) bands (ev): -24.6857 -24.6857 -24.3543 -24.3543 -9.4191 -9.4191 -8.5142 -8.5142 -8.2886 -8.2886 -8.1990 -8.1990 -7.8849 -7.8849 -7.6302 -7.6302 -7.5902 -7.5902 4.4092 4.4092 4.5836 4.5836 4.5997 4.5997 7.2073 7.2073 10.4562 10.4562 10.5338 10.5338 11.7648 11.7648 k = 0.1224-0.0707 0.1000 ( 2461 PWs) bands (ev): -24.6829 -24.6829 -24.3567 -24.3567 -9.4311 -9.4311 -8.5146 -8.5146 -8.2927 -8.2927 -8.1851 -8.1851 -7.8867 -7.8867 -7.6342 -7.6342 -7.5879 -7.5879 4.3925 4.3925 4.5946 4.5946 4.6106 4.6106 7.2801 7.2801 10.4445 10.4445 10.5519 10.5519 11.7674 11.7674 k = 0.1327-0.0766 0.1083 ( 2469 PWs) bands (ev): -24.6800 -24.6800 -24.3593 -24.3593 -9.4441 -9.4441 -8.5155 -8.5155 -8.2972 -8.2972 -8.1698 -8.1698 -7.8888 -7.8888 -7.6382 -7.6382 -7.5855 -7.5855 4.3758 4.3758 4.6063 4.6063 4.6221 4.6221 7.3567 7.3567 10.4274 10.4274 10.5715 10.5715 11.7765 11.7765 k = 0.1429-0.0825 0.1166 ( 2461 PWs) bands (ev): -24.6769 -24.6769 -24.3620 -24.3620 -9.4579 -9.4579 -8.5168 -8.5168 -8.3018 -8.3018 -8.1531 -8.1531 -7.8912 -7.8912 -7.6420 -7.6420 -7.5829 -7.5829 4.3595 4.3595 4.6186 4.6186 4.6344 4.6344 7.4368 7.4368 10.4044 10.4044 10.5924 10.5924 11.7926 11.7926 k = 0.1531-0.0884 0.1250 ( 2461 PWs) bands (ev): -24.6736 -24.6736 -24.3649 -24.3649 -9.4725 -9.4725 -8.5185 -8.5185 -8.3067 -8.3067 -8.1352 -8.1352 -7.8939 -7.8939 -7.6456 -7.6456 -7.5801 -7.5801 4.3436 4.3436 4.6316 4.6316 4.6472 4.6472 7.5200 7.5200 10.3757 10.3757 10.6146 10.6146 11.8161 11.8161 k = 0.1633-0.0943 0.1333 ( 2461 PWs) bands (ev): -24.6701 -24.6701 -24.3680 -24.3680 -9.4879 -9.4879 -8.5207 -8.5207 -8.3118 -8.3118 -8.1160 -8.1160 -7.8970 -7.8970 -7.6491 -7.6491 -7.5772 -7.5772 4.3283 4.3283 4.6451 4.6451 4.6605 4.6605 7.6057 7.6057 10.3417 10.3417 10.6380 10.6380 11.8469 11.8469 k = 0.1735-0.1002 0.1416 ( 2465 PWs) bands (ev): -24.6665 -24.6665 -24.3711 -24.3711 -9.5040 -9.5040 -8.5233 -8.5233 -8.3171 -8.3171 -8.0956 -8.0956 -7.9003 -7.9003 -7.6522 -7.6522 -7.5742 -7.5742 4.3138 4.3138 4.6590 4.6590 4.6742 4.6742 7.6934 7.6934 10.3028 10.3028 10.6627 10.6627 11.8847 11.8847 k = 0.1837-0.1060 0.1500 ( 2457 PWs) bands (ev): -24.6628 -24.6628 -24.3743 -24.3743 -9.5208 -9.5208 -8.5262 -8.5262 -8.3225 -8.3225 -8.0741 -8.0741 -7.9040 -7.9040 -7.6551 -7.6551 -7.5711 -7.5711 4.3001 4.3001 4.6734 4.6734 4.6883 4.6883 7.7825 7.7825 10.2601 10.2601 10.6884 10.6884 11.9289 11.9289 k = 0.1939-0.1119 0.1583 ( 2457 PWs) bands (ev): -24.6590 -24.6590 -24.3776 -24.3776 -9.5382 -9.5382 -8.5295 -8.5295 -8.3281 -8.3281 -8.0517 -8.0517 -7.9080 -7.9080 -7.6576 -7.6576 -7.5679 -7.5679 4.2874 4.2874 4.6881 4.6881 4.7028 4.7028 7.8726 7.8726 10.2146 10.2146 10.7152 10.7152 11.9790 11.9790 k = 0.2041-0.1178 0.1666 ( 2449 PWs) bands (ev): -24.6550 -24.6550 -24.3810 -24.3810 -9.5561 -9.5561 -8.5331 -8.5331 -8.3339 -8.3339 -8.0283 -8.0283 -7.9122 -7.9122 -7.6597 -7.6597 -7.5646 -7.5646 4.2757 4.2757 4.7030 4.7030 4.7174 4.7174 7.9628 7.9628 10.1674 10.1674 10.7430 10.7430 12.0341 12.0341 k = 0.2143-0.1237 0.1750 ( 2453 PWs) bands (ev): -24.6510 -24.6510 -24.3845 -24.3845 -9.5745 -9.5745 -8.5369 -8.5369 -8.3397 -8.3397 -8.0043 -8.0043 -7.9167 -7.9167 -7.6614 -7.6614 -7.5612 -7.5612 4.2652 4.2652 4.7181 4.7181 4.7323 4.7323 8.0523 8.0523 10.1199 10.1199 10.7717 10.7717 12.0934 12.0934 k = 0.2245-0.1296 0.1833 ( 2453 PWs) bands (ev): -24.6469 -24.6469 -24.3880 -24.3880 -9.5932 -9.5932 -8.5410 -8.5410 -8.3456 -8.3456 -7.9795 -7.9795 -7.9214 -7.9214 -7.6628 -7.6628 -7.5578 -7.5578 4.2557 4.2557 4.7333 4.7333 4.7473 4.7473 8.1402 8.1402 10.0734 10.0734 10.8011 10.8011 12.1562 12.1562 k = 0.2347-0.1355 0.1916 ( 2453 PWs) bands (ev): -24.6428 -24.6428 -24.3916 -24.3916 -9.6123 -9.6123 -8.5454 -8.5454 -8.3516 -8.3516 -7.9542 -7.9542 -7.9263 -7.9263 -7.6638 -7.6638 -7.5544 -7.5544 4.2473 4.2473 4.7486 4.7486 4.7622 4.7622 8.2253 8.2253 10.0296 10.0296 10.8313 10.8313 12.2215 12.2215 k = 0.2449-0.1414 0.2000 ( 2445 PWs) bands (ev): -24.6386 -24.6386 -24.3951 -24.3951 -9.6316 -9.6316 -8.5498 -8.5498 -8.3575 -8.3575 -7.9314 -7.9314 -7.9285 -7.9285 -7.6645 -7.6645 -7.5509 -7.5509 4.2402 4.2402 4.7638 4.7638 4.7772 4.7772 8.3062 8.3062 9.9902 9.9902 10.8621 10.8621 12.2886 12.2887 k = 0.2551-0.1473 0.2083 ( 2429 PWs) bands (ev): -24.6344 -24.6344 -24.3987 -24.3987 -9.6510 -9.6510 -8.5544 -8.5544 -8.3635 -8.3635 -7.9364 -7.9364 -7.9025 -7.9025 -7.6648 -7.6648 -7.5474 -7.5474 4.2341 4.2341 4.7790 4.7790 4.7921 4.7921 8.3812 8.3812 9.9572 9.9572 10.8934 10.8934 12.3570 12.3574 k = 0.2653-0.1532 0.2166 ( 2453 PWs) bands (ev): -24.6303 -24.6303 -24.4023 -24.4023 -9.6705 -9.6705 -8.5591 -8.5591 -8.3695 -8.3695 -7.9417 -7.9417 -7.8763 -7.8763 -7.6649 -7.6649 -7.5440 -7.5440 4.2292 4.2292 4.7939 4.7939 4.8068 4.8068 8.4485 8.4485 9.9327 9.9327 10.9250 10.9250 12.3991 12.3996 k = 0.2755-0.1591 0.2250 ( 2453 PWs) bands (ev): -24.6261 -24.6261 -24.4058 -24.4058 -9.6900 -9.6900 -8.5639 -8.5639 -8.3754 -8.3754 -7.9469 -7.9469 -7.8500 -7.8500 -7.6647 -7.6647 -7.5405 -7.5405 4.2254 4.2254 4.8087 4.8087 4.8213 4.8213 8.5062 8.5062 9.9188 9.9188 10.9569 10.9569 12.4409 12.4414 k = 0.2857-0.1650 0.2333 ( 2453 PWs) bands (ev): -24.6220 -24.6220 -24.4093 -24.4093 -9.7093 -9.7093 -8.5686 -8.5686 -8.3813 -8.3813 -7.9521 -7.9521 -7.8238 -7.8238 -7.6643 -7.6643 -7.5371 -7.5371 4.2226 4.2226 4.8232 4.8232 4.8356 4.8356 8.5524 8.5524 9.9176 9.9176 10.9890 10.9890 12.4843 12.4857 k = 0.2959-0.1708 0.2416 ( 2449 PWs) bands (ev): -24.6179 -24.6179 -24.4127 -24.4127 -9.7285 -9.7285 -8.5734 -8.5734 -8.3870 -8.3870 -7.9572 -7.9572 -7.7978 -7.7978 -7.6636 -7.6636 -7.5337 -7.5337 4.2209 4.2209 4.8374 4.8374 4.8495 4.8495 8.5858 8.5858 9.9304 9.9304 11.0210 11.0210 12.5288 12.5310 k = 0.3061-0.1767 0.2499 ( 2449 PWs) bands (ev): -24.6139 -24.6139 -24.4161 -24.4161 -9.7474 -9.7474 -8.5781 -8.5781 -8.3926 -8.3926 -7.9623 -7.9623 -7.7721 -7.7721 -7.6628 -7.6628 -7.5304 -7.5304 4.2201 4.2201 4.8512 4.8512 4.8630 4.8630 8.6060 8.6060 9.9579 9.9579 11.0529 11.0529 12.4788 12.4788 k = 0.3163-0.1826 0.2583 ( 2457 PWs) bands (ev): -24.6100 -24.6100 -24.4194 -24.4194 -9.7659 -9.7659 -8.5827 -8.5827 -8.3981 -8.3981 -7.9673 -7.9673 -7.7469 -7.7469 -7.6619 -7.6619 -7.5272 -7.5272 4.2202 4.2202 4.8645 4.8645 4.8761 4.8761 8.6136 8.6136 9.9994 9.9994 11.0846 11.0846 12.3549 12.3549 k = 0.3265-0.1885 0.2666 ( 2457 PWs) bands (ev): -24.6062 -24.6062 -24.4226 -24.4226 -9.7840 -9.7840 -8.5873 -8.5873 -8.4034 -8.4034 -7.9721 -7.9721 -7.7222 -7.7222 -7.6608 -7.6608 -7.5240 -7.5240 4.2210 4.2210 4.8774 4.8774 4.8887 4.8887 8.6098 8.6098 10.0537 10.0537 11.1158 11.1158 12.2365 12.2365 k = 0.3367-0.1944 0.2749 ( 2453 PWs) bands (ev): -24.6026 -24.6026 -24.4257 -24.4257 -9.8015 -9.8015 -8.5917 -8.5917 -8.4086 -8.4086 -7.9766 -7.9766 -7.6981 -7.6981 -7.6596 -7.6596 -7.5210 -7.5210 4.2226 4.2226 4.8897 4.8897 4.9008 4.9008 8.5966 8.5966 10.1188 10.1188 11.1464 11.1464 12.1239 12.1239 k = 0.3469-0.2003 0.2833 ( 2453 PWs) bands (ev): -24.5990 -24.5990 -24.4286 -24.4286 -9.8184 -9.8184 -8.5960 -8.5960 -8.4135 -8.4135 -7.9811 -7.9811 -7.6748 -7.6748 -7.6584 -7.6584 -7.5180 -7.5180 4.2249 4.2249 4.9014 4.9014 4.9123 4.9123 8.5762 8.5762 10.1924 10.1924 11.1763 11.1763 12.0172 12.0172 k = 0.3571-0.2062 0.2916 ( 2453 PWs) bands (ev): -24.5957 -24.5957 -24.4314 -24.4314 -9.8346 -9.8346 -8.6001 -8.6001 -8.4182 -8.4182 -7.9853 -7.9853 -7.6572 -7.6572 -7.6524 -7.6524 -7.5153 -7.5153 4.2276 4.2276 4.9126 4.9126 4.9233 4.9233 8.5506 8.5506 10.2725 10.2725 11.2052 11.2052 11.9167 11.9167 k = 0.3673-0.2121 0.2999 ( 2442 PWs) bands (ev): -24.5924 -24.5924 -24.4341 -24.4341 -9.8500 -9.8500 -8.6040 -8.6040 -8.4226 -8.4226 -7.9892 -7.9892 -7.6558 -7.6558 -7.6310 -7.6310 -7.5126 -7.5126 4.2309 4.2309 4.9231 4.9231 4.9336 4.9336 8.5214 8.5214 10.3569 10.3569 11.2332 11.2332 11.8224 11.8224 k = 0.3776-0.2180 0.3083 ( 2450 PWs) bands (ev): -24.5893 -24.5893 -24.4367 -24.4367 -9.8646 -9.8646 -8.6077 -8.6077 -8.4268 -8.4268 -7.9929 -7.9929 -7.6546 -7.6546 -7.6109 -7.6109 -7.5100 -7.5100 4.2344 4.2344 4.9330 4.9330 4.9432 4.9432 8.4903 8.4903 10.4439 10.4439 11.2599 11.2599 11.7344 11.7344 k = 0.3878-0.2239 0.3166 ( 2446 PWs) bands (ev): -24.5865 -24.5865 -24.4390 -24.4390 -9.8783 -9.8783 -8.6111 -8.6111 -8.4307 -8.4307 -7.9963 -7.9963 -7.6533 -7.6533 -7.5919 -7.5919 -7.5077 -7.5077 4.2382 4.2382 4.9421 4.9421 4.9522 4.9522 8.4584 8.4584 10.5320 10.5320 11.2852 11.2852 11.6530 11.6530 k = 0.3980-0.2298 0.3249 ( 2446 PWs) bands (ev): -24.5838 -24.5838 -24.4412 -24.4412 -9.8910 -9.8910 -8.6144 -8.6144 -8.4343 -8.4343 -7.9995 -7.9995 -7.6521 -7.6521 -7.5741 -7.5741 -7.5055 -7.5055 4.2421 4.2421 4.9505 4.9505 4.9605 4.9605 8.4268 8.4268 10.6196 10.6196 11.3089 11.3089 11.5783 11.5783 k = 0.4082-0.2357 0.3333 ( 2446 PWs) bands (ev): -24.5814 -24.5814 -24.4432 -24.4432 -9.9027 -9.9027 -8.6174 -8.6174 -8.4377 -8.4377 -8.0024 -8.0024 -7.6510 -7.6510 -7.5578 -7.5578 -7.5035 -7.5035 4.2460 4.2460 4.9582 4.9582 4.9680 4.9680 8.3962 8.3962 10.7053 10.7053 11.3310 11.3310 11.5103 11.5103 k = 0.4184-0.2415 0.3416 ( 2446 PWs) bands (ev): -24.5792 -24.5792 -24.4450 -24.4450 -9.9133 -9.9133 -8.6201 -8.6201 -8.4407 -8.4407 -8.0050 -8.0050 -7.6500 -7.6500 -7.5430 -7.5430 -7.5016 -7.5016 4.2499 4.2499 4.9652 4.9652 4.9748 4.9748 8.3674 8.3674 10.7878 10.7878 11.3511 11.3511 11.4491 11.4491 k = 0.4286-0.2474 0.3499 ( 2446 PWs) bands (ev): -24.5772 -24.5772 -24.4467 -24.4467 -9.9227 -9.9227 -8.6225 -8.6225 -8.4434 -8.4434 -8.0073 -8.0073 -7.6490 -7.6490 -7.5297 -7.5297 -7.5000 -7.5000 4.2535 4.2535 4.9713 4.9713 4.9808 4.9808 8.3409 8.3409 10.8657 10.8657 11.3693 11.3693 11.3950 11.3950 k = 0.4388-0.2533 0.3583 ( 2454 PWs) bands (ev): -24.5755 -24.5755 -24.4481 -24.4481 -9.9311 -9.9311 -8.6246 -8.6246 -8.4457 -8.4457 -8.0094 -8.0094 -7.6482 -7.6482 -7.5180 -7.5180 -7.4986 -7.4986 4.2569 4.2569 4.9766 4.9766 4.9860 4.9860 8.3171 8.3171 10.9376 10.9376 11.3478 11.3478 11.3854 11.3854 k = 0.4490-0.2592 0.3666 ( 2466 PWs) bands (ev): -24.5741 -24.5741 -24.4493 -24.4493 -9.9382 -9.9382 -8.6264 -8.6264 -8.4477 -8.4477 -8.0111 -8.0111 -7.6475 -7.6475 -7.5081 -7.5081 -7.4974 -7.4974 4.2599 4.2599 4.9812 4.9812 4.9905 4.9905 8.2964 8.2964 11.0020 11.0020 11.3078 11.3078 11.3991 11.3991 k = 0.4592-0.2651 0.3749 ( 2466 PWs) bands (ev): -24.5729 -24.5729 -24.4503 -24.4503 -9.9440 -9.9440 -8.6279 -8.6279 -8.4494 -8.4494 -8.0125 -8.0125 -7.6468 -7.6468 -7.4999 -7.4999 -7.4964 -7.4964 4.2625 4.2625 4.9849 4.9849 4.9941 4.9941 8.2791 8.2791 11.0575 11.0575 11.2750 11.2750 11.4106 11.4106 k = 0.4694-0.2710 0.3833 ( 2454 PWs) bands (ev): -24.5719 -24.5719 -24.4511 -24.4511 -9.9486 -9.9486 -8.6291 -8.6291 -8.4507 -8.4507 -8.0136 -8.0136 -7.6463 -7.6463 -7.4956 -7.4956 -7.4933 -7.4933 4.2645 4.2645 4.9878 4.9878 4.9970 4.9970 8.2655 8.2655 11.1026 11.1026 11.2494 11.2494 11.4196 11.4196 k = 0.4796-0.2769 0.3916 ( 2454 PWs) bands (ev): -24.5712 -24.5712 -24.4516 -24.4516 -9.9518 -9.9518 -8.6299 -8.6299 -8.4516 -8.4516 -8.0144 -8.0144 -7.6460 -7.6460 -7.4950 -7.4950 -7.4887 -7.4887 4.2661 4.2661 4.9899 4.9899 4.9990 4.9990 8.2556 8.2556 11.1359 11.1359 11.2311 11.2311 11.4260 11.4260 k = 0.4898-0.2828 0.3999 ( 2450 PWs) bands (ev): -24.5708 -24.5708 -24.4520 -24.4520 -9.9538 -9.9538 -8.6304 -8.6304 -8.4521 -8.4521 -8.0148 -8.0148 -7.6458 -7.6458 -7.4947 -7.4947 -7.4860 -7.4860 4.2670 4.2670 4.9912 4.9912 5.0003 5.0003 8.2496 8.2496 11.1564 11.1564 11.2201 11.2201 11.4300 11.4300 k = 0.5000-0.2887 0.4082 ( 2450 PWs) bands (ev): -24.5707 -24.5707 -24.4521 -24.4521 -9.9545 -9.9545 -8.6306 -8.6306 -8.4523 -8.4523 -8.0150 -8.0150 -7.6457 -7.6457 -7.4946 -7.4946 -7.4850 -7.4850 4.2673 4.2673 4.9916 4.9916 5.0007 5.0007 8.2476 8.2476 11.1634 11.1634 11.2165 11.2165 11.4313 11.4313 k = 0.5000-0.2887 0.4082 ( 2450 PWs) bands (ev): -24.5707 -24.5707 -24.4521 -24.4521 -9.9545 -9.9545 -8.6306 -8.6306 -8.4523 -8.4523 -8.0150 -8.0150 -7.6457 -7.6457 -7.4946 -7.4946 -7.4850 -7.4850 4.2673 4.2673 4.9916 4.9916 5.0007 5.0007 8.2476 8.2476 11.1634 11.1634 11.2165 11.2165 11.4313 11.4313 k = 0.5000-0.2771 0.4164 ( 2450 PWs) bands (ev): -24.5706 -24.5706 -24.4522 -24.4522 -9.9544 -9.9544 -8.6303 -8.6303 -8.4522 -8.4522 -8.0147 -8.0147 -7.6461 -7.6461 -7.4950 -7.4950 -7.4851 -7.4851 4.2682 4.2682 4.9912 4.9912 5.0004 5.0004 8.2482 8.2482 11.1640 11.1640 11.2161 11.2161 11.4328 11.4328 k = 0.5000-0.2656 0.4246 ( 2450 PWs) bands (ev): -24.5702 -24.5702 -24.4525 -24.4525 -9.9541 -9.9541 -8.6295 -8.6295 -8.4518 -8.4518 -8.0137 -8.0137 -7.6474 -7.6474 -7.4964 -7.4964 -7.4853 -7.4853 4.2707 4.2707 4.9901 4.9901 4.9995 4.9995 8.2501 8.2501 11.1658 11.1658 11.2149 11.2149 11.4374 11.4374 k = 0.5000-0.2540 0.4327 ( 2454 PWs) bands (ev): -24.5697 -24.5697 -24.4531 -24.4531 -9.9537 -9.9537 -8.6283 -8.6283 -8.4509 -8.4509 -8.0121 -8.0121 -7.6496 -7.6496 -7.4987 -7.4987 -7.4857 -7.4857 4.2750 4.2750 4.9880 4.9880 4.9985 4.9985 8.2532 8.2532 11.1685 11.1685 11.2129 11.2129 11.4454 11.4454 k = 0.5000-0.2425 0.4409 ( 2456 PWs) bands (ev): -24.5689 -24.5689 -24.4540 -24.4540 -9.9531 -9.9531 -8.6268 -8.6268 -8.4496 -8.4496 -8.0099 -8.0099 -7.6529 -7.6529 -7.5016 -7.5016 -7.4862 -7.4862 4.2809 4.2809 4.9846 4.9846 4.9975 4.9975 8.2574 8.2574 11.1718 11.1718 11.2102 11.2102 11.4572 11.4572 k = 0.5000-0.2309 0.4491 ( 2448 PWs) bands (ev): -24.5678 -24.5678 -24.4550 -24.4550 -9.9523 -9.9523 -8.6251 -8.6251 -8.4474 -8.4474 -8.0073 -8.0073 -7.6572 -7.6572 -7.5052 -7.5052 -7.4869 -7.4869 4.2885 4.2885 4.9797 4.9797 4.9966 4.9966 8.2628 8.2628 11.1752 11.1752 11.2068 11.2068 11.4731 11.4731 k = 0.5000-0.2194 0.4572 ( 2452 PWs) bands (ev): -24.5666 -24.5666 -24.4563 -24.4563 -9.9515 -9.9515 -8.6236 -8.6236 -8.4443 -8.4443 -8.0042 -8.0042 -7.6629 -7.6629 -7.5090 -7.5090 -7.4877 -7.4877 4.2976 4.2976 4.9735 4.9735 4.9959 4.9959 8.2692 8.2692 11.1783 11.1783 11.2029 11.2029 11.4936 11.4936 k = 0.5000-0.2078 0.4654 ( 2448 PWs) bands (ev): -24.5651 -24.5651 -24.4578 -24.4578 -9.9504 -9.9504 -8.6222 -8.6222 -8.4399 -8.4399 -8.0007 -8.0007 -7.6699 -7.6699 -7.5130 -7.5130 -7.4886 -7.4886 4.3083 4.3083 4.9660 4.9660 4.9953 4.9953 8.2766 8.2766 11.1807 11.1807 11.1984 11.1984 11.5191 11.5191 k = 0.5000-0.1963 0.4736 ( 2436 PWs) bands (ev): -24.5635 -24.5635 -24.4595 -24.4595 -9.9493 -9.9493 -8.6212 -8.6212 -8.4340 -8.4340 -7.9971 -7.9971 -7.6785 -7.6785 -7.5169 -7.5169 -7.4897 -7.4897 4.3204 4.3204 4.9573 4.9573 4.9946 4.9946 8.2849 8.2849 11.1821 11.1821 11.1936 11.1936 11.5498 11.5498 k = 0.5000-0.1848 0.4817 ( 2436 PWs) bands (ev): -24.5616 -24.5616 -24.4614 -24.4614 -9.9480 -9.9480 -8.6209 -8.6209 -8.4265 -8.4265 -7.9933 -7.9933 -7.6888 -7.6888 -7.5205 -7.5205 -7.4909 -7.4909 4.3339 4.3339 4.9474 4.9474 4.9940 4.9940 8.2940 8.2940 11.1824 11.1824 11.1886 11.1886 11.5857 11.5857 k = 0.5000-0.1732 0.4899 ( 2436 PWs) bands (ev): -24.5595 -24.5595 -24.4636 -24.4636 -9.9467 -9.9467 -8.6212 -8.6212 -8.4170 -8.4170 -7.9895 -7.9895 -7.7008 -7.7008 -7.5237 -7.5237 -7.4923 -7.4923 4.3488 4.3488 4.9364 4.9364 4.9934 4.9934 8.3037 8.3037 11.1809 11.1809 11.1840 11.1840 11.6269 11.6269 k = 0.5000-0.1617 0.4981 ( 2436 PWs) bands (ev): -24.5573 -24.5573 -24.4659 -24.4659 -9.9453 -9.9453 -8.6222 -8.6222 -8.4057 -8.4057 -7.9858 -7.9858 -7.7145 -7.7145 -7.5265 -7.5265 -7.4937 -7.4937 4.3648 4.3648 4.9243 4.9243 4.9928 4.9928 8.3139 8.3139 11.1765 11.1765 11.1812 11.1812 11.6732 11.6732 k = 0.5000-0.1501 0.5062 ( 2442 PWs) bands (ev): -24.5549 -24.5549 -24.4684 -24.4684 -9.9440 -9.9440 -8.6238 -8.6238 -8.3925 -8.3925 -7.9824 -7.9824 -7.7296 -7.7296 -7.5286 -7.5286 -7.4952 -7.4952 4.3820 4.3820 4.9111 4.9111 4.9922 4.9922 8.3245 8.3245 11.1712 11.1712 11.1785 11.1785 11.7244 11.7244 k = 0.5000-0.1386 0.5144 ( 2440 PWs) bands (ev): -24.5523 -24.5523 -24.4711 -24.4711 -9.9425 -9.9425 -8.6260 -8.6260 -8.3775 -8.3775 -7.9794 -7.9794 -7.7462 -7.7462 -7.5302 -7.5302 -7.4969 -7.4969 4.4002 4.4002 4.8969 4.8969 4.9916 4.9916 8.3352 8.3352 11.1658 11.1658 11.1754 11.1754 11.7803 11.7803 k = 0.5000-0.1270 0.5226 ( 2442 PWs) bands (ev): -24.5495 -24.5495 -24.4739 -24.4739 -9.9411 -9.9411 -8.6286 -8.6286 -8.3607 -8.3607 -7.9771 -7.9771 -7.7637 -7.7637 -7.5313 -7.5313 -7.4986 -7.4986 4.4194 4.4194 4.8817 4.8817 4.9910 4.9910 8.3460 8.3460 11.1605 11.1605 11.1717 11.1717 11.8405 11.8405 k = 0.5000-0.1155 0.5307 ( 2436 PWs) bands (ev): -24.5466 -24.5466 -24.4769 -24.4769 -9.9397 -9.9397 -8.6315 -8.6315 -8.3423 -8.3423 -7.9758 -7.9758 -7.7819 -7.7819 -7.5319 -7.5319 -7.5004 -7.5004 4.4394 4.4394 4.8655 4.8655 4.9905 4.9905 8.3567 8.3567 11.1555 11.1555 11.1677 11.1677 11.9048 11.9048 k = 0.5000-0.1039 0.5389 ( 2440 PWs) bands (ev): -24.5435 -24.5435 -24.4800 -24.4800 -9.9383 -9.9383 -8.6346 -8.6346 -8.3225 -8.3225 -7.9757 -7.9757 -7.8004 -7.8004 -7.5320 -7.5320 -7.5022 -7.5022 4.4602 4.4602 4.8485 4.8485 4.9899 4.9899 8.3670 8.3670 11.1508 11.1508 11.1635 11.1635 11.9728 11.9728 k = 0.5000-0.0924 0.5471 ( 2446 PWs) bands (ev): -24.5404 -24.5404 -24.4833 -24.4833 -9.9370 -9.9370 -8.6377 -8.6377 -8.3014 -8.3014 -7.9775 -7.9775 -7.8184 -7.8184 -7.5318 -7.5318 -7.5042 -7.5042 4.4816 4.4816 4.8306 4.8306 4.9894 4.9894 8.3769 8.3769 11.1466 11.1466 11.1593 11.1593 12.0442 12.0442 k = 0.5000-0.0808 0.5552 ( 2446 PWs) bands (ev): -24.5371 -24.5371 -24.4866 -24.4866 -9.9359 -9.9359 -8.6408 -8.6408 -8.2792 -8.2792 -7.9817 -7.9817 -7.8352 -7.8352 -7.5312 -7.5312 -7.5062 -7.5062 4.5035 4.5035 4.8119 4.8119 4.9889 4.9889 8.3861 8.3861 11.1428 11.1428 11.1551 11.1551 12.1185 12.1185 k = 0.5000-0.0693 0.5634 ( 2446 PWs) bands (ev): -24.5337 -24.5337 -24.4901 -24.4901 -9.9348 -9.9348 -8.6436 -8.6436 -8.2561 -8.2561 -7.9889 -7.9889 -7.8500 -7.8500 -7.5303 -7.5303 -7.5082 -7.5082 4.5258 4.5258 4.7925 4.7925 4.9885 4.9885 8.3944 8.3944 11.1396 11.1396 11.1511 11.1511 12.1953 12.1953 k = 0.5000-0.0577 0.5715 ( 2450 PWs) bands (ev): -24.5302 -24.5302 -24.4936 -24.4936 -9.9338 -9.9338 -8.6461 -8.6461 -8.2324 -8.2324 -7.9998 -7.9998 -7.8620 -7.8620 -7.5293 -7.5293 -7.5101 -7.5101 4.5484 4.5484 4.7724 4.7724 4.9882 4.9882 8.4018 8.4018 11.1370 11.1370 11.1474 11.1474 12.2311 12.2311 k = 0.5000-0.0462 0.5797 ( 2450 PWs) bands (ev): -24.5266 -24.5266 -24.4972 -24.4972 -9.9331 -9.9331 -8.6483 -8.6483 -8.2081 -8.2081 -8.0142 -8.0142 -7.8711 -7.8711 -7.5280 -7.5280 -7.5121 -7.5121 4.5712 4.5712 4.7517 4.7517 4.9878 4.9878 8.4080 8.4080 11.1350 11.1350 11.1440 11.1440 12.2103 12.2103 k = 0.5000-0.0346 0.5879 ( 2456 PWs) bands (ev): -24.5231 -24.5231 -24.5008 -24.5008 -9.9324 -9.9324 -8.6500 -8.6500 -8.1838 -8.1838 -8.0316 -8.0316 -7.8773 -7.8773 -7.5267 -7.5267 -7.5140 -7.5140 4.5941 4.5941 4.7305 4.7305 4.9876 4.9876 8.4130 8.4130 11.1335 11.1335 11.1412 11.1412 12.1939 12.1939 k = 0.5000-0.0231 0.5960 ( 2468 PWs) bands (ev): -24.5194 -24.5194 -24.5046 -24.5046 -9.9320 -9.9320 -8.6513 -8.6513 -8.1602 -8.1602 -8.0510 -8.0510 -7.8813 -7.8813 -7.5254 -7.5254 -7.5158 -7.5158 4.6168 4.6168 4.7090 4.7090 4.9874 4.9874 8.4166 8.4166 11.1326 11.1326 11.1389 11.1389 12.1820 12.1820 k = 0.5000-0.0115 0.6042 ( 2468 PWs) bands (ev): -24.5157 -24.5157 -24.5083 -24.5083 -9.9317 -9.9317 -8.6521 -8.6521 -8.1391 -8.1391 -8.0696 -8.0696 -7.8835 -7.8835 -7.5242 -7.5242 -7.5172 -7.5172 4.6391 4.6391 4.6875 4.6875 4.9873 4.9873 8.4188 8.4188 11.1322 11.1322 11.1374 11.1374 12.1748 12.1748 k = 0.5000-0.0000 0.6124 ( 2468 PWs) bands (ev): -24.5120 -24.5120 -24.5120 -24.5120 -9.9316 -9.9316 -8.6524 -8.6524 -8.1285 -8.1285 -8.0795 -8.0795 -7.8842 -7.8842 -7.5237 -7.5237 -7.5178 -7.5178 4.6549 4.6549 4.6720 4.6720 4.9873 4.9873 8.4196 8.4196 11.1321 11.1321 11.1369 11.1369 12.1724 12.1724 k = 0.5000-0.0000 0.6124 ( 2468 PWs) bands (ev): -24.5120 -24.5120 -24.5120 -24.5120 -9.9316 -9.9316 -8.6524 -8.6524 -8.1285 -8.1285 -8.0795 -8.0795 -7.8842 -7.8842 -7.5237 -7.5237 -7.5178 -7.5178 4.6549 4.6549 4.6720 4.6720 4.9873 4.9873 8.4196 8.4196 11.1321 11.1321 11.1369 11.1369 12.1724 12.1724 k = 0.4931 0.0120 0.6124 ( 2468 PWs) bands (ev): -24.5145 -24.5145 -24.5095 -24.5095 -9.9315 -9.9315 -8.6520 -8.6520 -8.1344 -8.1344 -8.0742 -8.0742 -7.8836 -7.8836 -7.5243 -7.5243 -7.5176 -7.5176 4.6456 4.6456 4.6812 4.6812 4.9871 4.9871 8.4196 8.4196 11.1322 11.1322 11.1380 11.1380 12.1725 12.1725 k = 0.4861 0.0241 0.6124 ( 2461 PWs) bands (ev): -24.5169 -24.5169 -24.5071 -24.5071 -9.9311 -9.9311 -8.6508 -8.6508 -8.1481 -8.1481 -8.0622 -8.0622 -7.8819 -7.8819 -7.5262 -7.5262 -7.5170 -7.5170 4.6311 4.6311 4.6955 4.6955 4.9865 4.9865 8.4195 8.4195 11.1313 11.1313 11.1426 11.1426 12.1736 12.1736 k = 0.4792 0.0361 0.6124 ( 2456 PWs) bands (ev): -24.5192 -24.5192 -24.5048 -24.5048 -9.9306 -9.9306 -8.6488 -8.6488 -8.1651 -8.1651 -8.0480 -8.0480 -7.8791 -7.8791 -7.5292 -7.5292 -7.5162 -7.5162 4.6163 4.6163 4.7101 4.7101 4.9854 4.9854 8.4192 8.4192 11.1298 11.1298 11.1505 11.1505 12.1767 12.1767 k = 0.4722 0.0481 0.6124 ( 2454 PWs) bands (ev): -24.5214 -24.5214 -24.5026 -24.5026 -9.9299 -9.9299 -8.6460 -8.6460 -8.1835 -8.1835 -8.0335 -8.0335 -7.8752 -7.8752 -7.5333 -7.5333 -7.5152 -7.5152 4.6018 4.6018 4.7245 4.7245 4.9840 4.9840 8.4187 8.4187 11.1282 11.1282 11.1612 11.1612 12.1822 12.1822 k = 0.4653 0.0601 0.6124 ( 2452 PWs) bands (ev): -24.5234 -24.5234 -24.5006 -24.5006 -9.9291 -9.9291 -8.6424 -8.6424 -8.2027 -8.2027 -8.0194 -8.0194 -7.8703 -7.8703 -7.5382 -7.5382 -7.5142 -7.5142 4.5877 4.5877 4.7386 4.7386 4.9822 4.9822 8.4180 8.4180 11.1269 11.1269 11.1747 11.1747 12.1907 12.1907 k = 0.4583 0.0722 0.6124 ( 2452 PWs) bands (ev): -24.5253 -24.5253 -24.4987 -24.4987 -9.9282 -9.9282 -8.6380 -8.6380 -8.2222 -8.2222 -8.0062 -8.0062 -7.8642 -7.8642 -7.5439 -7.5439 -7.5132 -7.5132 4.5742 4.5742 4.7524 4.7524 4.9799 4.9799 8.4170 8.4170 11.1260 11.1260 11.1905 11.1905 12.2024 12.2024 k = 0.4514 0.0842 0.6124 ( 2452 PWs) bands (ev): -24.5271 -24.5271 -24.4970 -24.4970 -9.9272 -9.9272 -8.6328 -8.6328 -8.2419 -8.2419 -7.9940 -7.9940 -7.8568 -7.8568 -7.5504 -7.5504 -7.5123 -7.5123 4.5615 4.5615 4.7658 4.7658 4.9773 4.9773 8.4157 8.4157 11.1255 11.1255 11.2087 11.2087 12.2174 12.2174 k = 0.4444 0.0962 0.6124 ( 2448 PWs) bands (ev): -24.5287 -24.5287 -24.4954 -24.4954 -9.9263 -9.9263 -8.6268 -8.6268 -8.2614 -8.2614 -7.9833 -7.9833 -7.8483 -7.8483 -7.5576 -7.5576 -7.5115 -7.5115 4.5495 4.5495 4.7787 4.7787 4.9743 4.9743 8.4141 8.4141 11.1256 11.1256 11.2288 11.2288 12.2358 12.2358 k = 0.4375 0.1083 0.6124 ( 2438 PWs) bands (ev): -24.5302 -24.5302 -24.4939 -24.4939 -9.9253 -9.9253 -8.6202 -8.6202 -8.2806 -8.2806 -7.9739 -7.9739 -7.8386 -7.8386 -7.5654 -7.5654 -7.5107 -7.5107 4.5383 4.5383 4.7911 4.7911 4.9709 4.9709 8.4124 8.4124 11.1261 11.1261 11.2507 11.2507 12.1915 12.1915 k = 0.4306 0.1203 0.6124 ( 2440 PWs) bands (ev): -24.5315 -24.5315 -24.4926 -24.4926 -9.9243 -9.9243 -8.6129 -8.6129 -8.2993 -8.2993 -7.9660 -7.9660 -7.8279 -7.8279 -7.5737 -7.5737 -7.5100 -7.5100 4.5282 4.5282 4.8030 4.8030 4.9672 4.9672 8.4106 8.4106 11.1269 11.1269 11.2740 11.2740 12.1422 12.1422 k = 0.4236 0.1323 0.6124 ( 2447 PWs) bands (ev): -24.5327 -24.5327 -24.4915 -24.4915 -9.9235 -9.9235 -8.6052 -8.6052 -8.3174 -8.3174 -7.9595 -7.9595 -7.8166 -7.8166 -7.5824 -7.5824 -7.5093 -7.5093 4.5190 4.5190 4.8142 4.8142 4.9632 4.9632 8.4087 8.4087 11.1280 11.1280 11.2982 11.2982 12.0950 12.0950 k = 0.4167 0.1443 0.6124 ( 2448 PWs) bands (ev): -24.5338 -24.5338 -24.4905 -24.4905 -9.9226 -9.9226 -8.5972 -8.5972 -8.3345 -8.3345 -7.9543 -7.9543 -7.8050 -7.8050 -7.5914 -7.5914 -7.5087 -7.5087 4.5110 4.5110 4.8248 4.8248 4.9590 4.9590 8.4069 8.4069 11.1293 11.1293 11.3228 11.3228 12.0504 12.0504 k = 0.4097 0.1564 0.6124 ( 2446 PWs) bands (ev): -24.5346 -24.5346 -24.4896 -24.4896 -9.9219 -9.9219 -8.5892 -8.5892 -8.3503 -8.3503 -7.9501 -7.9501 -7.7934 -7.7934 -7.6003 -7.6003 -7.5082 -7.5082 4.5041 4.5041 4.8344 4.8344 4.9547 4.9547 8.4051 8.4051 11.1306 11.1306 11.3471 11.3471 12.0092 12.0092 k = 0.4028 0.1684 0.6124 ( 2434 PWs) bands (ev): -24.5353 -24.5353 -24.4889 -24.4889 -9.9213 -9.9213 -8.5814 -8.5814 -8.3645 -8.3645 -7.9468 -7.9468 -7.7823 -7.7823 -7.6089 -7.6089 -7.5078 -7.5078 4.4984 4.4984 4.8431 4.8431 4.9505 4.9505 8.4036 8.4036 11.1319 11.1319 11.3701 11.3701 11.9724 11.9724 k = 0.3958 0.1804 0.6124 ( 2435 PWs) bands (ev): -24.5359 -24.5359 -24.4884 -24.4884 -9.9208 -9.9208 -8.5744 -8.5744 -8.3765 -8.3765 -7.9444 -7.9444 -7.7725 -7.7725 -7.6167 -7.6167 -7.5075 -7.5075 4.4939 4.4939 4.8504 4.8504 4.9466 4.9466 8.4023 8.4023 11.1330 11.1330 11.3906 11.3906 11.9413 11.9413 k = 0.3889 0.1925 0.6124 ( 2435 PWs) bands (ev): -24.5363 -24.5363 -24.4880 -24.4880 -9.9205 -9.9205 -8.5687 -8.5687 -8.3858 -8.3858 -7.9427 -7.9427 -7.7645 -7.7645 -7.6231 -7.6231 -7.5073 -7.5073 4.4906 4.4906 4.8561 4.8561 4.9434 4.9434 8.4014 8.4014 11.1338 11.1338 11.4070 11.4070 11.9172 11.9172 k = 0.3819 0.2045 0.6124 ( 2435 PWs) bands (ev): -24.5366 -24.5366 -24.4877 -24.4877 -9.9202 -9.9202 -8.5649 -8.5649 -8.3917 -8.3917 -7.9418 -7.9418 -7.7593 -7.7593 -7.6274 -7.6274 -7.5072 -7.5072 4.4887 4.4887 4.8598 4.8598 4.9412 4.9412 8.4008 8.4008 11.1344 11.1344 11.4178 11.4178 11.9018 11.9018 k = 0.3750 0.2165 0.6124 ( 2430 PWs) bands (ev): -24.5366 -24.5366 -24.4876 -24.4876 -9.9202 -9.9202 -8.5636 -8.5636 -8.3938 -8.3938 -7.9414 -7.9414 -7.7574 -7.7574 -7.6290 -7.6290 -7.5071 -7.5071 4.4881 4.4881 4.8610 4.8610 4.9405 4.9405 8.4006 8.4006 11.1345 11.1345 11.4215 11.4215 11.8965 11.8965 k = 0.3750 0.2165 0.6124 ( 2430 PWs) bands (ev): -24.5366 -24.5366 -24.4876 -24.4876 -9.9202 -9.9202 -8.5636 -8.5636 -8.3938 -8.3938 -7.9414 -7.9414 -7.7574 -7.7574 -7.6290 -7.6290 -7.5071 -7.5071 4.4881 4.4881 4.8610 4.8610 4.9405 4.9405 8.4006 8.4006 11.1345 11.1345 11.4215 11.4215 11.8965 11.8965 k = 0.3678 0.2123 0.6006 ( 2434 PWs) bands (ev): -24.5328 -24.5328 -24.4916 -24.4916 -9.9153 -9.9153 -8.5577 -8.5577 -8.3851 -8.3851 -7.9370 -7.9370 -7.7671 -7.7671 -7.6433 -7.6433 -7.5095 -7.5095 4.5085 4.5085 4.8460 4.8460 4.9339 4.9339 8.4151 8.4151 11.1257 11.1257 11.4583 11.4583 11.9508 11.9508 k = 0.3606 0.2082 0.5888 ( 2432 PWs) bands (ev): -24.5289 -24.5289 -24.4958 -24.4958 -9.9100 -9.9100 -8.5518 -8.5518 -8.3756 -8.3756 -7.9336 -7.9336 -7.7760 -7.7760 -7.6581 -7.6581 -7.5120 -7.5120 4.5290 4.5290 4.8303 4.8303 4.9269 4.9269 8.4300 8.4300 11.1157 11.1157 11.4982 11.4982 12.0079 12.0079 k = 0.3534 0.2040 0.5770 ( 2440 PWs) bands (ev): -24.5248 -24.5248 -24.5002 -24.5002 -9.9042 -9.9042 -8.5460 -8.5460 -8.3655 -8.3655 -7.9317 -7.9317 -7.7840 -7.7840 -7.6734 -7.6734 -7.5146 -7.5146 4.5492 4.5492 4.8140 4.8140 4.9196 4.9196 8.4451 8.4451 11.1041 11.1041 11.5411 11.5411 12.0677 12.0678 k = 0.3462 0.1999 0.5653 ( 2444 PWs) bands (ev): -24.5205 -24.5205 -24.5047 -24.5047 -9.8980 -9.8980 -8.5404 -8.5404 -8.3547 -8.3547 -7.9316 -7.9316 -7.7904 -7.7904 -7.6890 -7.6890 -7.5173 -7.5173 4.5692 4.5692 4.7971 4.7971 4.9120 4.9120 8.4605 8.4605 11.0906 11.0906 11.5872 11.5872 12.1304 12.1304 k = 0.3389 0.1957 0.5535 ( 2440 PWs) bands (ev): -24.5162 -24.5162 -24.5093 -24.5093 -9.8912 -9.8912 -8.5348 -8.5348 -8.3431 -8.3431 -7.9335 -7.9335 -7.7950 -7.7950 -7.7049 -7.7049 -7.5200 -7.5200 4.5886 4.5886 4.7797 4.7797 4.9041 4.9041 8.4762 8.4762 11.0750 11.0750 11.6364 11.6364 12.1955 12.1956 k = 0.3317 0.1915 0.5417 ( 2440 PWs) bands (ev): -24.5141 -24.5141 -24.5116 -24.5116 -9.8840 -9.8840 -8.5295 -8.5295 -8.3309 -8.3309 -7.9378 -7.9378 -7.7977 -7.7977 -7.7211 -7.7211 -7.5227 -7.5227 4.6075 4.6075 4.7618 4.7618 4.8959 4.8959 8.4919 8.4919 11.0569 11.0569 11.6887 11.6887 12.1303 12.1303 k = 0.3245 0.1874 0.5299 ( 2440 PWs) bands (ev): -24.5190 -24.5190 -24.5070 -24.5070 -9.8763 -9.8763 -8.5243 -8.5243 -8.3181 -8.3181 -7.9443 -7.9443 -7.7984 -7.7984 -7.7375 -7.7375 -7.5255 -7.5255 4.6256 4.6256 4.7435 4.7435 4.8874 4.8874 8.5077 8.5077 11.0361 11.0361 11.7439 11.7439 12.0598 12.0598 k = 0.3173 0.1832 0.5182 ( 2440 PWs) bands (ev): -24.5241 -24.5241 -24.5023 -24.5023 -9.8681 -9.8681 -8.5194 -8.5194 -8.3046 -8.3046 -7.9529 -7.9529 -7.7977 -7.7977 -7.7539 -7.7539 -7.5283 -7.5283 4.6428 4.6428 4.7248 4.7248 4.8786 4.8786 8.5235 8.5235 11.0124 11.0124 11.8018 11.8018 11.9902 11.9902 k = 0.3101 0.1790 0.5064 ( 2448 PWs) bands (ev): -24.5292 -24.5292 -24.4975 -24.4975 -9.8593 -9.8593 -8.5146 -8.5146 -8.2907 -8.2907 -7.9631 -7.9631 -7.7963 -7.7963 -7.7696 -7.7696 -7.5311 -7.5311 4.6589 4.6589 4.7060 4.7060 4.8696 4.8696 8.5390 8.5390 10.9857 10.9857 11.8622 11.8622 11.9216 11.9216 k = 0.3029 0.1749 0.4946 ( 2451 PWs) bands (ev): -24.5344 -24.5344 -24.4926 -24.4926 -9.8500 -9.8500 -8.5101 -8.5101 -8.2763 -8.2763 -7.9746 -7.9746 -7.7983 -7.7983 -7.7809 -7.7809 -7.5340 -7.5340 4.6726 4.6726 4.6883 4.6883 4.8602 4.8602 8.5541 8.5541 10.9560 10.9560 11.8540 11.8540 11.9248 11.9248 k = 0.2957 0.1707 0.4828 ( 2451 PWs) bands (ev): -24.5398 -24.5398 -24.4876 -24.4876 -9.8402 -9.8402 -8.5058 -8.5058 -8.2614 -8.2614 -7.9871 -7.9871 -7.8104 -7.8104 -7.7815 -7.7815 -7.5368 -7.5368 4.6652 4.6652 4.6902 4.6902 4.8507 4.8507 8.5685 8.5685 10.9234 10.9234 11.7876 11.7876 11.9891 11.9891 k = 0.2885 0.1665 0.4711 ( 2447 PWs) bands (ev): -24.5452 -24.5452 -24.4826 -24.4826 -9.8299 -9.8299 -8.5018 -8.5018 -8.2462 -8.2462 -8.0002 -8.0002 -7.8265 -7.8265 -7.7774 -7.7774 -7.5396 -7.5396 4.6463 4.6463 4.7024 4.7024 4.8410 4.8410 8.5819 8.5819 10.8881 10.8881 11.7225 11.7225 12.0544 12.0544 k = 0.2812 0.1624 0.4593 ( 2447 PWs) bands (ev): -24.5507 -24.5507 -24.4775 -24.4775 -9.8190 -9.8190 -8.4980 -8.4980 -8.2306 -8.2306 -8.0138 -8.0138 -7.8436 -7.8436 -7.7722 -7.7722 -7.5424 -7.5424 4.6269 4.6269 4.7138 4.7138 4.8311 4.8311 8.5938 8.5938 10.8506 10.8506 11.6588 11.6588 12.1199 12.1199 k = 0.2740 0.1582 0.4475 ( 2451 PWs) bands (ev): -24.5562 -24.5562 -24.4723 -24.4723 -9.8076 -9.8076 -8.4945 -8.4945 -8.2149 -8.2149 -8.0276 -8.0276 -7.8609 -7.8609 -7.7665 -7.7665 -7.5451 -7.5451 4.6075 4.6075 4.7239 4.7239 4.8210 4.8210 8.6039 8.6039 10.8112 10.8112 11.5965 11.5965 12.1847 12.1847 k = 0.2668 0.1541 0.4357 ( 2443 PWs) bands (ev): -24.5618 -24.5618 -24.4671 -24.4671 -9.7957 -9.7957 -8.4913 -8.4913 -8.1990 -8.1990 -8.0414 -8.0414 -7.8782 -7.8782 -7.7606 -7.7606 -7.5477 -7.5477 4.5882 4.5882 4.7326 4.7326 4.8109 4.8109 8.6114 8.6114 10.7707 10.7707 11.5356 11.5356 12.2455 12.2455 k = 0.2596 0.1499 0.4240 ( 2439 PWs) bands (ev): -24.5674 -24.5674 -24.4619 -24.4619 -9.7833 -9.7833 -8.4884 -8.4884 -8.1831 -8.1831 -8.0552 -8.0552 -7.8956 -7.8956 -7.7546 -7.7546 -7.5503 -7.5503 4.5693 4.5693 4.7397 4.7397 4.8007 4.8007 8.6159 8.6159 10.7298 10.7298 11.4763 11.4763 12.1882 12.1882 k = 0.2524 0.1457 0.4122 ( 2437 PWs) bands (ev): -24.5730 -24.5730 -24.4567 -24.4567 -9.7704 -9.7704 -8.4857 -8.4857 -8.1673 -8.1673 -8.0686 -8.0686 -7.9129 -7.9129 -7.7486 -7.7486 -7.5527 -7.5527 4.5507 4.5507 4.7452 4.7452 4.7906 4.7906 8.6166 8.6166 10.6895 10.6895 11.4186 11.4186 12.1237 12.1237 k = 0.2452 0.1416 0.4004 ( 2437 PWs) bands (ev): -24.5786 -24.5786 -24.4515 -24.4515 -9.7570 -9.7570 -8.4834 -8.4834 -8.1521 -8.1521 -8.0812 -8.0812 -7.9301 -7.9301 -7.7426 -7.7426 -7.5551 -7.5551 4.5326 4.5326 4.7488 4.7488 4.7808 4.7808 8.6128 8.6128 10.6507 10.6507 11.3625 11.3625 12.0599 12.0599 k = 0.2380 0.1374 0.3886 ( 2443 PWs) bands (ev): -24.5843 -24.5843 -24.4463 -24.4463 -9.7433 -9.7433 -8.4814 -8.4814 -8.1386 -8.1386 -8.0920 -8.0920 -7.9471 -7.9471 -7.7368 -7.7368 -7.5574 -7.5574 4.5152 4.5152 4.7499 4.7499 4.7722 4.7722 8.6038 8.6038 10.6145 10.6145 11.3079 11.3079 11.9976 11.9976 k = 0.2308 0.1332 0.3768 ( 2443 PWs) bands (ev): -24.5899 -24.5899 -24.4411 -24.4411 -9.7291 -9.7291 -8.4796 -8.4796 -8.1307 -8.1307 -8.0968 -8.0968 -7.9640 -7.9640 -7.7312 -7.7312 -7.5596 -7.5596 4.4985 4.4985 4.7470 4.7470 4.7660 4.7660 8.5888 8.5888 10.5817 10.5817 11.2551 11.2551 11.9370 11.9370 k = 0.2236 0.1291 0.3651 ( 2447 PWs) bands (ev): -24.5955 -24.5955 -24.4360 -24.4360 -9.7145 -9.7145 -8.4782 -8.4782 -8.1338 -8.1338 -8.0906 -8.0906 -7.9806 -7.9806 -7.7257 -7.7257 -7.5617 -7.5617 4.4826 4.4826 4.7400 4.7400 4.7625 4.7625 8.5673 8.5673 10.5534 10.5534 11.2039 11.2039 11.8786 11.8786 k = 0.2163 0.1249 0.3533 ( 2447 PWs) bands (ev): -24.6011 -24.6011 -24.4309 -24.4309 -9.6996 -9.6996 -8.4772 -8.4772 -8.1430 -8.1430 -8.0779 -8.0779 -7.9970 -7.9970 -7.7204 -7.7204 -7.5636 -7.5636 4.4677 4.4677 4.7307 4.7307 4.7599 4.7599 8.5389 8.5389 10.5300 10.5300 11.1544 11.1544 11.8227 11.8227 k = 0.2091 0.1207 0.3415 ( 2455 PWs) bands (ev): -24.6067 -24.6067 -24.4258 -24.4258 -9.6844 -9.6844 -8.4764 -8.4764 -8.1537 -8.1537 -8.0636 -8.0636 -8.0131 -8.0131 -7.7153 -7.7153 -7.5654 -7.5654 4.4538 4.4538 4.7207 4.7207 4.7568 4.7568 8.5032 8.5032 10.5122 10.5122 11.1065 11.1065 11.7696 11.7696 k = 0.2019 0.1166 0.3297 ( 2451 PWs) bands (ev): -24.6121 -24.6121 -24.4208 -24.4208 -9.6689 -9.6689 -8.4760 -8.4760 -8.1645 -8.1645 -8.0492 -8.0492 -8.0285 -8.0285 -7.7104 -7.7104 -7.5671 -7.5671 4.4411 4.4411 4.7103 4.7103 4.7529 4.7529 8.4603 8.4603 10.5001 10.5001 11.0604 11.0604 11.7194 11.7194 k = 0.1947 0.1124 0.3180 ( 2451 PWs) bands (ev): -24.6175 -24.6175 -24.4159 -24.4159 -9.6532 -9.6532 -8.4758 -8.4758 -8.1751 -8.1751 -8.0455 -8.0455 -8.0331 -8.0331 -7.7057 -7.7057 -7.5687 -7.5687 4.4296 4.4296 4.6999 4.6999 4.7479 4.7479 8.4104 8.4104 10.4934 10.4934 11.0160 11.0160 11.6726 11.6726 k = 0.1875 0.1083 0.3062 ( 2451 PWs) bands (ev): -24.6228 -24.6228 -24.4111 -24.4111 -9.6373 -9.6373 -8.4761 -8.4761 -8.1853 -8.1853 -8.0599 -8.0599 -8.0194 -8.0194 -7.7011 -7.7011 -7.5702 -7.5702 4.4194 4.4194 4.6894 4.6894 4.7420 4.7420 8.3540 8.3540 10.4919 10.4919 10.9732 10.9732 11.6295 11.6295 k = 0.1803 0.1041 0.2944 ( 2457 PWs) bands (ev): -24.6280 -24.6280 -24.4063 -24.4063 -9.6213 -9.6213 -8.4766 -8.4766 -8.1949 -8.1949 -8.0745 -8.0745 -8.0057 -8.0057 -7.6966 -7.6966 -7.5717 -7.5717 4.4106 4.4106 4.6791 4.6791 4.7351 4.7351 8.2915 8.2915 10.4947 10.4947 10.9322 10.9322 11.5904 11.5904 k = 0.1731 0.0999 0.2826 ( 2455 PWs) bands (ev): -24.6332 -24.6332 -24.4017 -24.4017 -9.6052 -9.6052 -8.4774 -8.4774 -8.2040 -8.2040 -8.0888 -8.0888 -7.9923 -7.9923 -7.6922 -7.6922 -7.5730 -7.5730 4.4033 4.4033 4.6688 4.6688 4.7273 4.7273 8.2237 8.2237 10.5011 10.5011 10.8928 10.8928 11.5559 11.5559 k = 0.1659 0.0958 0.2709 ( 2445 PWs) bands (ev): -24.6381 -24.6381 -24.3972 -24.3972 -9.5891 -9.5891 -8.4785 -8.4785 -8.2124 -8.2124 -8.1026 -8.1026 -7.9796 -7.9796 -7.6879 -7.6879 -7.5743 -7.5743 4.3975 4.3975 4.6587 4.6587 4.7187 4.7187 8.1514 8.1514 10.5099 10.5099 10.8551 10.8551 11.5263 11.5263 k = 0.1587 0.0916 0.2591 ( 2451 PWs) bands (ev): -24.6430 -24.6430 -24.3928 -24.3928 -9.5730 -9.5730 -8.4799 -8.4799 -8.2202 -8.2202 -8.1159 -8.1159 -7.9676 -7.9676 -7.6836 -7.6836 -7.5756 -7.5756 4.3932 4.3932 4.6489 4.6489 4.7094 4.7094 8.0753 8.0753 10.5200 10.5200 10.8191 10.8191 11.5022 11.5022 k = 0.1514 0.0874 0.2473 ( 2453 PWs) bands (ev): -24.6477 -24.6477 -24.3885 -24.3885 -9.5570 -9.5570 -8.4816 -8.4816 -8.2273 -8.2273 -8.1288 -8.1288 -7.9563 -7.9563 -7.6793 -7.6793 -7.5769 -7.5769 4.3905 4.3905 4.6392 4.6392 4.6995 4.6995 7.9964 7.9964 10.5303 10.5303 10.7848 10.7848 11.4841 11.4841 k = 0.1442 0.0833 0.2355 ( 2453 PWs) bands (ev): -24.6523 -24.6523 -24.3843 -24.3843 -9.5412 -9.5412 -8.4834 -8.4834 -8.2337 -8.2337 -8.1412 -8.1412 -7.9458 -7.9458 -7.6749 -7.6749 -7.5782 -7.5782 4.3894 4.3894 4.6298 4.6298 4.6892 4.6892 7.9154 7.9154 10.5398 10.5398 10.7521 10.7521 11.4725 11.4725 k = 0.1370 0.0791 0.2238 ( 2449 PWs) bands (ev): -24.6567 -24.6567 -24.3803 -24.3803 -9.5257 -9.5257 -8.4855 -8.4855 -8.2395 -8.2395 -8.1531 -8.1531 -7.9361 -7.9361 -7.6704 -7.6704 -7.5795 -7.5795 4.3898 4.3898 4.6206 4.6206 4.6784 4.6784 7.8330 7.8330 10.5474 10.5474 10.7211 10.7211 11.4676 11.4676 k = 0.1298 0.0749 0.2120 ( 2449 PWs) bands (ev): -24.6610 -24.6610 -24.3765 -24.3765 -9.5104 -9.5104 -8.4877 -8.4877 -8.2446 -8.2446 -8.1644 -8.1644 -7.9273 -7.9273 -7.6658 -7.6658 -7.5809 -7.5809 4.3918 4.3918 4.6118 4.6118 4.6673 4.6673 7.7499 7.7499 10.5525 10.5525 10.6917 10.6917 11.4694 11.4694 k = 0.1226 0.0708 0.2002 ( 2455 PWs) bands (ev): -24.6651 -24.6651 -24.3729 -24.3729 -9.4955 -9.4955 -8.4902 -8.4902 -8.2491 -8.2491 -8.1752 -8.1752 -7.9194 -7.9194 -7.6612 -7.6612 -7.5823 -7.5823 4.3953 4.3953 4.6033 4.6033 4.6561 4.6561 7.6669 7.6669 10.5547 10.5547 10.6639 10.6639 11.4779 11.4779 k = 0.1154 0.0666 0.1884 ( 2455 PWs) bands (ev): -24.6690 -24.6690 -24.3693 -24.3693 -9.4811 -9.4811 -8.4927 -8.4927 -8.2529 -8.2529 -8.1854 -8.1854 -7.9123 -7.9123 -7.6564 -7.6564 -7.5838 -7.5838 4.4002 4.4002 