Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 16:38:16 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: ./MgZnAg2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per 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 54 33 9 1611 764 117 Max 55 34 10 1616 779 121 Sum 1969 1213 349 58071 27725 4285 bravais-lattice index = 14 lattice parameter (alat) = 8.6209 a.u. unit-cell volume = 453.0424 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.620873 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 Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Mg 10.00 24.30500 Mg( 1.00) Zn 12.00 65.40900 Zn( 1.00) Ag 11.00 107.86820 Ag( 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 0.1938776), 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 0.0649038 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 0.0288462), 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 0.0813954), 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 0.2441861), 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: 58071 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 27725 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 190, 52) NL pseudopotentials 0.17 Mb ( 95, 116) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1614) G-vector shells 0.00 Mb ( 429) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 190, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.18 Mb ( 116, 2, 52) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./MgZnAg2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.2 secs Computing kpt #: 14 total cpu time spent up to now is 8.7 secs Computing kpt #: 15 total cpu time spent up to now is 9.2 secs Computing kpt #: 16 total cpu time spent up to now is 9.6 secs Computing kpt #: 17 total cpu time spent up to now is 10.1 secs Computing kpt #: 18 total cpu time spent up to now is 10.6 secs Computing kpt #: 19 total cpu time spent up to now is 11.1 secs Computing kpt #: 20 total cpu time spent up to now is 11.6 secs Computing kpt #: 21 total cpu time spent up to now is 12.2 secs Computing kpt #: 22 total cpu time spent up to now is 12.7 secs Computing kpt #: 23 total cpu time spent up to now is 13.1 secs Computing kpt #: 24 total cpu time spent up to now is 13.6 secs Computing kpt #: 25 total cpu time spent up to now is 14.1 secs Computing kpt #: 26 total cpu time spent up to now is 14.6 secs Computing kpt #: 27 total cpu time spent up to now is 15.1 secs Computing kpt #: 28 total cpu time spent up to now is 15.7 secs Computing kpt #: 29 total cpu time spent up to now is 16.2 secs Computing kpt #: 30 total cpu time spent up to now is 16.7 secs Computing kpt #: 31 total cpu time spent up to now is 17.2 secs Computing kpt #: 32 total cpu time spent up to now is 17.7 secs Computing kpt #: 33 total cpu time spent up to now is 18.2 secs Computing kpt #: 34 total cpu time spent up to now is 18.6 secs Computing kpt #: 35 total cpu time spent up to now is 19.1 secs Computing kpt #: 36 total cpu time spent up to now is 19.6 secs Computing kpt #: 37 total cpu time spent up to now is 20.0 secs Computing kpt #: 38 total cpu time spent up to now is 20.5 secs Computing kpt #: 39 total cpu time spent up to now is 21.0 secs Computing kpt #: 40 total cpu time spent up to now is 21.5 secs Computing kpt #: 41 total cpu time spent up to now is 22.0 secs Computing kpt #: 42 total cpu time spent up to now is 22.5 secs Computing kpt #: 43 total cpu time spent up to now is 23.1 secs Computing kpt #: 44 total cpu time spent up to now is 23.6 secs Computing kpt #: 45 total cpu time spent up to now is 24.3 secs Computing kpt #: 46 total cpu time spent up to now is 25.2 secs Computing kpt #: 47 total cpu time spent up to now is 26.0 secs Computing kpt #: 48 total cpu time spent up to now is 26.6 secs Computing kpt #: 49 total cpu time spent up to now is 27.2 secs Computing kpt #: 50 total cpu time spent up to now is 27.8 secs Computing kpt #: 51 total cpu time spent up to now is 28.3 secs Computing kpt #: 52 total cpu time spent up to now is 28.8 secs Computing kpt #: 53 total cpu time spent up to now is 29.4 secs Computing kpt #: 54 total cpu time spent up to now is 29.9 secs Computing kpt #: 55 total cpu time spent up to now is 30.3 secs Computing kpt #: 56 total cpu time spent up to now is 30.8 secs Computing kpt #: 57 total cpu time spent up to now is 31.3 secs Computing kpt #: 58 total cpu time spent up to now is 31.7 secs Computing kpt #: 59 total cpu time spent up to now is 32.2 secs Computing kpt #: 60 total cpu time spent up to now is 32.6 secs Computing kpt #: 61 total cpu time spent up to now is 33.0 secs Computing kpt #: 62 total cpu time spent up to now is 33.4 secs Computing kpt #: 63 total cpu time spent up to now is 33.8 secs Computing kpt #: 64 total cpu time spent up to now is 34.2 secs Computing kpt #: 65 total cpu time spent up to now is 34.6 secs Computing kpt #: 66 total cpu time spent up to now is 34.9 secs Computing kpt #: 67 total cpu time spent up to now is 35.4 secs Computing kpt #: 68 total cpu time spent up to now is 35.8 secs Computing kpt #: 69 total cpu time spent up to now is 36.1 secs Computing kpt #: 70 total cpu time spent up to now is 36.5 secs Computing kpt #: 71 total cpu time spent up to now is 36.9 secs Computing kpt #: 72 total cpu time spent up to now is 37.4 secs Computing kpt #: 73 total cpu time spent up to now is 37.8 secs Computing kpt #: 74 total cpu time spent up to now is 38.2 secs Computing kpt #: 75 total cpu time spent up to now is 38.6 secs Computing kpt #: 76 total cpu time spent up to now is 39.1 secs Computing kpt #: 77 total cpu time spent up to now is 39.5 secs Computing kpt #: 78 total cpu time spent up to now is 39.9 secs Computing kpt #: 79 total cpu time spent up to now is 40.3 secs Computing kpt #: 80 total cpu time spent up to now is 40.7 secs Computing kpt #: 81 total cpu time spent up to now is 41.2 secs Computing kpt #: 82 total cpu time spent up to now is 41.6 secs Computing kpt #: 83 total cpu time spent up to now is 42.0 secs Computing kpt #: 84 total cpu time spent up to now is 42.4 secs Computing kpt #: 85 total cpu time spent up to now is 42.8 secs Computing kpt #: 86 total cpu time spent up to now is 43.2 secs Computing kpt #: 87 total cpu time spent up to now is 43.6 secs Computing kpt #: 88 total cpu time spent up to now is 44.0 secs Computing kpt #: 89 total cpu time spent up to now is 44.4 secs Computing kpt #: 90 total cpu time spent up to now is 44.8 secs Computing kpt #: 91 total cpu time spent up to now is 45.2 secs Computing kpt #: 92 total cpu time spent up to now is 45.6 secs Computing kpt #: 93 total cpu time spent up to now is 46.1 secs Computing kpt #: 94 total cpu time spent up to now is 46.6 secs Computing kpt #: 95 total cpu time spent up to now is 47.1 secs Computing kpt #: 96 total cpu time spent up to now is 47.6 secs Computing kpt #: 97 total cpu time spent up to now is 48.2 secs Computing kpt #: 98 total cpu time spent up to now is 48.7 secs Computing kpt #: 99 total cpu time spent up to now is 49.1 secs Computing kpt #: 100 total cpu time spent up to now is 49.6 secs Computing kpt #: 101 total cpu time spent up to now is 50.1 secs Computing kpt #: 102 total cpu time spent up to now is 50.6 secs Computing kpt #: 103 total cpu time spent up to now is 51.1 secs Computing kpt #: 104 total cpu time spent up to now is 51.6 secs Computing kpt #: 105 total cpu time spent up to now is 52.1 secs Computing kpt #: 106 total cpu time spent up to now is 52.5 secs Computing kpt #: 107 total cpu time spent up to now is 53.0 secs Computing kpt #: 108 total cpu time spent up to now is 53.4 secs Computing kpt #: 109 total cpu time spent up to now is 53.8 secs Computing kpt #: 110 total cpu time spent up to now is 54.3 secs Computing kpt #: 111 total cpu time spent up to now is 54.7 secs Computing kpt #: 112 total cpu time spent up to now is 55.1 secs Computing kpt #: 113 total cpu time spent up to now is 55.5 secs Computing kpt #: 114 total cpu time spent up to now is 55.9 secs Computing kpt #: 115 total cpu time spent up to now is 56.3 secs Computing kpt #: 116 total cpu time spent up to now is 56.7 secs Computing kpt #: 117 total cpu time spent up to now is 57.1 secs Computing kpt #: 118 total cpu