4.5951 4.5951 4.6449 4.6449 7.5845 7.5845 10.5540 10.5540 10.6377 10.6377 11.4925 11.4925 k = 0.1082 0.0625 0.1766 ( 2459 PWs) bands (ev): -24.6727 -24.6727 -24.3660 -24.3660 -9.4671 -9.4671 -8.4952 -8.4952 -8.2562 -8.2562 -8.1950 -8.1950 -7.9061 -7.9061 -7.6516 -7.6516 -7.5853 -7.5853 4.4065 4.4065 4.5874 4.5874 4.6337 4.6337 7.5033 7.5033 10.5503 10.5503 10.6132 10.6132 11.5126 11.5126 k = 0.1010 0.0583 0.1649 ( 2471 PWs) bands (ev): -24.6762 -24.6762 -24.3629 -24.3629 -9.4537 -9.4537 -8.4979 -8.4979 -8.2589 -8.2589 -8.2041 -8.2041 -7.9006 -7.9006 -7.6468 -7.6468 -7.5869 -7.5869 4.4140 4.4140 4.5799 4.5799 4.6227 4.6227 7.4239 7.4239 10.5442 10.5442 10.5903 10.5903 11.5372 11.5372 k = 0.0938 0.0541 0.1531 ( 2471 PWs) bands (ev): -24.6795 -24.6795 -24.3599 -24.3599 -9.4409 -9.4409 -8.5005 -8.5005 -8.2611 -8.2611 -8.2125 -8.2125 -7.8960 -7.8960 -7.6419 -7.6419 -7.5885 -7.5885 4.4226 4.4226 4.5729 4.5729 4.6120 4.6120 7.3469 7.3469 10.5361 10.5361 10.5689 10.5689 11.5654 11.5654 k = 0.0865 0.0500 0.1413 ( 2471 PWs) bands (ev): -24.6826 -24.6826 -24.3572 -24.3572 -9.4288 -9.4288 -8.5031 -8.5031 -8.2628 -8.2628 -8.2203 -8.2203 -7.8920 -7.8920 -7.6371 -7.6371 -7.5902 -7.5902 4.4320 4.4320 4.5664 4.5664 4.6018 4.6018 7.2728 7.2728 10.5265 10.5265 10.5492 10.5492 11.5962 11.5962 k = 0.0793 0.0458 0.1295 ( 2465 PWs) bands (ev): -24.6854 -24.6854 -24.3546 -24.3546 -9.4174 -9.4174 -8.5056 -8.5056 -8.2641 -8.2641 -8.2276 -8.2276 -7.8887 -7.8887 -7.6324 -7.6324 -7.5918 -7.5918 4.4422 4.4422 4.5602 4.5602 4.5920 4.5920 7.2021 7.2021 10.5159 10.5159 10.5311 10.5311 11.6285 11.6285 k = 0.0721 0.0416 0.1178 ( 2461 PWs) bands (ev): -24.6881 -24.6881 -24.3522 -24.3522 -9.4068 -9.4068 -8.5079 -8.5079 -8.2650 -8.2650 -8.2341 -8.2341 -7.8860 -7.8860 -7.6279 -7.6279 -7.5934 -7.5934 4.4528 4.4528 4.5545 4.5545 4.5828 4.5828 7.1352 7.1352 10.5048 10.5048 10.5145 10.5145 11.6614 11.6614 k = 0.0649 0.0375 0.1060 ( 2463 PWs) bands (ev): -24.6905 -24.6905 -24.3501 -24.3501 -9.3971 -9.3971 -8.5102 -8.5102 -8.2657 -8.2657 -8.2402 -8.2402 -7.8838 -7.8838 -7.6236 -7.6236 -7.5949 -7.5949 4.4635 4.4635 4.5493 4.5493 4.5744 4.5744 7.0728 7.0728 10.4937 10.4937 10.4996 10.4996 11.6939 11.6939 k = 0.0577 0.0333 0.0942 ( 2463 PWs) bands (ev): -24.6926 -24.6926 -24.3482 -24.3482 -9.3882 -9.3882 -8.5123 -8.5123 -8.2661 -8.2661 -8.2455 -8.2455 -7.8821 -7.8821 -7.6196 -7.6196 -7.5965 -7.5965 4.4741 4.4741 4.5446 4.5446 4.5667 4.5667 7.0153 7.0153 10.4829 10.4829 10.4862 10.4862 11.7253 11.7253 k = 0.0505 0.0291 0.0824 ( 2447 PWs) bands (ev): -24.6945 -24.6945 -24.3464 -24.3464 -9.3803 -9.3803 -8.5141 -8.5141 -8.2662 -8.2662 -8.2502 -8.2502 -7.8807 -7.8807 -7.6159 -7.6159 -7.5978 -7.5978 4.4842 4.4842 4.5406 4.5406 4.5600 4.5600 6.9631 6.9631 10.4727 10.4727 10.4744 10.4744 11.7548 11.7548 k = 0.0433 0.0250 0.0707 ( 2439 PWs) bands (ev): -24.6962 -24.6962 -24.3449 -24.3449 -9.3734 -9.3734 -8.5158 -8.5158 -8.2662 -8.2662 -8.2542 -8.2542 -7.8796 -7.8796 -7.6126 -7.6126 -7.5991 -7.5991 4.4934 4.4934 4.5374 4.5374 4.5541 4.5541 6.9167 6.9167 10.4634 10.4634 10.4642 10.4642 11.7818 11.7818 k = 0.0361 0.0208 0.0589 ( 2435 PWs) bands (ev): -24.6976 -24.6976 -24.3436 -24.3436 -9.3675 -9.3675 -8.5172 -8.5172 -8.2661 -8.2661 -8.2577 -8.2577 -7.8789 -7.8789 -7.6097 -7.6097 -7.6002 -7.6002 4.5010 4.5010 4.5352 4.5352 4.5492 4.5492 6.8766 6.8766 10.4552 10.4552 10.4556 10.4556 11.8055 11.8056 k = 0.0288 0.0167 0.0471 ( 2435 PWs) bands (ev): -24.6988 -24.6988 -24.3426 -24.3426 -9.3626 -9.3626 -8.5185 -8.5185 -8.2659 -8.2659 -8.2605 -8.2605 -7.8783 -7.8783 -7.6073 -7.6073 -7.6012 -7.6012 4.5066 4.5066 4.5344 4.5344 4.5453 4.5453 6.8432 6.8432 10.4483 10.4483 10.4485 10.4485 11.8255 11.8255 k = 0.0216 0.0125 0.0353 ( 2435 PWs) bands (ev): -24.6997 -24.6997 -24.3418 -24.3418 -9.3588 -9.3588 -8.5194 -8.5194 -8.2658 -8.2658 -8.2627 -8.2627 -7.8779 -7.8779 -7.6054 -7.6054 -7.6020 -7.6020 4.5098 4.5098 4.5351 4.5351 4.5423 4.5423 6.8168 6.8168 10.4428 10.4428 10.4430 10.4430 11.8413 11.8413 k = 0.0144 0.0083 0.0236 ( 2435 PWs) bands (ev): -24.7004 -24.7004 -24.3412 -24.3412 -9.3561 -9.3561 -8.5201 -8.5201 -8.2657 -8.2657 -8.2643 -8.2643 -7.8777 -7.8777 -7.6041 -7.6041 -7.6025 -7.6025 4.5112 4.5112 4.5366 4.5366 4.5402 4.5402 6.7977 6.7977 10.4389 10.4389 10.4390 10.4390 11.8519 11.8520 k = 0.0072 0.0042 0.0118 ( 2435 PWs) bands (ev): -24.7008 -24.7008 -24.3408 -24.3408 -9.3544 -9.3544 -8.5206 -8.5206 -8.2656 -8.2656 -8.2652 -8.2652 -7.8775 -7.8775 -7.6032 -7.6032 -7.6029 -7.6029 4.5116 4.5116 4.5380 4.5380 4.5390 4.5390 6.7862 6.7862 10.4365 10.4365 10.4365 10.4365 11.8561 11.8565 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -24.7009 -24.7009 -24.3407 -24.3407 -9.3539 -9.3539 -8.5207 -8.5207 -8.2656 -8.2656 -8.2656 -8.2656 -7.8775 -7.8775 -7.6030 -7.6030 -7.6030 -7.6030 4.5116 4.5116 4.5385 4.5385 4.5385 4.5385 6.7823 6.7823 10.4357 10.4357 10.4357 10.4357 11.8564 11.8565 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -24.7009 -24.7009 -24.3407 -24.3407 -9.3539 -9.3539 -8.5207 -8.5207 -8.2656 -8.2656 -8.2656 -8.2656 -7.8775 -7.8775 -7.6030 -7.6030 -7.6030 -7.6030 4.5116 4.5116 4.5385 4.5385 4.5385 4.5385 6.7823 6.7823 10.4357 10.4357 10.4357 10.4357 11.8564 11.8566 k = 0.0116 0.0067 0.0047 ( 2436 PWs) bands (ev): -24.7008 -24.7008 -24.3408 -24.3408 -9.3544 -9.3544 -8.5206 -8.5206 -8.2655 -8.2655 -8.2654 -8.2654 -7.8775 -7.8775 -7.6032 -7.6032 -7.6028 -7.6028 4.5116 4.5116 4.5381 4.5381 4.5389 4.5389 6.7861 6.7861 10.4365 10.4365 10.4365 10.4365 11.8560 11.8565 k = 0.0233 0.0134 0.0095 ( 2433 PWs) bands (ev): -24.7004 -24.7004 -24.3412 -24.3412 -9.3560 -9.3560 -8.5201 -8.5201 -8.2651 -8.2651 -8.2649 -8.2649 -7.8777 -7.8777 -7.6040 -7.6040 -7.6025 -7.6025 4.5112 4.5112 4.5368 4.5368 4.5400 4.5400 6.7973 6.7973 10.4388 10.4388 10.4389 10.4389 11.8514 11.8516 k = 0.0349 0.0201 0.0142 ( 2433 PWs) bands (ev): -24.6997 -24.6997 -24.3418 -24.3418 -9.3587 -9.3587 -8.5194 -8.5194 -8.2646 -8.2646 -8.2640 -8.2640 -7.8779 -7.8779 -7.6054 -7.6054 -7.6019 -7.6019 4.5101 4.5101 4.5353 4.5353 4.5417 4.5417 6.8159 6.8159 10.4427 10.4427 10.4429 10.4429 11.8397 11.8397 k = 0.0465 0.0269 0.0190 ( 2433 PWs) bands (ev): -24.6988 -24.6988 -24.3425 -24.3425 -9.3624 -9.3624 -8.5185 -8.5185 -8.2638 -8.2638 -8.2628 -8.2628 -7.8783 -7.8783 -7.6073 -7.6073 -7.6012 -7.6012 4.5076 4.5076 4.5345 4.5345 4.5442 4.5442 6.8417 6.8417 10.4481 10.4481 10.4484 10.4484 11.8226 11.8226 k = 0.0581 0.0336 0.0237 ( 2433 PWs) bands (ev): -24.6977 -24.6977 -24.3436 -24.3436 -9.3671 -9.3671 -8.5172 -8.5172 -8.2628 -8.2628 -8.2612 -8.2612 -7.8789 -7.8789 -7.6097 -7.6097 -7.6002 -7.6002 4.5030 4.5030 4.5351 4.5351 4.5474 4.5474 6.8743 6.8743 10.4551 10.4551 10.4555 10.4555 11.8008 11.8008 k = 0.0698 0.0403 0.0285 ( 2442 PWs) bands (ev): -24.6963 -24.6963 -24.3448 -24.3448 -9.3729 -9.3729 -8.5156 -8.5156 -8.2616 -8.2616 -8.2593 -8.2593 -7.8796 -7.8796 -7.6127 -7.6127 -7.5990 -7.5990 4.4966 4.4966 4.5371 4.5371 4.5512 4.5512 6.9133 6.9133 10.4637 10.4637 10.4643 10.4643 11.7747 11.7747 k = 0.0814 0.0470 0.0332 ( 2442 PWs) bands (ev): -24.6947 -24.6947 -24.3463 -24.3463 -9.3796 -9.3796 -8.5137 -8.5137 -8.2600 -8.2600 -8.2570 -8.2570 -7.8807 -7.8807 -7.6162 -7.6162 -7.5976 -7.5976 4.4888 4.4888 4.5404 4.5404 4.5557 4.5557 6.9585 6.9585 10.4738 10.4738 10.4746 10.4746 11.7449 11.7449 k = 0.0930 0.0537 0.0380 ( 2451 PWs) bands (ev): -24.6928 -24.6928 -24.3480 -24.3480 -9.3872 -9.3872 -8.5115 -8.5115 -8.2581 -8.2581 -8.2545 -8.2545 -7.8821 -7.8821 -7.6202 -7.6202 -7.5961 -7.5961 4.4801 4.4801 4.5447 4.5447 4.5608 4.5608 7.0093 7.0093 10.4855 10.4855 10.4866 10.4866 11.7119 11.7119 k = 0.1047 0.0604 0.0427 ( 2463 PWs) bands (ev): -24.6907 -24.6907 -24.3499 -24.3499 -9.3957 -9.3957 -8.5089 -8.5089 -8.2559 -8.2559 -8.2516 -8.2516 -7.8838 -7.8838 -7.6247 -7.6247 -7.5944 -7.5944 4.4709 4.4709 4.5498 4.5498 4.5665 4.5665 7.0654 7.0654 10.4989 10.4989 10.5002 10.5002 11.6760 11.6760 k = 0.1163 0.0671 0.0475 ( 2469 PWs) bands (ev): -24.6883 -24.6883 -24.3521 -24.3521 -9.4051 -9.4051 -8.5060 -8.5060 -8.2533 -8.2533 -8.2483 -8.2483 -7.8859 -7.8859 -7.6297 -7.6297 -7.5926 -7.5926 4.4616 4.4616 4.5556 4.5556 4.5728 4.5728 7.1262 7.1262 10.5138 10.5138 10.5154 10.5154 11.6379 11.6379 k = 0.1279 0.0738 0.0522 ( 2463 PWs) bands (ev): -24.6857 -24.6857 -24.3544 -24.3544 -9.4152 -9.4152 -8.5026 -8.5026 -8.2502 -8.2502 -8.2446 -8.2446 -7.8885 -7.8885 -7.6352 -7.6352 -7.5907 -7.5907 4.4526 4.4526 4.5621 4.5621 4.5797 4.5797 7.1912 7.1912 10.5304 10.5304 10.5323 10.5323 11.5980 11.5980 k = 0.1395 0.0806 0.0570 ( 2463 PWs) bands (ev): -24.6829 -24.6829 -24.3569 -24.3569 -9.4261 -9.4261 -8.4988 -8.4988 -8.2467 -8.2467 -8.2407 -8.2407 -7.8914 -7.8914 -7.6412 -7.6412 -7.5888 -7.5888 4.4439 4.4439 4.5691 4.5691 4.5870 4.5870 7.2601 7.2601 10.5486 10.5486 10.5509 10.5509 11.5569 11.5569 k = 0.1512 0.0873 0.0617 ( 2463 PWs) bands (ev): -24.6799 -24.6799 -24.3596 -24.3596 -9.4376 -9.4376 -8.4947 -8.4947 -8.2428 -8.2428 -8.2363 -8.2363 -7.8949 -7.8949 -7.6476 -7.6476 -7.5869 -7.5869 4.4359 4.4359 4.5766 4.5766 4.5948 4.5948 7.3322 7.3322 10.5685 10.5685 10.5711 10.5711 11.5151 11.5151 k = 0.1628 0.0940 0.0665 ( 2463 PWs) bands (ev): -24.6766 -24.6766 -24.3626 -24.3626 -9.4496 -9.4496 -8.4901 -8.4901 -8.2386 -8.2386 -8.2317 -8.2317 -7.8989 -7.8989 -7.6545 -7.6545 -7.5850 -7.5850 4.4286 4.4286 4.5846 4.5846 4.6031 4.6031 7.4072 7.4072 10.5900 10.5900 10.5930 10.5930 11.4731 11.4731 k = 0.1744 0.1007 0.0712 ( 2469 PWs) bands (ev): -24.6731 -24.6731 -24.3658 -24.3658 -9.4622 -9.4622 -8.4852 -8.4852 -8.2340 -8.2340 -8.2268 -8.2268 -7.9034 -7.9034 -7.6618 -7.6618 -7.5832 -7.5832 4.4224 4.4224 4.5930 4.5930 4.6117 4.6117 7.4846 7.4846 10.6132 10.6132 10.6165 10.6165 11.4313 11.4313 k = 0.1860 0.1074 0.0760 ( 2469 PWs) bands (ev): -24.6694 -24.6694 -24.3692 -24.3692 -9.4752 -9.4752 -8.4799 -8.4799 -8.2289 -8.2289 -8.2214 -8.2214 -7.9083 -7.9083 -7.6695 -7.6695 -7.5816 -7.5816 4.4172 4.4172 4.6017 4.6017 4.6207 4.6207 7.5639 7.5639 10.6380 10.6380 10.6417 10.6417 11.3904 11.3904 k = 0.1977 0.1141 0.0807 ( 2463 PWs) bands (ev): -24.6655 -24.6655 -24.3727 -24.3727 -9.4885 -9.4885 -8.4741 -8.4741 -8.2234 -8.2234 -8.2158 -8.2158 -7.9137 -7.9137 -7.6777 -7.6777 -7.5801 -7.5801 4.4131 4.4131 4.6108 4.6108 4.6300 4.6300 7.6446 7.6446 10.6645 10.6645 10.6686 10.6686 11.3506 11.3506 k = 0.2093 0.1208 0.0854 ( 2457 PWs) bands (ev): -24.6613 -24.6613 -24.3764 -24.3764 -9.5021 -9.5021 -8.4679 -8.4679 -8.2176 -8.2176 -8.2098 -8.2098 -7.9195 -7.9195 -7.6862 -7.6862 -7.5788 -7.5788 4.4102 4.4102 4.6201 4.6201 4.6396 4.6396 7.7262 7.7262 10.6925 10.6925 10.6970 10.6970 11.3125 11.3125 k = 0.2209 0.1276 0.0902 ( 2463 PWs) bands (ev): -24.6570 -24.6570 -24.3804 -24.3804 -9.5159 -9.5159 -8.4614 -8.4614 -8.2114 -8.2114 -8.2035 -8.2035 -7.9258 -7.9258 -7.6951 -7.6951 -7.5777 -7.5777 4.4085 4.4085 4.6296 4.6296 4.6494 4.6494 7.8084 7.8084 10.7221 10.7221 10.7270 10.7270 11.2764 11.2764 k = 0.2326 0.1343 0.0949 ( 2454 PWs) bands (ev): -24.6525 -24.6525 -24.3845 -24.3845 -9.5298 -9.5298 -8.4545 -8.4545 -8.2049 -8.2049 -8.1969 -8.1969 -7.9325 -7.9325 -7.7043 -7.7043 -7.5770 -7.5770 4.4080 4.4080 4.6393 4.6393 4.6593 4.6593 7.8905 7.8905 10.7533 10.7533 10.7586 10.7586 11.2426 11.2426 k = 0.2442 0.1410 0.0997 ( 2457 PWs) bands (ev): -24.6479 -24.6479 -24.3888 -24.3888 -9.5438 -9.5438 -8.4473 -8.4473 -8.1982 -8.1982 -8.1900 -8.1900 -7.9396 -7.9396 -7.7139 -7.7139 -7.5766 -7.5766 4.4086 4.4086 4.6491 4.6491 4.6693 4.6693 7.9723 7.9723 10.7859 10.7859 10.7916 10.7916 11.2115 11.2115 k = 0.2558 0.1477 0.1044 ( 2457 PWs) bands (ev): -24.6430 -24.6430 -24.3932 -24.3932 -9.5576 -9.5576 -8.4397 -8.4397 -8.1912 -8.1912 -8.1827 -8.1827 -7.9470 -7.9470 -7.7238 -7.7238 -7.5765 -7.5765 4.4104 4.4104 4.6589 4.6589 4.6794 4.6794 8.0531 8.0531 10.8200 10.8200 10.8260 10.8260 11.1833 11.1833 k = 0.2674 0.1544 0.1092 ( 2457 PWs) bands (ev): -24.6380 -24.6380 -24.3979 -24.3979 -9.5714 -9.5714 -8.4317 -8.4317 -8.1841 -8.1841 -8.1752 -8.1752 -7.9547 -7.9547 -7.7340 -7.7340 -7.5767 -7.5767 4.4133 4.4133 4.6688 4.6688 4.6894 4.6894 8.1327 8.1327 10.8554 