time spent up to now is 57.5 secs Computing kpt #: 119 total cpu time spent up to now is 57.9 secs Computing kpt #: 120 total cpu time spent up to now is 58.3 secs Computing kpt #: 121 total cpu time spent up to now is 58.7 secs Computing kpt #: 122 total cpu time spent up to now is 59.1 secs Computing kpt #: 123 total cpu time spent up to now is 59.5 secs Computing kpt #: 124 total cpu time spent up to now is 59.9 secs Computing kpt #: 125 total cpu time spent up to now is 60.3 secs Computing kpt #: 126 total cpu time spent up to now is 60.7 secs Computing kpt #: 127 total cpu time spent up to now is 61.1 secs Computing kpt #: 128 total cpu time spent up to now is 61.5 secs Computing kpt #: 129 total cpu time spent up to now is 61.9 secs Computing kpt #: 130 total cpu time spent up to now is 62.3 secs Computing kpt #: 131 total cpu time spent up to now is 62.7 secs Computing kpt #: 132 total cpu time spent up to now is 63.1 secs Computing kpt #: 133 total cpu time spent up to now is 63.6 secs Computing kpt #: 134 total cpu time spent up to now is 64.1 secs Computing kpt #: 135 total cpu time spent up to now is 64.5 secs Computing kpt #: 136 total cpu time spent up to now is 65.0 secs Computing kpt #: 137 total cpu time spent up to now is 65.4 secs Computing kpt #: 138 total cpu time spent up to now is 65.9 secs Computing kpt #: 139 total cpu time spent up to now is 66.3 secs Computing kpt #: 140 total cpu time spent up to now is 66.8 secs Computing kpt #: 141 total cpu time spent up to now is 67.2 secs Computing kpt #: 142 total cpu time spent up to now is 67.6 secs Computing kpt #: 143 total cpu time spent up to now is 68.1 secs Computing kpt #: 144 total cpu time spent up to now is 68.5 secs Computing kpt #: 145 total cpu time spent up to now is 68.9 secs Computing kpt #: 146 total cpu time spent up to now is 69.4 secs Computing kpt #: 147 total cpu time spent up to now is 69.9 secs Computing kpt #: 148 total cpu time spent up to now is 70.3 secs Computing kpt #: 149 total cpu time spent up to now is 70.7 secs Computing kpt #: 150 total cpu time spent up to now is 71.2 secs Computing kpt #: 151 total cpu time spent up to now is 71.6 secs Computing kpt #: 152 total cpu time spent up to now is 72.1 secs Computing kpt #: 153 total cpu time spent up to now is 72.5 secs Computing kpt #: 154 total cpu time spent up to now is 73.0 secs Computing kpt #: 155 total cpu time spent up to now is 73.4 secs Computing kpt #: 156 total cpu time spent up to now is 73.8 secs Computing kpt #: 157 total cpu time spent up to now is 74.3 secs Computing kpt #: 158 total cpu time spent up to now is 74.7 secs Computing kpt #: 159 total cpu time spent up to now is 75.1 secs Computing kpt #: 160 total cpu time spent up to now is 75.5 secs Computing kpt #: 161 total cpu time spent up to now is 76.0 secs Computing kpt #: 162 total cpu time spent up to now is 76.4 secs Computing kpt #: 163 total cpu time spent up to now is 76.8 secs Computing kpt #: 164 total cpu time spent up to now is 77.3 secs Computing kpt #: 165 total cpu time spent up to now is 77.7 secs Computing kpt #: 166 total cpu time spent up to now is 78.1 secs Computing kpt #: 167 total cpu time spent up to now is 78.5 secs Computing kpt #: 168 total cpu time spent up to now is 78.9 secs Computing kpt #: 169 total cpu time spent up to now is 79.3 secs Computing kpt #: 170 total cpu time spent up to now is 79.7 secs Computing kpt #: 171 total cpu time spent up to now is 80.1 secs Computing kpt #: 172 total cpu time spent up to now is 80.5 secs Computing kpt #: 173 total cpu time spent up to now is 80.9 secs Computing kpt #: 174 total cpu time spent up to now is 81.2 secs Computing kpt #: 175 total cpu time spent up to now is 81.6 secs Computing kpt #: 176 total cpu time spent up to now is 82.0 secs Computing kpt #: 177 total cpu time spent up to now is 82.4 secs Computing kpt #: 178 total cpu time spent up to now is 82.7 secs Computing kpt #: 179 total cpu time spent up to now is 83.1 secs Computing kpt #: 180 total cpu time spent up to now is 83.5 secs Computing kpt #: 181 total cpu time spent up to now is 83.9 secs