10.8554 10.8618 10.8618 11.1582 11.1582 k = 0.2791 0.1611 0.1139 ( 2454 PWs) bands (ev): -24.6328 -24.6328 -24.4027 -24.4027 -9.5850 -9.5850 -8.4235 -8.4235 -8.1768 -8.1768 -8.1673 -8.1673 -7.9626 -7.9626 -7.7445 -7.7445 -7.5773 -7.5773 4.4171 4.4171 4.6785 4.6785 4.6994 4.6994 8.2105 8.2105 10.8920 10.8920 10.8989 10.8989 11.1363 11.1363 k = 0.2907 0.1678 0.1187 ( 2454 PWs) bands (ev): -24.6275 -24.6275 -24.4076 -24.4076 -9.5983 -9.5983 -8.4150 -8.4150 -8.1695 -8.1695 -8.1592 -8.1592 -7.9706 -7.9706 -7.7552 -7.7552 -7.5782 -7.5782 4.4218 4.4218 4.6882 4.6882 4.7093 4.7093 8.2861 8.2861 10.9298 10.9298 10.9371 10.9371 11.1178 11.1178 k = 0.3023 0.1745 0.1234 ( 2457 PWs) bands (ev): -24.6220 -24.6220 -24.4127 -24.4127 -9.6113 -9.6113 -8.4063 -8.4063 -8.1623 -8.1623 -8.1508 -8.1508 -7.9788 -7.9788 -7.7662 -7.7662 -7.5795 -7.5795 4.4273 4.4273 4.6977 4.6977 4.7191 4.7191 8.3592 8.3592 10.9685 10.9685 10.9762 10.9762 11.1026 11.1026 k = 0.3140 0.1813 0.1282 ( 2457 PWs) bands (ev): -24.6165 -24.6165 -24.4179 -24.4179 -9.6239 -9.6239 -8.3972 -8.3972 -8.1553 -8.1553 -8.1420 -8.1420 -7.9869 -7.9869 -7.7774 -7.7774 -7.5812 -7.5812 4.4335 4.4335 4.7070 4.7070 4.7286 4.7286 8.4294 8.4294 11.0081 11.0081 11.0162 11.0162 11.0906 11.0906 k = 0.3256 0.1880 0.1329 ( 2460 PWs) bands (ev): -24.6107 -24.6107 -24.4233 -24.4233 -9.6360 -9.6360 -8.3880 -8.3880 -8.1486 -8.1486 -8.1331 -8.1331 -7.9949 -7.9949 -7.7888 -7.7888 -7.5831 -7.5831 4.4402 4.4402 4.7160 4.7160 4.7378 4.7378 8.4963 8.4963 11.0480 11.0480 11.0569 11.0569 11.0819 11.0819 k = 0.3372 0.1947 0.1377 ( 2445 PWs) bands (ev): -24.6048 -24.6048 -24.4288 -24.4288 -9.6476 -9.6476 -8.3786 -8.3786 -8.1424 -8.1424 -8.1238 -8.1238 -8.0025 -8.0025 -7.8003 -7.8003 -7.5852 -7.5852 4.4473 4.4473 4.7248 4.7248 4.7467 4.7467 8.5598 8.5598 11.0735 11.0735 11.0910 11.0910 11.0980 11.0980 k = 0.3488 0.2014 0.1424 ( 2446 PWs) bands (ev): -24.5989 -24.5989 -24.4345 -24.4345 -9.6587 -9.6587 -8.3691 -8.3691 -8.1369 -8.1369 -8.1143 -8.1143 -8.0097 -8.0097 -7.8121 -7.8121 -7.5876 -7.5876 4.4546 4.4546 4.7331 4.7331 4.7552 4.7552 8.6196 8.6196 11.0708 11.0708 11.1308 11.1308 11.1392 11.1392 k = 0.3605 0.2081 0.1472 ( 2458 PWs) bands (ev): -24.5929 -24.5929 -24.4402 -24.4402 -9.6691 -9.6691 -8.3594 -8.3594 -8.1324 -8.1324 -8.1045 -8.1045 -8.0163 -8.0163 -7.8240 -7.8240 -7.5903 -7.5903 4.4621 4.4621 4.7410 4.7410 4.7633 4.7633 8.6754 8.6754 11.0692 11.0692 11.1715 11.1715 11.1803 11.1803 k = 0.3721 0.2148 0.1519 ( 2458 PWs) bands (ev): -24.5867 -24.5867 -24.4461 -24.4461 -9.6789 -9.6789 -8.3496 -8.3496 -8.1293 -8.1293 -8.0945 -8.0945 -8.0218 -8.0218 -7.8360 -7.8360 -7.5931 -7.5931 4.4696 4.4696 4.7485 4.7485 4.7710 4.7710 8.7272 8.7272 11.0692 11.0692 11.2118 11.2118 11.2210 11.2210 k = 0.3837 0.2215 0.1567 ( 2455 PWs) bands (ev): -24.5805 -24.5805 -24.4520 -24.4520 -9.6879 -9.6879 -8.3398 -8.3398 -8.1276 -8.1276 -8.0843 -8.0843 -8.0260 -8.0260 -7.8481 -7.8481 -7.5959 -7.5959 4.4769 4.4769 4.7555 4.7555 4.7781 4.7781 8.7748 8.7748 11.0705 11.0705 11.2514 11.2514 11.2608 11.2608 k = 0.3953 0.2283 0.1614 ( 2455 PWs) bands (ev): -24.5742 -24.5742 -24.4581 -24.4581 -9.6962 -9.6962 -8.3301 -8.3301 -8.1277 -8.1277 -8.0738 -8.0738 -8.0288 -8.0288 -7.8602 -7.8602 -7.5988 -7.5988 4.4840 4.4840 4.7619 4.7619 4.7847 4.7847 8.8181 8.8181 11.0726 11.0726 11.2896 11.2896 11.2993 11.2993 k = 0.4070 0.2350 0.1661 ( 2455 PWs) bands (ev): -24.5678 -24.5678 -24.4642 -24.4642 -9.7038 -9.7038 -8.3204 -8.3204 -8.1296 -8.1296 -8.0631 -8.0631 -8.0302 -8.0302 -7.8725 -7.8725 -7.6016 -7.6016 4.4907 4.4907 4.7678 4.7678 4.7907 4.7907 8.8570 8.8570 11.0752 11.0752 11.3262 11.3262 11.3361 11.3361 k = 0.4186 0.2417 0.1709 ( 2449 PWs) bands (ev): -24.5614 -24.5614 -24.4704 -24.4704 -9.7105 -9.7105 -8.3110 -8.3110 -8.1330 -8.1330 -8.0523 -8.0523 -8.0304 -8.0304 -7.8847 -7.8847 -7.6043 -7.6043 4.4969 4.4969 4.7731 4.7731 4.7961 4.7961 8.8915 8.8915 11.0778 11.0778 11.3604 11.3604 11.3705 11.3705 k = 0.4302 0.2484 0.1756 ( 2455 PWs) bands (ev): -24.5549 -24.5549 -24.4767 -24.4767 -9.7164 -9.7164 -8.3019 -8.3019 -8.1376 -8.1376 -8.0412 -8.0412 -8.0297 -8.0297 -7.8969 -7.8969 -7.6069 -7.6069 4.5025 4.5025 4.7777 4.7777 4.8009 4.8009 8.9215 8.9215 11.0804 11.0804 11.3918 11.3918 11.4021 11.4021 k = 0.4419 0.2551 0.1804 ( 2464 PWs) bands (ev): -24.5484 -24.5484 -24.4831 -24.4831 -9.7214 -9.7214 -8.2934 -8.2934 -8.1428 -8.1428 -8.0301 -8.0301 -8.0284 -8.0284 -7.9092 -7.9092 -7.6092 -7.6092 4.5074 4.5074 4.7816 4.7816 4.8049 4.8049 8.9471 8.9471 11.0826 11.0826 11.4198 11.4198 11.4301 11.4301 k = 0.4535 0.2618 0.1851 ( 2458 PWs) bands (ev): -24.5419 -24.5419 -24.4895 -24.4895 -9.7255 -9.7255 -8.2855 -8.2855 -8.1483 -8.1483 -8.0269 -8.0269 -8.0187 -8.0187 -7.9213 -7.9213 -7.6112 -7.6112 4.5115 4.5115 4.7849 4.7849 4.8082 4.8082 8.9680 8.9680 11.0845 11.0845 11.4437 11.4437 11.4542 11.4542 k = 0.4651 0.2685 0.1899 ( 2458 PWs) bands (ev): -24.5353 -24.5353 -24.4960 -24.4960 -9.7288 -9.7288 -8.2787 -8.2787 -8.1534 -8.1534 -8.0255 -8.0255 -8.0073 -8.0073 -7.9334 -7.9334 -7.6128 -7.6128 4.5148 4.5148 4.7875 4.7875 4.8109 4.8109 8.9844 8.9844 11.0860 11.0860 11.4630 11.4630 11.4735 11.4735 k = 0.4767 0.2752 0.1946 ( 2464 PWs) bands (ev): -24.5288 -24.5288 -24.5025 -24.5025 -9.7311 -9.7311 -8.2734 -8.2734 -8.1577 -8.1577 -8.0243 -8.0243 -7.9960 -7.9960 -7.9452 -7.9452 -7.6140 -7.6140 4.5172 4.5172 4.7893 4.7893 4.8128 4.8128 8.9961 8.9961 11.0869 11.0869 11.4772 11.4772 11.4878 11.4878 k = 0.4884 0.2820 0.1994 ( 2452 PWs) bands (ev): -24.5222 -24.5222 -24.5090 -24.5090 -9.7325 -9.7325 -8.2699 -8.2699 -8.1605 -8.1605 -8.0235 -8.0235 -7.9854 -7.9854 -7.9561 -7.9561 -7.6147 -7.6147 4.5187 4.5187 4.7904 4.7904 4.8139 4.8139 9.0031 9.0031 11.0875 11.0875 11.4859 11.4859 11.4965 11.4965 k = 0.5000 0.2887 0.2041 ( 2452 PWs) bands (ev): -24.5160 -24.5160 -24.5152 -24.5152 -9.7329 -9.7329 -8.2687 -8.2687 -8.1615 -8.1615 -8.0233 -8.0233 -7.9791 -7.9791 -7.9625 -7.9625 -7.6149 -7.6149 4.5192 4.5192 4.7908 4.7908 4.8143 4.8143 9.0055 9.0055 11.0877 11.0877 11.4888 11.4888 11.4994 11.4994 k = 0.5000 0.2887 0.2041 ( 2452 PWs) bands (ev): -24.5160 -24.5160 -24.5152 -24.5152 -9.7329 -9.7329 -8.2687 -8.2687 -8.1615 -8.1615 -8.0233 -8.0233 -7.9791 -7.9791 -7.9625 -7.9625 -7.6149 -7.6149 4.5192 4.5192 4.7908 4.7908 4.8143 4.8143 9.0055 9.0055 11.0877 11.0877 11.4888 11.4888 11.4994 11.4994 k = 0.5042 0.2766 0.2109 ( 2452 PWs) bands (ev): -24.5160 -24.5160 -24.5151 -24.5151 -9.7334 -9.7334 -8.2700 -8.2700 -8.1624 -8.1624 -8.0256 -8.0256 -7.9777 -7.9777 -7.9586 -7.9586 -7.6151 -7.6151 4.5196 4.5196 4.7908 4.7908 4.8142 4.8142 9.0037 9.0037 11.0886 11.0886 11.4897 11.4897 11.5003 11.5003 k = 0.5083 0.2646 0.2177 ( 2458 PWs) bands (ev): -24.5160 -24.5160 -24.5151 -24.5151 -9.7347 -9.7347 -8.2739 -8.2739 -8.1651 -8.1651 -8.0313 -8.0313 -7.9735 -7.9735 -7.9486 -7.9486 -7.6157 -7.6157 4.5208 4.5208 4.7907 4.7907 4.8142 4.8142 8.9984 8.9984 11.0910 11.0910 11.4922 11.4922 11.5031 11.5031 k = 0.5125 0.2526 0.2245 ( 2454 PWs) bands (ev): -24.5159 -24.5159 -24.5151 -24.5151 -9.7369 -9.7369 -8.2803 -8.2803 -8.1691 -8.1691 -8.0380 -8.0380 -7.9669 -7.9669 -7.9346 -7.9346 -7.6166 -7.6166 4.5228 4.5228 4.7904 4.7904 4.8143 4.8143 8.9898 8.9898 11.0950 11.0950 11.4960 11.4960 11.5082 11.5082 k = 0.5167 0.2406 0.2313 ( 2446 PWs) bands (ev): -24.5159 -24.5159 -24.5150 -24.5150 -9.7399 -9.7399 -8.2890 -8.2890 -8.1741 -8.1741 -8.0442 -8.0442 -7.9585 -7.9585 -7.9184 -7.9184 -7.6178 -7.6178 4.5256 4.5256 4.7897 4.7897 4.8146 4.8146 8.9779 8.9779 11.1004 11.1004 11.5002 11.5002 11.5157 11.5157 k = 0.5208 0.2285 0.2381 ( 2448 PWs) bands (ev): -24.5158 -24.5158 -24.5150 -24.5150 -9.7438 -9.7438 -8.2997 -8.2997 -8.1799 -8.1799 -8.0493 -8.0493 -7.9489 -7.9489 -7.9006 -7.9006 -7.6194 -7.6194 4.5291 4.5291 4.7885 4.7885 4.8155 4.8155 8.9630 8.9630 11.1071 11.1071 11.5044 11.5044 11.5260 11.5260 k = 0.5250 0.2165 0.2449 ( 2442 PWs) bands (ev): -24.5157 -24.5157 -24.5148 -24.5148 -9.7484 -9.7484 -8.3121 -8.3121 -8.1864 -8.1864 -8.0527 -8.0527 -7.9383 -7.9383 -7.8819 -7.8819 -7.6211 -7.6211 4.5332 4.5332 4.7867 4.7867 4.8170 4.8170 8.9453 8.9453 11.1148 11.1148 11.5082 11.5082 11.5389 11.5389 k = 0.5292 0.2045 0.2518 ( 2445 PWs) bands (ev): -24.5157 -24.5157 -24.5147 -24.5147 -9.7537 -9.7537 -8.3257 -8.3257 -8.1937 -8.1937 -8.0543 -8.0543 -7.9272 -7.9272 -7.8626 -7.8626 -7.6231 -7.6231 4.5380 4.5380 4.7842 4.7842 4.8192 4.8192 8.9252 8.9252 11.1234 11.1234 11.5110 11.5110 11.5543 11.5543 k = 0.5333 0.1925 0.2586 ( 2443 PWs) bands (ev): -24.5157 -24.5157 -24.5145 -24.5145 -9.7598 -9.7598 -8.3401 -8.3401 -8.2017 -8.2017 -8.0540 -8.0540 -7.9157 -7.9157 -7.8432 -7.8432 -7.6251 -7.6251 4.5432 4.5432 4.7812 4.7812 4.8220 4.8220 8.9030 8.9030 11.1328 11.1328 11.5125 11.5125 11.5721 11.5721 k = 0.5375 0.1804 0.2654 ( 2448 PWs) bands (ev): -24.5158 -24.5158 -24.5142 -24.5142 -9.7664 -9.7664 -8.3550 -8.3550 -8.2104 -8.2104 -8.0521 -8.0521 -7.9041 -7.9041 -7.8238 -7.8238 -7.6271 -7.6271 4.5488 4.5488 4.7778 4.7778 4.8255 4.8255 8.8789 8.8789 11.1427 11.1427 11.5121 11.5121 11.5922 11.5922 k = 0.5417 0.1684 0.2722 ( 2447 PWs) bands (ev): -24.5160 -24.5160 -24.5138 -24.5138 -9.7736 -9.7736 -8.3701 -8.3701 -8.2196 -8.2196 -8.0485 -8.0485 -7.8925 -7.8925 -7.8048 -7.8048 -7.6288 -7.6288 4.5546 4.5546 4.7742 4.7742 4.8294 4.8294 8.8534 8.8534 11.1530 11.1530 11.5094 11.5094 11.6145 11.6145 k = 0.5458 0.1564 0.2790 ( 2445 PWs) bands (ev): -24.5161 -24.5161 -24.5133 -24.5133 -9.7813 -9.7813 -8.3852 -8.3852 -8.2293 -8.2293 -8.0435 -8.0435 -7.8810 -7.8810 -7.7866 -7.7866 -7.6301 -7.6301 4.5605 4.5605 4.7705 4.7705 4.8339 4.8339 8.8267 8.8267 11.1636 11.1636 11.5042 11.5042 11.6389 11.6389 k = 0.5500 0.1443 0.2858 ( 2445 PWs) bands (ev): -24.5164 -24.5164 -24.5128 -24.5128 -9.7894 -9.7894 -8.4001 -8.4001 -8.2394 -8.2394 -8.0374 -8.0374 -7.8696 -7.8696 -7.7695 -7.7695 -7.6306 -7.6306 4.5662 4.5662 4.7671 4.7671 4.8388 4.8388 8.7991 8.7991 11.1742 11.1742 11.4966 11.4966 11.6653 11.6653 k = 0.5542 0.1323 0.2926 ( 2443 PWs) bands (ev): -24.5167 -24.5167 -24.5122 -24.5122 -9.7978 -9.7978 -8.4147 -8.4147 -8.2496 -8.2496 -8.0303 -8.0303 -7.8585 -7.8585 -7.7539 -7.7539 -7.6299 -7.6299 4.5716 4.5716 4.7641 4.7641 4.8440 4.8440 8.7709 8.7709 11.1846 11.1846 11.4867 11.4867 11.6936 11.6936 k = 0.5583 0.1203 0.2994 ( 2443 PWs) bands (ev): -24.5171 -24.5171 -24.5115 -24.5115 -9.8065 -9.8065 -8.4288 -8.4288 -8.2600 -8.2600 -8.0225 -8.0225 -7.8479 -7.8479 -7.7404 -7.7404 -7.6276 -7.6276 4.5763 4.5763 4.7617 4.7617 4.8496 4.8496 8.7424 8.7424 11.1944 11.1944 11.4750 11.4750 11.7235 11.7235 k = 0.5625 0.1083 0.3062 ( 2443 PWs) bands (ev): -24.5176 -24.5176 -24.5107 -24.5107 -9.8153 -9.8153 -8.4424 -8.4424 -8.2704 -8.2704 -8.0142 -8.0142 -7.8377 -7.8377 -7.7291 -7.7291 -7.6234 -7.6234 4.5800 4.5800 4.7604 4.7604 4.8553 4.8553 8.7139 8.7139 11.2033 11.2033 11.4625 11.4625 11.7550 11.7550 k = 0.5667 0.0962 0.3130 ( 2443 PWs) bands (ev): -24.5181 -24.5181 -24.5098 -24.5098 -9.8243 -9.8243 -8.4553 -8.4553 -8.2808 -8.2808 -8.0054 -8.0054 -7.8282 -7.8282 -7.7204 -7.7204 -7.6169 -7.6169 4.5826 4.5826 4.7602 4.7602 4.8613 4.8613 8.6855 8.6855 11.2104 11.2104 11.4501 11.4501 11.7876 11.7876 k = 0.5708 0.0842 0.3198 ( 2446 PWs) bands (ev): -24.5187 -24.5187 -24.5089 -24.5089 -9.8333 -9.8333 -8.4676 -8.4676 -8.2910 -8.2910 -7.9965 -7.9965 -7.8194 -7.8194 -7.7137 -7.7137 -7.6085 -7.6085 4.5837 4.5837 4.7613 4.7613 4.8675 4.8675 8.6574 8.6574 11.2152 11.2152 11.4392 11.4392 11.8211 11.8211 k = 0.5750 0.0722 0.3266 ( 2444 PWs) bands (ev): -24.5195 -24.5195 -24.5078 -24.5078 -9.8422 -9.8422 -8.4792 -8.4792 -8.3011 -8.3011 -7.9875 -7.9875 -7.8116 -7.8116 -7.7085 -7.7085 -7.5987 -7.5987 4.5833 4.5833 4.7640 4.7640 4.8738 4.8738 8.6300 8.6300 11.2166 11.2166 11.4309 11.4309 11.8550 11.8550 k = 0.5792 0.0601 0.3334 ( 2440 PWs) bands (ev): -24.5203 -24.5203 -24.5067 -24.5067 -9.8511 -9.8511 -8.4900 -8.4900 -8.3109 -8.3109 -7.9788 -7.9788 -7.8047 -7.8047 -7.7041 -7.7041 -7.5880 -7.5880 4.5813 4.5813 4.7682 4.7682 4.8801 4.8801 8.6033 8.6033 11.2142 11.2142 11.4263 11.4263 11.8885 11.8885 k = 0.5833 0.0481 0.3402 ( 2432 PWs) bands (ev): -24.5212 -24.5212 -24.5054 -24.5054 -9.8597 -9.8597 -8.5001 -8.5001 -8.3205 -8.3205 -7.9703 -7.9703 -7.7988 -7.7988 -7.6997 -7.6997 -7.5770 -7.5770 4.5777 4.5777 4.7737 4.7737 4.8865 4.8865 8.5775 8.5775 11.2081 11.2081 11.4258 11.4258 11.9207 11.9207 k = 0.5875 0.0361 0.3470 ( 2436 PWs) bands (ev): -24.5222 -24.5222 -24.5041 -24.5041 -9.8680 -9.8680 -8.5095 -8.5095 -8.3298 -8.3298 -7.9625 -7.9625 -7.7940 -7.7940 -7.6949 -7.6949 -7.5662 -7.5662 4.5727 4.5727 4.7805 4.7805 4.8928 4.8928 8.5528 8.5528 11.1987 11.1987 11.4287 11.4287 11.9503 11.9503 k = 0.5917 0.0241 0.3538 ( 2431 PWs) bands (ev): -24.5233 -24.5233 -24.5027 -24.5027 -9.8760 -9.8760 -8.5182 -8.5182 -8.3387 -8.3387 -7.9554 -7.9554 -7.7900 -7.7900 -7.6895 -7.6895 -7.5558 -7.5558 4.5665 4.5665 4.7882 4.7882 4.8990 4.8990 8.5294 8.5294 11.1873 11.1873 11.4341 11.4341 11.9752 11.9752 k = 0.5958 0.0120 0.3606 ( 2435 PWs) bands (ev): -24.5246 -24.5246 -24.5011 -24.5011 -9.8836 -9.8836 -8.5261 -8.5261 -8.3472 -8.3472 -7.9493 -7.9493 -7.7866 -7.7866 -7.6833 -7.6833 -7.5461 -7.5461 4.5591 4.5591 4.7967 4.7967 4.9051 4.9051 8.5073 8.5073 11.1751 11.1751 11.4408 11.4408 11.9933 11.9933 k = 0.6000-0.0000 0.3674 ( 2433 PWs) bands (ev): -24.5260 -24.5260 -24.4995 -24.4995 -9.8907 -9.8907 -8.5333 -8.5333 -8.3553 -8.3553 -7.9444 -7.9444 -7.7834 -7.7834 -7.6765 -7.6765 -7.5372 -7.5372 4.5508 4.5508 4.8057 4.8057 4.9110 4.9110 8.4867 8.4867 11.1630 11.1630 11.4474 11.4474 12.0026 12.0026 k = 0.6042-0.0120 0.3742 ( 2437 PWs) bands (ev): -24.5274 -24.5274 -24.4978 -24.4978 -9.8973 -9.8973 -8.5399 -8.5399 -8.3630 -8.3630 -7.9407 -7.9407 -7.7802 -7.7802 -7.6692 -7.6692 -7.5293 -7.5293 4.5418 4.5418 4.8150 4.8150 4.9168 4.9168 8.4677 8.4677 11.1520 11.1520 11.4527 11.4527 12.0021 12.0021 k = 0.6083-0.0241 0.3810 ( 2438 PWs) bands (ev): -24.5290 -24.5290 -24.4959 -24.4959 -9.9032 -9.9032 -8.5458 -8.5458 -8.3702 -8.3702 -7.9384 -7.9384 -7.7767 -7.7767 -7.6615 -7.6615 -7.5225 -7.5225 4.5321 4.5321 4.8245 4.8245 4.9222 4.9222 8.4504 8.4504 11.1429 11.1429 11.4556 11.4556 11.9924 11.9924 k = 0.6125-0.0361 0.3878 ( 2438 PWs) bands (ev): -24.5308 -24.5308 -24.4940 -24.4940 -9.9086 -9.9086 -8.5511 -8.5511 -8.3769 -8.3769 -7.9374 -7.9374 -7.7726 -7.7726 -7.6535 -7.6535 -7.5169 -7.5169 4.5217 4.5217 4.8339 4.8339 4.9273 4.9273 8.4350 8.4350 11.1361 11.1361 11.4549 11.4549 11.9752 11.9752 k = 0.6167-0.0481 0.3946 ( 2432 PWs) bands (ev): -24.5326 -24.5326 -24.4920 -24.4920 -9.9132 -9.9132 -8.5557 -8.5557 -8.3830 -8.3830 -7.9376 -7.9376 -7.7680 -7.7680 -7.6453 -7.6453 -7.5124 -7.5124 4.5109 4.5109 4.8433 4.8433 4.9321 4.9321 8.4215 8.4215 11.1323 11.1323 11.4495 11.4495 11.9526 11.9526 k = 0.6208-0.0601 0.4014 ( 2432 PWs) bands (ev): -24.5346 -24.5346 -24.4899 -24.4899 -9.9171 -9.9171 -8.5599 -8.5599 -8.3887 -8.3887 -7.9391 -7.9391 -7.7629 -7.7629 -7.6371 -7.6371 -7.5091 -7.5091 4.4997 4.4997 4.8523 4.8523 4.9365 4.9365 8.4100 8.4100 11.1316 11.1316 11.4386 11.4386 11.9259 11.9259 k = 0.6250-0.0722 0.4082 ( 2430 PWs) bands (ev): -24.5366 -24.5366 -24.4876 -24.4876 -9.9202 -9.9202 -8.5636 -8.5636 -8.3938 -8.3938 -7.9414 -7.9414 -7.7574 -7.7574 -7.6290 -7.6290 -7.5071 -7.5071 4.4881 4.4881 4.8610 4.8610 4.9405 4.9405 8.4006 8.4006 11.1345 11.1345 11.4215 11.4215 11.8965 11.8965 k = 0.6250-0.0722 0.4082 ( 2430 PWs) bands (ev): -24.5366 -24.5366 -24.4876 -24.4876 -9.9202 -9.9202 -8.5636 -8.5636 -8.3938 -8.3938 -7.9414 -7.9414 -7.7574 -7.7574 -7.6290 -7.6290 -7.5071 -7.5071 4.4881 4.4881 4.8610 4.8610 4.9405 4.9405 8.4006 8.4006 11.1345 11.1345 11.4215 11.4215 11.8965 11.8965 k = 0.6181-0.0682 0.4196 ( 2435 PWs) bands (ev): -24.5366 -24.5366 -24.4877 -24.4877 -9.9202 -9.9202 -8.5649 -8.5649 -8.3917 -8.3917 -7.9418 -7.9418 -7.7593 -7.7593 -7.6274 -7.6274 -7.5072 -7.5072 4.4887 4.4887 4.8598 4.8598 4.9412 4.9412 8.4008 8.4008 11.1344 11.1344 11.4178 11.4178 11.9018 11.9018 k = 0.6111-0.0642 0.4309 ( 2435 PWs) bands (ev): -24.5363 -24.5363 -24.4880 -24.4880 -9.9205 -9.9205 -8.5687 -8.5687 -8.3858 -8.3858 -7.9427 -7.9427 -7.7645 -7.7645 -7.6231 -7.6231 -7.5073 -7.5073 4.4906 4.4906 4.8561 4.8561 4.9434 4.9434 8.4014 8.4014 11.1338 11.1338 11.4070 11.4070 11.9172 11.9172 k = 0.6042-0.0601 0.4423 ( 2435 PWs) bands (ev): -24.5359 -24.5359 -24.4884 -24.4884 -9.9208 -9.9208 -8.5744 -8.5744 -8.3765 -8.3765 -7.9444 -7.9444 -7.7725 -7.7725 -7.6167 -7.6167 -7.5075 -7.5075 4.4939 4.4939 4.8504 4.8504 4.9466 4.9466 8.4023 8.4023 11.1330 11.1330 11.3906 11.3906 11.9413 11.9413 k = 0.5972-0.0561 0.4536 ( 2434 PWs) bands (ev): -24.5353 -24.5353 -24.4889 -24.4889 -9.9213 -9.9213 -8.5814 -8.5814 -8.3645 -8.3645 -7.9468 -7.9468 -7.7823 -7.7823 -7.6089 -7.6089 -7.5078 -7.5078 4.4984 4.4984 4.8431 4.8431 4.9505 4.9505 8.4036 8.4036 11.1319 11.1319 11.3701 11.3701 11.9724 11.9724 k = 0.5903-0.0521 0.4649 ( 2446 PWs) bands (ev): -24.5346 -24.5346 -24.4896 -24.4896 -9.9219 -9.9219 -8.5892 -8.5892 -8.3503 -8.3503 -7.9501 -7.9501 -7.7934 -7.7934 -7.6003 -7.6003 -7.5082 -7.5082 4.5041 4.5041 4.8344 4.8344 4.9547 4.9547 8.4051 8.4051 11.1306 11.1306 11.3471 11.3471 12.0092 12.0092 k = 0.5833-0.0481 0.4763 ( 2448 PWs) bands (ev): -24.5338 -24.5338 -24.4905 -24.4905 -9.9226 -9.9226 -8.5972 -8.5972 -8.3345 -8.3345 -7.9543 -7.9543 -7.8050 -7.8050 -7.5914 -7.5914 -7.5087 -7.5087 4.5110 4.5110 4.8248 4.8248 4.9590 4.9590 8.4069 8.4069 11.1293 11.1293 11.3228 11.3228 12.0504 12.0504 k = 0.5764-0.0441 0.4876 ( 2447 PWs) bands (ev): -24.5327 -24.5327 -24.4915 -24.4915 -9.9235 -9.9235 -8.6052 -8.6052 -8.3174 -8.3174 -7.9595 -7.9595 -7.8166 -7.8166 -7.5824 -7.5824 -7.5093 -7.5093 4.5190 4.5190 4.8142 4.8142 4.9632 4.9632 8.4087 8.4087 11.1280 11.1280 11.2982 11.2982 12.0950 12.0950 k = 0.5694-0.0401 0.4990 ( 2440 PWs) bands (ev): -24.5315 -24.5315 -24.4926 -24.4926 -9.9243 -9.9243 -8.6129 -8.6129 -8.2993 -8.2993 -7.9660 -7.9660 -7.8279 -7.8279 -7.5737 -7.5737 -7.5100 -7.5100 4.5282 4.5282 4.8030 4.8030 4.9672 4.9672 8.4106 8.4106 11.1269 11.1269 11.2740 11.2740 12.1422 12.1422 k = 0.5625-0.0361 0.5103 ( 2438 PWs) bands (ev): -24.5302 -24.5302 -24.4939 -24.4939 -9.9253 -9.9253 -8.6202 -8.6202 -8.2806 -8.2806 -7.9739 -7.9739 -7.8386 -7.8386 -7.5654 -7.5654 -7.5107 -7.5107 4.5383 4.5383 4.7911 4.7911 4.9709 4.9709 8.4124 8.4124 11.1261 11.1261 11.2507 11.2507 12.1915 12.1915 k = 0.5556-0.0321 0.5217 ( 2448 PWs) bands (ev): -24.5287 -24.5287 -24.4954 -24.4954 -9.9263 -9.9263 -8.6268 -8.6268 -8.2614 -8.2614 -7.9833 -7.9833 -7.8483 -7.8483 -7.5576 -7.5576 -7.5115 -7.5115 4.5495 4.5495 4.7787 4.7787 4.9743 4.9743 8.4141 8.4141 11.1256 11.1256 11.2288 11.2288 12.2358 12.2358 k = 0.5486-0.0281 0.5330 ( 2452 PWs) bands (ev): -24.5271 -24.5271 -24.4970 -24.4970 -9.9272 -9.9272 -8.6328 -8.6328 -8.2419 -8.2419 -7.9940 -7.9940 -7.8568 -7.8568 -7.5504 -7.5504 -7.5123 -7.5123 4.5615 4.5615 4.7658 4.7658 4.9773 4.9773 8.4157 8.4157 11.1255 11.1255 11.2087 11.2087 12.2174 12.2174 k = 0.5417-0.0241 0.5443 ( 2452 PWs) bands (ev): -24.5253 -24.5253 -24.4987 -24.4987 -9.9282 -9.9282 -8.6380 -8.6380 -8.2222 -8.2222 -8.0062 -8.0062 -7.8642 -7.8642 -7.5439 -7.5439 -7.5132 -7.5132 4.5742 4.5742 4.7524 4.7524 4.9799 4.9799 8.4170 8.4170 11.1260 11.1260 11.1905 11.1905 12.2024 12.2024 k = 0.5347-0.0200 0.5557 ( 2452 PWs) bands (ev): -24.5234 -24.5234 -24.5006 -24.5006 -9.9291 -9.9291 -8.6424 -8.6424 -8.2027 -8.2027 -8.0194 -8.0194 -7.8703 -7.8703 -7.5382 -7.5382 -7.5142 -7.5142 4.5877 4.5877 4.7386 4.7386 4.9822 4.9822 8.4180 8.4180 11.1269 11.1269 11.1747 11.1747 12.1907 12.1907 k = 0.5278-0.0160 0.5670 ( 2454 PWs) bands (ev): -24.5214 -24.5214 -24.5026 -24.5026 -9.9299 -9.9299 -8.6460 -8.6460 -8.1835 -8.1835 -8.0335 -8.0335 -7.8752 -7.8752 -7.5333 -7.5333 -7.5152 -7.5152 4.6018 4.6018 4.7245 4.7245 4.9840 4.9840 8.4187 8.4187 11.1282 11.1282 11.1612 11.1612 12.1822 12.1822 k = 0.5208-0.0120 0.5784 ( 2456 PWs) bands (ev): -24.5192 -24.5192 -24.5048 -24.5048 -9.9306 -9.9306 -8.6488 -8.6488 -8.1651 -8.1651 -8.0480 -8.0480 -7.8791 -7.8791 -7.5292 -7.5292 -7.5162 -7.5162 4.6163 4.6163 4.7101 4.7101 4.9854 4.9854 8.4192 8.4192 11.1298 11.1298 11.1505 11.1505 12.1767 12.1767 k = 0.5139-0.0080 0.5897 ( 2461 PWs) bands (ev): -24.5169 -24.5169 -24.5071 -24.5071 -9.9311 -9.9311 -8.6508 -8.6508 -8.1481 -8.1481 -8.0622 -8.0622 -7.8819 -7.8819 -7.5262 -7.5262 -7.5170 -7.5170 4.6311 4.6311 4.6955 4.6955 4.9865 4.9865 8.4195 8.4195 11.1313 11.1313 11.1426 11.1426 12.1736 12.1736 k = 0.5069-0.0040 0.6010 ( 2468 PWs) bands (ev): -24.5145 -24.5145 -24.5095 -24.5095 -9.9315 -9.9315 -8.6520 -8.6520 -8.1344 -8.1344 -8.0742 -8.0742 -7.8836 -7.8836 -7.5243 -7.5243 -7.5176 -7.5176 4.6456 4.6456 4.6812 4.6812 4.9871 4.9871 8.4196 8.4196 11.1322 11.1322 11.1380 11.1380 12.1725 12.1725 k = 0.5000-0.0000 0.6124 ( 2468 PWs) bands (ev): -24.5120 -24.5120 -24.5120 -24.5120 -9.9316 -9.9316 -8.6524 -8.6524 -8.1285 -8.1285 -8.0795 -8.0795 -7.8842 -7.8842 -7.5237 -7.5237 -7.5178 -7.5178 4.6549 4.6549 4.6720 4.6720 4.9873 4.9873 8.4196 8.4196 11.1321 11.1321 11.1369 11.1369 12.1724 12.1724 k = 0.5000-0.0000 0.6124 ( 2468 PWs) bands (ev): -24.5120 -24.5120 -24.5120 -24.5120 -9.9316 -9.9316 -8.6524 -8.6524 -8.1285 -8.1285 -8.0795 -8.0795 -7.8842 -7.8842 -7.5237 -7.5237 -7.5178 -7.5178 4.6549 4.6549 4.6720 4.6720 4.9873 4.9873 8.4196 8.4196 11.1321 11.1321 11.1369 11.1369 12.1724 12.1724 k = 0.5000 0.0082 0.6007 ( 2468 PWs) bands (ev): -24.5120 -24.5120 -24.5120 -24.5120 -9.9312 -9.9312 -8.6518 -8.6518 -8.1290 -8.1290 -8.0795 -8.0795 -7.8836 -7.8836 -7.5242 -7.5242 -7.5183 -7.5183 4.6549 4.6549 4.6720 4.6720 4.9868 4.9868 8.4204 8.4204 11.1329 11.1329 11.1378 11.1378 12.1696 12.1696 k = 0.5000 0.0165 0.5890 ( 2462 PWs) bands (ev): -24.5120 -24.5120 -24.5120 -24.5120 -9.9301 -9.9301 -8.6502 -8.6502 -8.1306 -8.1306 -8.0795 -8.0795 -7.8818 -7.8818 -7.5258 -7.5258 -7.5197 -7.5197 4.6550 4.6550 4.6721 4.6721 4.9854 4.9854 8.4227 8.4227 11.1349 11.1349 11.1408 11.1408 12.1613 12.1613 k = 0.5000 0.0247 0.5774 ( 2450 PWs) bands (ev): -24.5120 -24.5120 -24.5120 -24.5120 -9.9283 -9.9283 -8.6476 -8.6476 -8.1331 -8.1331 -8.0794 -8.0794 -7.8789 -7.8789 -7.5284 -7.5284 -7.5221 -7.5221 4.6550 4.6550 4.6724 4.6724 4.9831 4.9831 8.4266 8.4266 11.1375 11.1375 11.1466 11.1466 12.1483 12.1483 k = 0.5000 0.0330 0.5657 ( 2450 PWs) bands (ev): -24.5121 -24.5121 -24.5121 -24.5121 -9.9257 -9.9257 -8.6439 -8.6439 -8.1364 -8.1364 -8.0793 -8.0793 -7.8752 -7.8752 -7.5321 -7.5321 -7.5255 -7.5255 4.6547 4.6547 4.6730 4.6730 4.9800 4.9800 8.4321 8.4321 11.1406 11.1406 11.1550 11.1550 12.1315 12.1315 k = 0.5000 0.0412 0.5541 ( 2446 PWs) bands (ev): -24.5122 -24.5122 -24.5121 -24.5121 -9.9225 -9.9225 -8.6392 -8.6392 -8.1405 -8.1405 -8.0793 -8.0793 -7.8705 -7.8705 -7.5368 -7.5368 -7.5297 -7.5297 4.6540 4.6540 4.6742 4.6742 4.9759 4.9759 8.4391 8.4391 11.1442 11.1442 11.1658 11.1658 12.1117 12.1117 k = 0.5000 0.0495 0.5424 ( 2446 PWs) bands (ev): -24.5122 -24.5122 -24.5122 -24.5122 -9.9185 -9.9185 -8.6335 -8.6335 -8.1452 -8.1452 -8.0793 -8.0793 -7.8652 -7.8652 -7.5425 -7.5425 -7.5348 -7.5348 4.6528 4.6528 4.6759 4.6759 4.9711 4.9711 8.4477 8.4477 11.1484 11.1484 11.1789 11.1789 12.0899 12.0899 k = 0.5000 0.0577 0.5307 ( 2442 PWs) bands (ev): -24.5123 -24.5123 -24.5123 -24.5123 -9.9139 -9.9139 -8.6267 -8.6267 -8.1502 -8.1502 -8.0793 -8.0793 -7.8595 -7.8595 -7.5492 -7.5492 -7.5408 -7.5408 4.6511 4.6511 4.6783 4.6783 4.9656 4.9656 8.4579 8.4579 11.1530 11.1530 11.1940 11.1940 12.0667 12.0667 k = 0.5000 0.0660 0.5191 ( 2446 PWs) bands (ev): -24.5125 -24.5125 -24.5124 -24.5124 -9.9087 -9.9087 -8.6190 -8.6190 -8.1556 -8.1556 -8.0793 -8.0793 -7.8534 -7.8534 -7.5570 -7.5570 -7.5474 -7.5474 4.6487 4.6487 4.6813 4.6813 4.9593 4.9593 8.4697 8.4697 11.1579 11.1579 11.2111 11.2111 12.0427 12.0427 k = 0.5000 0.0742 0.5074 ( 2446 PWs) bands (ev): -24.5126 -24.5126 -24.5125 -24.5125 -9.9029 -9.9029 -8.6103 -8.6103 -8.1611 -8.1611 -8.0793 -8.0793 -7.8472 -7.8472 -7.5656 -7.5656 -7.5548 -7.5548 4.6458 4.6458 4.6849 4.6849 4.9524 4.9524 8.4831 8.4831 11.1629 11.1629 11.2298 11.2298 12.0181 12.0181 k = 0.5000 0.0825 0.4957 ( 2444 PWs) bands (ev): -24.5127 -24.5127 -24.5126 -24.5126 -9.8965 -9.8965 -8.6007 -8.6007 -8.1665 -8.1665 -8.0793 -8.0793 -7.8411 -7.8411 -7.5752 -7.5752 -7.5626 -7.5626 4.6425 4.6425 4.6889 4.6889 4.9450 4.9450 8.4981 8.4981 11.1680 11.1680 11.2500 11.2500 11.9934 11.9934 k = 0.5000 0.0907 0.4841 ( 2442 PWs) bands (ev): -24.5129 -24.5129 -24.5127 -24.5127 -9.8896 -9.8896 -8.5902 -8.5902 -8.1719 -8.1719 -8.0792 -8.0792 -7.8352 -7.8352 -7.5857 -7.5857 -7.5709 -7.5709 4.6386 4.6386 4.6934 4.6934 4.9372 4.9372 8.5146 8.5146 11.1729 11.1729 11.2713 11.2713 11.9686 11.9686 k = 0.5000 0.0990 0.4724 ( 2442 PWs) bands (ev): -24.5130 -24.5130 -24.5128 -24.5128 -9.8823 -9.8823 -8.5788 -8.5788 -8.1772 -8.1772 -8.0792 -8.0792 -7.8299 -7.8299 -7.5970 -7.5970 -7.5795 -7.5795 4.6344 4.6344 4.6983 4.6983 4.9290 4.9290 8.5327 8.5327 11.1774 11.1774 11.2936 11.2936 11.9438 11.9438 k = 0.5000 0.1072 0.4607 ( 2442 PWs) bands (ev): -24.5132 -24.5132 -24.5129 -24.5129 -9.8746 -9.8746 -8.5665 -8.5665 -8.1821 -8.1821 -8.0792 -8.0792 -7.8252 -7.8252 -7.6092 -7.6092 -7.5881 -7.5881 4.6297 4.6297 4.7035 4.7035 4.9205 4.9205 8.5522 8.5522 11.1814 11.1814 11.3165 11.3165 11.9189 11.9189 k = 0.5000 0.1155 0.4491 ( 2438 PWs) bands (ev): -24.5133 -24.5133 -24.5130 -24.5130 -9.8664 -9.8664 -8.5534 -8.5534 -8.1867 -8.1867 -8.0791 -8.0791 -7.8214 -7.8214 -7.6222 -7.6222 -7.5966 -7.5966 4.6247 4.6247 4.7089 4.7089 4.9119 4.9119 8.5732 8.5732 11.1847 11.1847 11.3397 11.3397 11.8940 11.8940 k = 0.5000 0.1237 0.4374 ( 2446 PWs) bands (ev): -24.5135 -24.5135 -24.5132 -24.5132 -9.8581 -9.8581 -8.5397 -8.5397 -8.1909 -8.1909 -8.0789 -8.0789 -7.8189 -7.8189 -7.6360 -7.6360 -7.6047 -7.6047 4.6192 4.6192 4.7146 4.7146 4.9032 4.9032 8.5954 8.5954 11.1870 11.1870 11.3628 11.3628 11.8690 11.8690 k = 0.5000 0.1320 0.4257 ( 2442 PWs) bands (ev): -24.5137 -24.5137 -24.5133 -24.5133 -9.8494 -9.8494 -8.5251 -8.5251 -8.1945 -8.1945 -8.0787 -8.0787 -7.8178 -7.8178 -7.6506 -7.6506 -7.6121 -7.6121 4.6135 4.6135 4.7205 4.7205 4.8945 4.8945 8.6189 8.6189 11.1884 11.1884 11.3854 11.3854 11.8437 11.8437 k = 0.5000 0.1402 0.4141 ( 2446 PWs) bands (ev): -24.5139 -24.5139 -24.5135 -24.5135 -9.8406 -9.8406 -8.5100 -8.5100 -8.1977 -8.1977 -8.0784 -8.0784 -7.8184 -7.8184 -7.6658 -7.6658 -7.6185 -7.6185 4.6074 4.6074 4.7265 4.7265 4.8860 4.8860 8.6435 8.6435 11.1885 11.1885 11.4071 11.4071 11.8180 11.8180 k = 0.5000 0.1485 0.4024 ( 2448 PWs) bands (ev): -24.5141 -24.5141 -24.5136 -24.5136 -9.8317 -9.8317 -8.4942 -8.4942 -8.2002 -8.2002 -8.0780 -8.0780 -7.8209 -7.8209 -7.6818 -7.6818 -7.6238 -7.6238 4.6011 4.6011 4.7326 4.7326 4.8776 4.8776 8.6690 8.6690 11.1875 11.1875 11.4276 11.4276 11.7920 11.7920 k = 0.5000 0.1567 0.3908 ( 2440 PWs) bands (ev): -24.5142 -24.5142 -24.5138 -24.5138 -9.8228 -9.8228 -8.4779 -8.4779 -8.2021 -8.2021 -8.0774 -8.0774 -7.8253 -7.8253 -7.6983 -7.6983 -7.6278 -7.6278 4.5946 4.5946 4.7387 4.7387 4.8696 4.8696 8.6953 8.6953 11.1852 11.1852 11.4465 11.4465 11.7656 11.7656 k = 0.5000 0.1650 0.3791 ( 2442 PWs) bands (ev): -24.5144 -24.5144 -24.5139 -24.5139 -9.8139 -9.8139 -8.4612 -8.4612 -8.2033 -8.2033 -8.0768 -8.0768 -7.8317 -7.8317 -7.7155 -7.7155 -7.6305 -7.6305 4.5880 4.5880 4.7447 4.7447 4.8619 4.8619 8.7222 8.7222 11.1816 11.1816 11.4634 11.4634 11.7390 11.7390 k = 0.5000 0.1732 0.3674 ( 2444 PWs) bands (ev): -24.5146 -24.5146 -24.5140 -24.5140 -9.8052 -9.8052 -8.4441 -8.4441 -8.2039 -8.2039 -8.0759 -8.0759 -7.8398 -7.8398 -7.7332 -7.7332 -7.6319 -7.6319 4.5812 4.5812 4.7507 4.7507 4.8546 4.8546 8.7494 8.7494 11.1768 11.1768 11.4779 11.4779 11.7125 11.7125 k = 0.5000 0.1815 0.3558 ( 2446 PWs) bands (ev): -24.5148 -24.5148 -24.5142 -24.5142 -9.7966 -9.7966 -8.4268 -8.4268 -8.2037 -8.2037 -8.0748 -8.0748 -7.8495 -7.8495 -7.7513 -7.7513 -7.6323 -7.6323 4.5744 4.5744 4.7565 4.7565 4.8478 4.8478 8.7767 8.7767 11.1709 11.1709 11.4900 11.4900 11.6862 11.6862 k = 0.5000 0.1897 0.3441 ( 2442 PWs) bands (ev): -24.5149 -24.5149 -24.5143 -24.5143 -9.7883 -9.7883 -8.4093 -8.4093 -8.2028 -8.2028 -8.0734 -8.0734 -7.8605 -7.8605 -7.7698 -7.7698 -7.6317 -7.6317 4.5677 4.5677 4.7621 4.7621 4.8415 4.8415 8.8039 8.8039 11.1641 11.1641 11.4995 11.4995 11.6606 11.6606 k = 0.5000 0.1979 0.3324 ( 2446 PWs) bands (ev): -24.5151 -24.5151 -24.5144 -24.5144 -9.7804 -9.7804 -8.3919 -8.3919 -8.2013 -8.2013 -8.0717 -8.0717 -7.8726 -7.8726 -7.7887 -7.7887 -7.6306 -7.6306 4.5611 4.5611 4.7673 4.7673 4.8358 4.8358 8.8306 8.8306 11.1564 11.1564 11.5063 11.5063 11.6359 11.6359 k = 0.5000 0.2062 0.3208 ( 2444 PWs) bands (ev): -24.5152 -24.5152 -24.5145 -24.5145 -9.7728 -9.7728 -8.3746 -8.3746 -8.1990 -8.1990 -8.0697 -8.0697 -7.8852 -7.8852 -7.8078 -7.8078 -7.6289 -7.6289 4.5547 4.5547 4.7723 4.7723 4.8306 4.8306 8.8566 8.8566 11.1481 11.1481 11.5106 11.5106 11.6126 11.6126 k = 0.5000 0.2144 0.3091 ( 2442 PWs) bands (ev): -24.5154 -24.5154 -24.5146 -24.5146 -9.7658 -9.7658 -8.3577 -8.3577 -8.1960 -8.1960 -8.0671 -8.0671 -7.8982 -7.8982 -7.8270 -7.8270 -7.6270 -7.6270 4.5486 4.5486 4.7767 4.7767 4.8262 4.8262 8.8815 8.8815 11.1395 11.1395 11.5125 11.5125 11.5909 11.5909 k = 0.5000 0.2227 0.2974 ( 2442 PWs) bands (ev): -24.5155 -24.5155 -24.5147 -24.5147 -9.7592 -9.7592 -8.3415 -8.3415 -8.1923 -8.1923 -8.0640 -8.0640 -7.9113 -7.9113 -7.8462 -7.8462 -7.6250 -7.6250 4.5429 4.5429 4.7807 4.7807 4.8224 4.8224 8.9050 8.9050 11.1307 11.1307 11.5124 11.5124 11.5712 11.5712 k = 0.5000 0.2309 0.2858 ( 2452 PWs) bands (ev): -24.5156 -24.5156 -24.5148 -24.5148 -9.7533 -9.7533 -8.3262 -8.3262 -8.1882 -8.1882 -8.0603 -8.0603 -7.9242 -7.9242 -7.8653 -7.8653 -7.6230 -7.6230 4.5377 4.5377 4.7840 4.7840 4.8193 4.8193 8.9268 8.9268 11.1222 11.1222 11.5107 11.5107 11.5536 11.5536 k = 0.5000 0.2392 0.2741 ( 2450 PWs) bands (ev): -24.5157 -24.5157 -24.5149 -24.5149 -9.7481 -9.7481 -8.3121 -8.3121 -8.1835 -8.1835 -8.0559 -8.0559 -7.9365 -7.9365 -7.8840 -7.8840 -7.6211 -7.6211 4.5330 4.5330 4.7866 4.7866 4.8170 4.8170 8.9465 8.9465 11.1140 11.1140 11.5078 11.5078 11.5383 11.5383 k = 0.5000 0.2474 0.2624 ( 2446 PWs) bands (ev): -24.5158 -24.5158 -24.5150 -24.5150 -9.7436 -9.7436 -8.2995 -8.2995 -8.1785 -8.1785 -8.0506 -8.0506 -7.9480 -7.9480 -7.9021 -7.9021 -7.6193 -7.6193 4.5289 4.5289 4.7885 4.7885 4.8155 4.8155 8.9638 8.9638 11.1066 11.1066 11.5041 11.5041 11.5256 11.5256 k = 0.5000 0.2557 0.2508 ( 2448 PWs) bands (ev): -24.5159 -24.5159 -24.5150 -24.5150 -9.7398 -9.7398 -8.2887 -8.2887 -8.1735 -8.1735 -8.0446 -8.0446 -7.9583 -7.9583 -7.9193 -7.9193 -7.6178 -7.6178 4.5255 4.5255 4.7897 4.7897 4.8146 4.8146 8.9784 8.9784 11.1001 11.1001 11.5000 11.5000 11.5154 11.5154 k = 0.5000 0.2639 0.2391 ( 2454 PWs) bands (ev): -24.5159 -24.5159 -24.5151 -24.5151 -9.7368 -9.7368 -8.2801 -8.2801 -8.1689 -8.1689 -8.0380 -8.0380 -7.9670 -7.9670 -7.9352 -7.9352 -7.6166 -7.6166 4.5227 4.5227 4.7904 4.7904 4.8143 4.8143 8.9901 8.9901 11.0949 11.0949 11.4958 11.4958 11.5080 11.5080 k = 0.5000 0.2722 0.2275 ( 2456 PWs) bands (ev): -24.5160 -24.5160 -24.5151 -24.5151 -9.7347 -9.7347 -8.2738 -8.2738 -8.1650 -8.1650 -8.0312 -8.0312 -7.9736 -7.9736 -7.9488 -7.9488 -7.6157 -7.6157 4.5208 4.5208 4.7907 4.7907 4.8142 4.8142 8.9986 8.9986 11.0909 11.0909 11.4922 11.4922 11.5031 11.5031 k = 0.5000 0.2804 0.2158 ( 2452 PWs) bands (ev): -24.5160 -24.5160 -24.5151 -24.5151 -9.7334 -9.7334 -8.2700 -8.2700 -8.1624 -8.1624 -8.0256 -8.0256 -7.9777 -7.9777 -7.9587 -7.9587 -7.6151 -7.6151 4.5196 4.5196 4.7908 4.7908 4.8142 4.8142 9.0037 9.0037 11.0885 11.0885 11.4897 11.4897 11.5003 11.5003 k = 0.5000 0.2887 0.2041 ( 2452 PWs) bands (ev): -24.5160 -24.5160 -24.5152 -24.5152 -9.7329 -9.7329 -8.2687 -8.2687 -8.1615 -8.1615 -8.0233 -8.0233 -7.9791 -7.9791 -7.9625 -7.9625 -7.6149 -7.6149 4.5192 4.5192 4.7908 4.7908 4.8143 4.8143 9.0055 9.0055 11.0877 11.0877 11.4888 11.4888 11.4994 11.4994 k = 0.5000 0.2887 0.2041 ( 2452 PWs) bands (ev): -24.5160 -24.5160 -24.5152 -24.5152 -9.7329 -9.7329 -8.2687 -8.2687 -8.1615 -8.1615 -8.0233 -8.0233 -7.9791 -7.9791 -7.9625 -7.9625 -7.6149 -7.6149 4.5192 4.5192 4.7908 4.7908 4.8143 4.8143 9.0055 9.0055 11.0877 11.0877 11.4888 11.4888 11.4994 11.4994 k = 0.4958 0.2863 0.2177 ( 2452 PWs) bands (ev): -24.5160 -24.5160 -24.5151 -24.5151 -9.7334 -9.7334 -8.2700 -8.2700 -8.1624 -8.1624 -8.0256 -8.0256 -7.9777 -7.9777 -7.9586 -7.9586 -7.6151 -7.6151 4.5196 4.5196 4.7908 4.7908 4.8142 4.8142 9.0037 9.0037 11.0886 11.0886 11.4897 11.4897 11.5003 11.5003 k = 0.4917 0.2839 0.2313 ( 2458 PWs) bands (ev): -24.5160 -24.5160 -24.5151 -24.5151 -9.7347 -9.7347 -8.2739 -8.2739 -8.1651 -8.1651 -8.0313 -8.0313 -7.9735 -7.9735 -7.9486 -7.9486 -7.6157 -7.6157 4.5208 4.5208 4.7907 4.7907 4.8142 4.8142 8.9984 8.9984 11.0910 11.0910 11.4922 11.4922 11.5031 11.5031 k = 0.4875 0.2815 0.2449 ( 2454 PWs) bands (ev): -24.5159 -24.5159 -24.5151 -24.5151 -9.7369 -9.7369 -8.2803 -8.2803 -8.1691 -8.1691 -8.0380 -8.0380 -7.9669 -7.9669 -7.9346 -7.9346 -7.6166 -7.6166 4.5228 4.5228 4.7904 4.7904 4.8143 4.8143 8.9898 8.9898 11.0950 11.0950 11.4960 11.4960 11.5082 11.5082 k = 0.4833 0.2791 0.2586 ( 2446 PWs) bands (ev): -24.5159 -24.5159 -24.5150 -24.5150 -9.7399 -9.7399 -8.2890 -8.2890 -8.1741 -8.1741 -8.0442 -8.0442 -7.9585 -7.9585 -7.9184 -7.9184 -7.6178 -7.6178 4.5256 4.5256 4.7897 4.7897 4.8146 4.8146 8.9779 8.9779 11.1004 11.1004 11.5002 11.5002 11.5157 11.5157 k = 0.4792 0.2766 0.2722 ( 2448 PWs) bands (ev): -24.5158 -24.5158 -24.5150 -24.5150 -9.7438 -9.7438 -8.2997 -8.2997 -8.1799 -8.1799 -8.0493 -8.0493 -7.9489 -7.9489 -7.9006 -7.9006 -7.6194 -7.6194 4.5291 4.5291 4.7885 4.7885 4.8155 4.8155 8.9630 8.9630 11.1071 11.1071 11.5044 11.5044 11.5260 11.5260 k = 0.4750 0.2742 0.2858 ( 2442 PWs) bands (ev): -24.5157 -24.5157 -24.5148 -24.5148 -9.7484 -9.7484 -8.3121 -8.3121 -8.1864 -8.1864 -8.0527 -8.0527 -7.9383 -7.9383 -7.8819 -7.8819 -7.6211 -7.6211 4.5332 4.5332 4.7867 4.7867 4.8170 4.8170 8.9453 8.9453 11.1148 11.1148 11.5082 11.5082 11.5389 11.5389 k = 0.4708 0.2718 0.2994 ( 2445 PWs) bands (ev): -24.5157 -24.5157 -24.5147 -24.5147 -9.7537 -9.7537 -8.3257 -8.3257 -8.1937 -8.1937 -8.0543 -8.0543 -7.9272 -7.9272 -7.8626 -7.8626 -7.6231 -7.6231 4.5380 4.5380 4.7842 4.7842 4.8192 4.8192 8.9252 8.9252 11.1234 11.1234 11.5110 11.5110 11.5543 11.5543 k = 0.4667 0.2694 0.3130 ( 2443 PWs) bands (ev): -24.5157 -24.5157 -24.5145 -24.5145 -9.7598 -9.7598 -8.3401 -8.3401 -8.2017 -8.2017 -8.0540 -8.0540 -7.9157 -7.9157 -7.8432 -7.8432 -7.6251 -7.6251 4.5432 4.5432 4.7812 4.7812 4.8220 4.8220 8.9030 8.9030 11.1328 11.1328 11.5125 11.5125 11.5721 11.5721 k = 0.4625 0.2670 0.3266 ( 2448 PWs) bands (ev): -24.5158 -24.5158 -24.5142 -24.5142 -9.7664 -9.7664 -8.3550 -8.3550 -8.2104 -8.2104 -8.0521 -8.0521 -7.9041 -7.9041 -7.8238 -7.8238 -7.6271 -7.6271 4.5488 4.5488 4.7778 4.7778 4.8255 4.8255 8.8789 8.8789 11.1427 11.1427 11.5121 11.5121 11.5922 11.5922 k = 0.4583 0.2646 0.3402 ( 2447 PWs) bands (ev): -24.5160 -24.5160 -24.5138 -24.5138 -9.7736 -9.7736 -8.3701 -8.3701 -8.2196 -8.2196 -8.0485 -8.0485 -7.8925 -7.8925 -7.8048 -7.8048 -7.6288 -7.6288 4.5546 4.5546 4.7742 4.7742 4.8294 4.8294 8.8534 8.8534 11.1530 11.1530 11.5094 11.5094 11.6145 11.6145 k = 0.4542 0.2622 0.3538 ( 2445 PWs) bands (ev): -24.5161 -24.5161 -24.5133 -24.5133 -9.7813 -9.7813 -8.3852 -8.3852 -8.2293 -8.2293 -8.0435 -8.0435 -7.8810 -7.8810 -7.7866 -7.7866 -7.6301 -7.6301 4.5605 4.5605 4.7705 4.7705 4.8339 4.8339 8.8267 8.8267 11.1636 11.1636 11.5042 11.5042 11.6389 11.6389 k = 0.4500 0.2598 0.3674 ( 2445 PWs) bands (ev): -24.5164 -24.5164 -24.5128 -24.5128 -9.7894 -9.7894 -8.4001 -8.4001 -8.2394 -8.2394 -8.0374 -8.0374 -7.8696 -7.8696 -7.7695 -7.7695 -7.6306 -7.6306 4.5662 4.5662 4.7671 4.7671 4.8388 4.8388 8.7991 8.7991 11.1742 11.1742 11.4966 11.4966 11.6653 11.6653 k = 0.4458 0.2574 0.3810 ( 2443 PWs) bands (ev): -24.5167 -24.5167 -24.5122 -24.5122 -9.7978 -9.7978 -8.4147 -8.4147 -8.2496 -8.2496 -8.0303 -8.0303 -7.8585 -7.8585 -7.7539 -7.7539 -7.6299 -7.6299 4.5716 4.5716 4.7641 4.7641 4.8440 4.8440 8.7709 8.7709 11.1846 11.1846 11.4867 11.4867 11.6936 11.6936 k = 0.4417 0.2550 0.3946 ( 2443 PWs) bands (ev): -24.5171 -24.5171 -24.5115 -24.5115 -9.8065 -9.8065 -8.4288 -8.4288 -8.2600 -8.2600 -8.0225 -8.0225 -7.8479 -7.8479 -7.7404 -7.7404 -7.6276 -7.6276 4.5763 4.5763 4.7617 4.7617 4.8496 4.8496 8.7424 8.7424 11.1944 11.1944 11.4750 11.4750 11.7235 11.7235 k = 0.4375 0.2526 0.4082 ( 2443 PWs) bands (ev): -24.5176 -24.5176 -24.5107 -24.5107 -9.8153 -9.8153 -8.4424 -8.4424 -8.2704 -8.2704 -8.0142 -8.0142 -7.8377 -7.8377 -7.7291 -7.7291 -7.6234 -7.6234 4.5800 4.5800 4.7604 4.7604 4.8553 4.8553 8.7139 8.7139 11.2033 11.2033 11.4625 11.4625 11.7550 11.7550 k = 0.4333 0.2502 0.4219 ( 2443 PWs) bands (ev): -24.5181 -24.5181 -24.5098 -24.5098 -9.8243 -9.8243 -8.4553 -8.4553 -8.2808 -8.2808 -8.0054 -8.0054 -7.8282 -7.8282 -7.7204 -7.7204 -7.6169 -7.6169 4.5826 4.5826 4.7602 4.7602 4.8613 4.8613 8.6855 8.6855 11.2104 11.2104 11.4501 11.4501 11.7876 11.7876 k = 0.4292 0.2478 0.4355 ( 2446 PWs) bands (ev): -24.5187 -24.5187 -24.5089 -24.5089 -9.8333 -9.8333 -8.4676 -8.4676 -8.2910 -8.2910 -7.9965 -7.9965 -7.8194 -7.8194 -7.7137 -7.7137 -7.6085 -7.6085 4.5837 4.5837 4.7613 4.7613 4.8675 4.8675 8.6574 8.6574 11.2152 11.2152 11.4392 11.4392 11.8211 11.8211 k = 0.4250 0.2454 0.4491 ( 2444 PWs) bands (ev): -24.5195 -24.5195 -24.5078 -24.5078 -9.8422 -9.8422 -8.4792 -8.4792 -8.3011 -8.3011 -7.9875 -7.9875 -7.8116 -7.8116 -7.7085 -7.7085 -7.5987 -7.5987 4.5833 4.5833 4.7640 4.7640 4.8738 4.8738 8.6300 8.6300 11.2166 11.2166 11.4309 11.4309 11.8550 11.8550 k = 0.4208 0.2430 0.4627 ( 2440 PWs) bands (ev): -24.5203 -24.5203 -24.5067 -24.5067 -9.8511 -9.8511 -8.4900 -8.4900 -8.3109 -8.3109 -7.9788 -7.9788 -7.8047 -7.8047 -7.7041 -7.7041 -7.5880 -7.5880 4.5813 4.5813 4.7682 4.7682 4.8801 4.8801 8.6033 8.6033 11.2142 11.2142 11.4263 11.4263 11.8885 11.8885 k = 0.4167 0.2406 0.4763 ( 2432 PWs) bands (ev): -24.5212 -24.5212 -24.5054 -24.5054 -9.8597 -9.8597 -8.5001 -8.5001 -8.3205 -8.3205 -7.9703 -7.9703 -7.7988 -7.7988 -7.6997 -7.6997 -7.5770 -7.5770 4.5777 4.5777 4.7737 4.7737 4.8865 4.8865 8.5775 8.5775 11.2081 11.2081 11.4258 11.4258 11.9207 11.9207 k = 0.4125 0.2382 0.4899 ( 2436 PWs) bands (ev): -24.5222 -24.5222 -24.5041 -24.5041 -9.8680 -9.8680 -8.5095 -8.5095 -8.3298 -8.3298 -7.9625 -7.9625 -7.7940 -7.7940 -7.6949 -7.6949 -7.5662 -7.5662 4.5727 4.5727 4.7805 4.7805 4.8928 4.8928 8.5528 8.5528 11.1987 11.1987 11.4287 11.4287 11.9503 11.9503 k = 0.4083 0.2358 0.5035 ( 2431 PWs) bands (ev): -24.5233 -24.5233 -24.5027 -24.5027 -9.8760 -9.8760 -8.5182 -8.5182 -8.3387 -8.3387 -7.9554 -7.9554 -7.7900 -7.7900 -7.6895 -7.6895 -7.5558 -7.5558 4.5665 4.5665 4.7882 4.7882 4.8990 4.8990 8.5294 8.5294 11.1873 11.1873 11.4341 11.4341 11.9752 11.9752 k = 0.4042 0.2333 0.5171 ( 2435 PWs) bands (ev): -24.5246 -24.5246 -24.5011 -24.5011 -9.8836 -9.8836 -8.5261 -8.5261 -8.3472 -8.3472 -7.9493 -7.9493 -7.7866 -7.7866 -7.6833 -7.6833 -7.5461 -7.5461 4.5591 4.5591 4.7967 4.7967 4.9051 4.9051 8.5073 8.5073 11.1751 11.1751 11.4408 11.4408 11.9933 11.9933 k = 0.4000 0.2309 0.5307 ( 2433 PWs) bands (ev): -24.5260 -24.5260 -24.4995 -24.4995 -9.8907 -9.8907 -8.5333 -8.5333 -8.3553 -8.3553 -7.9444 -7.9444 -7.7834 -7.7834 -7.6765 -7.6765 -7.5372 -7.5372 4.5508 4.5508 4.8057 4.8057 4.9110 4.9110 8.4867 8.4867 11.1630 11.1630 11.4474 11.4474 12.0026 12.0026 k = 0.3958 0.2285 0.5443 ( 2437 PWs) bands (ev): -24.5274 -24.5274 -24.4978 -24.4978 -9.8973 -9.8973 -8.5399 -8.5399 -8.3630 -8.3630 -7.9407 -7.9407 -7.7802 -7.7802 -7.6692 -7.6692 -7.5293 -7.5293 4.5418 4.5418 4.8150 4.8150 4.9168 4.9168 8.4677 8.4677 11.1520 11.1520 11.4527 11.4527 12.0021 12.0021 k = 0.3917 0.2261 0.5579 ( 2438 PWs) bands (ev): -24.5290 -24.5290 -24.4959 -24.4959 -9.9032 -9.9032 -8.5458 -8.5458 -8.3702 -8.3702 -7.9384 -7.9384 -7.7767 -7.7767 -7.6615 -7.6615 -7.5225 -7.5225 4.5321 4.5321 4.8245 4.8245 4.9222 4.9222 8.4504 8.4504 11.1429 11.1429 11.4556 11.4556 11.9924 11.9924 k = 0.3875 0.2237 0.5715 ( 2438 PWs) bands (ev): -24.5308 -24.5308 -24.4940 -24.4940 -9.9086 -9.9086 -8.5511 -8.5511 -8.3769 -8.3769 -7.9374 -7.9374 -7.7726 -7.7726 -7.6535 -7.6535 -7.5169 -7.5169 4.5217 4.5217 4.8339 4.8339 4.9273 4.9273 8.4350 8.4350 11.1361 11.1361 11.4549 11.4549 11.9752 11.9752 k = 0.3833 0.2213 0.5852 ( 2432 PWs) bands (ev): -24.5326 -24.5326 -24.4920 -24.4920 -9.9132 -9.9132 -8.5557 -8.5557 -8.3830 -8.3830 -7.9376 -7.9376 -7.7680 -7.7680 -7.6453 -7.6453 -7.5124 -7.5124 4.5109 4.5109 4.8433 4.8433 4.9321 4.9321 8.4215 8.4215 11.1323 11.1323 11.4495 11.4495 11.9526 11.9526 k = 0.3792 0.2189 0.5988 ( 2432 PWs) bands (ev): -24.5346 -24.5346 -24.4899 -24.4899 -9.9171 -9.9171 -8.5599 -8.5599 -8.3887 -8.3887 -7.9391 -7.9391 -7.7629 -7.7629 -7.6371 -7.6371 -7.5091 -7.5091 4.4997 4.4997 4.8523 4.8523 4.9365 4.9365 8.4100 8.4100 11.1316 11.1316 11.4386 11.4386 11.9259 11.9260 k = 0.3750 0.2165 0.6124 ( 2430 PWs) bands (ev): -24.5366 -24.5366 -24.4876 -24.4876 -9.9202 -9.9202 -8.5636 -8.5636 -8.3938 -8.3938 -7.9414 -7.9414 -7.7574 -7.7574 -7.6290 -7.6290 -7.5071 -7.5071 4.4881 4.4881 4.8610 4.8610 4.9405 4.9405 8.4006 8.4006 11.1345 11.1345 11.4215 11.4215 11.8965 11.8965 k = 0.6250-0.0722 0.4082 ( 2430 PWs) bands (ev): -24.5366 -24.5366 -24.4876 -24.4876 -9.9202 -9.9202 -8.5636 -8.5636 -8.3938 -8.3938 -7.9414 -7.9414 -7.7574 -7.7574 -7.6290 -7.6290 -7.5071 -7.5071 4.4881 4.4881 4.8610 4.8610 4.9405 4.9405 8.4006 8.4006 11.1345 11.1345 11.4215 11.4215 11.8965 11.8965 k = 0.6181-0.0842 0.4082 ( 2436 PWs) bands (ev): -24.5401 -24.5401 -24.4840 -24.4840 -9.9245 -9.9245 -8.5693 -8.5693 -8.4015 -8.4015 -7.9464 -7.9464 -7.7477 -7.7477 -7.6156 -7.6156 -7.5049 -7.5049 4.4684 4.4684 4.8749 4.8749 4.9465 4.9465 8.3869 8.3869 11.1421 11.1421 11.3890 11.3890 11.8470 11.8470 k = 0.6111-0.0962 0.4082 ( 2436 PWs) bands (ev): -24.5435 -24.5435 -24.4805 -24.4805 -9.9284 -9.9284 -8.5751 -8.5751 -8.4085 -8.4085 -7.9518 -7.9518 -7.7380 -7.7380 -7.6028 -7.6028 -7.5027 -7.5027 4.4491 4.4491 4.8880 4.8880 4.9522 4.9522 8.3735 8.3735 11.1490 11.1490 11.3591 11.3591 11.8001 11.8001 k = 0.6042-0.1083 0.4082 ( 2446 PWs) bands (ev): -24.5466 -24.5466 -24.4772 -24.4772 -9.9320 -9.9320 -8.5807 -8.5807 -8.4149 -8.4149 -7.9576 -7.9576 -7.7283 -7.7283 -7.5906 -7.5906 -7.5007 -7.5007 4.4301 4.4301 4.9005 4.9005 4.9576 4.9576 8.3606 8.3606 11.1554 11.1554 11.3319 11.3319 11.7560 11.7560 k = 0.5972-0.1203 0.4082 ( 2446 PWs) bands (ev): -24.5496 -24.5496 -24.4740 -24.4740 -9.9353 -9.9353 -8.5863 -8.5863 -8.4206 -8.4206 -7.9634 -7.9634 -7.7187 -7.7187 -7.5789 -7.5789 -7.4988 -7.4988 4.4116 4.4116 4.9123 4.9123 4.9626 4.9626 8.3480 8.3480 11.1616 11.1616 11.3071 11.3071 11.7145 11.7145 k = 0.5903-0.1323 0.4082 ( 2438 PWs) bands (ev): -24.5525 -24.5525 -24.4710 -24.4710 -9.9382 -9.9382 -8.5916 -8.5916 -8.4257 -8.4257 -7.9693 -7.9693 -7.7095 -7.7095 -7.5679 -7.5679 -7.4969 -7.4969 4.3938 4.3938 4.9234 4.9234 4.9674 4.9674 8.3358 8.3358 11.1675 11.1675 11.2849 11.2849 11.6758 11.6758 k = 0.5833-0.1443 0.4082 ( 2436 PWs) bands (ev): -24.5551 -24.5551 -24.4683 -24.4683 -9.9408 -9.9408 -8.5968 -8.5968 -8.4302 -8.4302 -7.9750 -7.9750 -7.7007 -7.7007 -7.5575 -7.5575 -7.4952 -7.4952 4.3767 4.3767 4.9337 4.9337 4.9718 4.9718 8.3242 8.3242 11.1732 11.1732 11.2648 11.2648 11.6399 11.6399 k = 0.5764-0.1564 0.4082 ( 2444 PWs) bands (ev): -24.5575 -24.5575 -24.4658 -24.4658 -9.9432 -9.9432 -8.6018 -8.6018 -8.4343 -8.4343 -7.9807 -7.9807 -7.6924 -7.6924 -7.5478 -7.5478 -7.4936 -7.4936 4.3605 4.3605 4.9432 4.9432 4.9758 4.9758 8.3131 8.3131 11.1787 11.1787 11.2470 11.2470 11.6068 11.6068 k = 0.5694-0.1684 0.4082 ( 2444 PWs) bands (ev): -24.5598 -24.5598 -24.4634 -24.4634 -9.9453 -9.9453 -8.6064 -8.6064 -8.4378 -8.4378 -7.9861 -7.9861 -7.6847 -7.6847 -7.5389 -7.5389 -7.4922 -7.4922 4.3453 4.3453 4.9520 4.9520 4.9796 4.9796 8.3027 8.3027 11.1841 11.1841 11.2312 11.2312 11.5765 11.5765 k = 0.5625-0.1804 0.4082 ( 2440 PWs) bands (ev): -24.5618 -24.5618 -24.4613 -24.4613 -9.9472 -9.9472 -8.6108 -8.6108 -8.4408 -8.4408 -7.9911 -7.9911 -7.6775 -7.6775 -7.5306 -7.5306 -7.4908 -7.4908 4.3312 4.3312 4.9599 4.9599 4.9831 4.9831 8.2929 8.2929 11.1894 11.1894 11.2174 11.2174 11.5490 11.5490 k = 0.5556-0.1925 0.4082 ( 2434 PWs) bands (ev): -24.5636 -24.5636 -24.4593 -24.4593 -9.9488 -9.9488 -8.6147 -8.6147 -8.4434 -8.4434 -7.9958 -7.9958 -7.6710 -7.6710 -7.5232 -7.5232 -7.4896 -7.4896 4.3183 4.3183 4.9670 4.9670 4.9862 4.9862 8.2839 8.2839 11.1943 11.1943 11.2055 11.2055 11.5244 11.5244 k = 0.5486-0.2045 0.4082 ( 2438 PWs) bands (ev): -24.5653 -24.5653 -24.4576 -24.4576 -9.9502 -9.9502 -8.6183 -8.6183 -8.4457 -8.4457 -8.0001 -8.0001 -7.6652 -7.6652 -7.5166 -7.5166 -7.4885 -7.4885 4.3067 4.3067 4.9732 4.9732 4.9891 4.9891 8.2758 8.2758 11.1947 11.1947 11.1994 11.1994 11.5026 11.5026 k = 0.5417-0.2165 0.4082 ( 2448 PWs) bands (ev): -24.5667 -24.5667 -24.4562 -24.4562 -9.9513 -9.9513 -8.6215 -8.6215 -8.4475 -8.4475 -8.0039 -8.0039 -7.6601 -7.6601 -7.5109 -7.5109 -7.4876 -7.4876 4.2965 4.2965 4.9784 4.9784 4.9917 4.9917 8.2685 8.2685 11.1863 11.1863 11.2035 11.2035 11.4837 11.4837 k = 0.5347-0.2285 0.4082 ( 2452 PWs) bands (ev): -24.5679 -24.5679 -24.4549 -24.4549 -9.9523 -9.9523 -8.6242 -8.6242 -8.4491 -8.4491 -8.0072 -8.0072 -7.6558 -7.6558 -7.5059 -7.5059 -7.4868 -7.4868 4.2877 4.2877 4.9828 4.9828 4.9941 4.9941 8.2623 8.2623 11.1791 11.1791 11.2072 11.2072 11.4677 11.4677 k = 0.5278-0.2406 0.4082 ( 2454 PWs) bands (ev): -24.5689 -24.5689 -24.4539 -24.4539 -9.9531 -9.9531 -8.6265 -8.6265 -8.4503 -8.4503 -8.0100 -8.0100 -7.6522 -7.6522 -7.5019 -7.5019 -7.4862 -7.4862 4.2804 4.2804 4.9861 4.9861 4.9963 4.9963 8.2571 8.2571 11.1733 11.1733 11.2104 11.2104 11.4546 11.4546 k = 0.5208-0.2526 0.4082 ( 2452 PWs) bands (ev): -24.5697 -24.5697 -24.4531 -24.4531 -9.9537 -9.9537 -8.6283 -8.6283 -8.4512 -8.4512 -8.0122 -8.0122 -7.6493 -7.6493 -7.4987 -7.4987 -7.4857 -7.4857 4.2747 4.2747 4.9886 4.9886 4.9981 4.9981 8.2530 8.2530 11.1689 11.1689 11.2130 11.2130 11.4444 11.4444 k = 0.5139-0.2646 0.4082 ( 2450 PWs) bands (ev): -24.5702 -24.5702 -24.4525 -24.4525 -9.9541 -9.9541 -8.6295 -8.6295 -8.4518 -8.4518 -8.0137 -8.0137 -7.6473 -7.6473 -7.4964 -7.4964 -7.4853 -7.4853 4.2706 4.2706 4.9903 4.9903 4.9995 4.9995 8.2500 8.2500 11.1658 11.1658 11.2149 11.2149 11.4371 11.4371 k = 0.5069-0.2766 0.4082 ( 2450 PWs) bands (ev): -24.5706 -24.5706 -24.4522 -24.4522 -9.9544 -9.9544 -8.6303 -8.6303 -8.4522 -8.4522 -8.0147 -8.0147 -7.6461 -7.6461 -7.4950 -7.4950 -7.4851 -7.4851 4.2681 4.2681 4.9913 4.9913 5.0004 5.0004 8.2482 8.2482 11.1640 11.1640 11.2161 11.2161 11.4327 11.4327 k = 0.5000-0.2887 0.4082 ( 2450 PWs) bands (ev): -24.5707 -24.5707 -24.4521 -24.4521 -9.9545 -9.9545 -8.6306 -8.6306 -8.4523 -8.4523 -8.0150 -8.0150 -7.6457 -7.6457 -7.4946 -7.4946 -7.4850 -7.4850 4.2673 4.2673 4.9916 4.9916 5.0007 5.0007 8.2476 8.2476 11.1634 11.1634 11.2165 11.2165 11.4313 11.4313 Writing output data file K2O.save init_run : 0.18s CPU 0.32s WALL ( 1 calls) electrons : 81.41s CPU 82.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 81.41s CPU 82.98s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 328 calls) cegterg : 75.25s CPU 76.52s WALL ( 517 calls) Called by sum_band: Called by *egterg: h_psi : 44.64s CPU 45.63s WALL ( 8392 calls) s_psi : 1.61s CPU 1.50s WALL ( 8392 calls) g_psi : 0.10s CPU 0.09s WALL ( 7547 calls) cdiaghg : 28.30s CPU 28.87s WALL ( 7875 calls) cegterg:over : 1.99s CPU 2.01s WALL ( 7547 calls) cegterg:upda : 1.46s CPU 1.48s WALL ( 7547 calls) cegterg:last : 0.94s CPU 0.95s WALL ( 1449 calls) cdiaghg:chol : 1.43s CPU 1.47s WALL ( 7875 calls) cdiaghg:inve : 0.72s CPU 0.74s WALL ( 7875 calls) cdiaghg:para : 1.64s CPU 1.69s WALL ( 15750 calls) Called by h_psi: h_psi:vloc : 40.98s CPU 42.00s WALL ( 8392 calls) h_psi:vnl : 3.60s CPU 3.58s WALL ( 8392 calls) add_vuspsi : 2.02s CPU 1.89s WALL ( 8392 calls) General routines calbec : 1.56s CPU 1.67s WALL ( 8392 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 38.50s CPU 39.42s WALL ( 524516 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.12s WALL ( 656 calls) Parallel routines fft_scatter : 13.46s CPU 13.86s WALL ( 524539 calls) PWSCF : 1m29.94s CPU 1m40.99s WALL This run was terminated on: 20: 6:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=