Computing kpt #: 182 total cpu time spent up to now is 84.2 secs Computing kpt #: 183 total cpu time spent up to now is 84.6 secs Computing kpt #: 184 total cpu time spent up to now is 85.0 secs Computing kpt #: 185 total cpu time spent up to now is 85.3 secs Computing kpt #: 186 total cpu time spent up to now is 85.7 secs Computing kpt #: 187 total cpu time spent up to now is 86.1 secs Computing kpt #: 188 total cpu time spent up to now is 86.4 secs Computing kpt #: 189 total cpu time spent up to now is 86.8 secs Computing kpt #: 190 total cpu time spent up to now is 87.2 secs Computing kpt #: 191 total cpu time spent up to now is 87.5 secs Computing kpt #: 192 total cpu time spent up to now is 87.9 secs Computing kpt #: 193 total cpu time spent up to now is 88.3 secs Computing kpt #: 194 total cpu time spent up to now is 88.7 secs Computing kpt #: 195 total cpu time spent up to now is 89.1 secs Computing kpt #: 196 total cpu time spent up to now is 89.4 secs Computing kpt #: 197 total cpu time spent up to now is 89.8 secs Computing kpt #: 198 total cpu time spent up to now is 90.2 secs Computing kpt #: 199 total cpu time spent up to now is 90.6 secs Computing kpt #: 200 total cpu time spent up to now is 91.0 secs Computing kpt #: 201 total cpu time spent up to now is 91.4 secs Computing kpt #: 202 total cpu time spent up to now is 91.8 secs Computing kpt #: 203 total cpu time spent up to now is 92.2 secs Computing kpt #: 204 total cpu time spent up to now is 92.5 secs Computing kpt #: 205 total cpu time spent up to now is 92.9 secs Computing kpt #: 206 total cpu time spent up to now is 93.3 secs Computing kpt #: 207 total cpu time spent up to now is 93.7 secs Computing kpt #: 208 total cpu time spent up to now is 94.1 secs Computing kpt #: 209 total cpu time spent up to now is 94.4 secs Computing kpt #: 210 total cpu time spent up to now is 94.8 secs Computing kpt #: 211 total cpu time spent up to now is 95.2 secs Computing kpt #: 212 total cpu time spent up to now is 95.6 secs Computing kpt #: 213 total cpu time spent up to now is 96.0 secs Computing kpt #: 214 total cpu time spent up to now is 96.4 secs Computing kpt #: 215 total cpu time spent up to now is 96.9 secs Computing kpt #: 216 total cpu time spent up to now is 97.2 secs Computing kpt #: 217 total cpu time spent up to now is 97.7 secs Computing kpt #: 218 total cpu time spent up to now is 98.1 secs Computing kpt #: 219 total cpu time spent up to now is 98.6 secs Computing kpt #: 220 total cpu time spent up to now is 99.1 secs Computing kpt #: 221 total cpu time spent up to now is 99.6 secs Computing kpt #: 222 total cpu time spent up to now is 100.1 secs Computing kpt #: 223 total cpu time spent up to now is 100.6 secs Computing kpt #: 224 total cpu time spent up to now is 101.1 secs Computing kpt #: 225 total cpu time spent up to now is 101.6 secs Computing kpt #: 226 total cpu time spent up to now is 102.1 secs Computing kpt #: 227 total cpu time spent up to now is 102.5 secs Computing kpt #: 228 total cpu time spent up to now is 103.0 secs Computing kpt #: 229 total cpu time spent up to now is 103.4 secs Computing kpt #: 230 total cpu time spent up to now is 103.8 secs Computing kpt #: 231 total cpu time spent up to now is 104.2 secs Computing kpt #: 232 total cpu time spent up to now is 104.6 secs Computing kpt #: 233 total cpu time spent up to now is 105.0 secs Computing kpt #: 234 total cpu time spent up to now is 105.4 secs Computing kpt #: 235 total cpu time spent up to now is 105.8 secs Computing kpt #: 236 total cpu time spent up to now is 106.2 secs Computing kpt #: 237 total cpu time spent up to now is 106.7 secs Computing kpt #: 238 total cpu time spent up to now is 107.1 secs Computing kpt #: 239 total cpu time spent up to now is 107.5 secs Computing kpt #: 240 total cpu time spent up to now is 107.9 secs Computing kpt #: 241 total cpu time spent up to now is 108.3 secs Computing kpt #: 242 total cpu time spent up to now is 108.8 secs Computing kpt #: 243 total cpu time spent up to now is 109.2 secs Computing kpt #: 244 total cpu time spent up to now is 109.7 secs Computing kpt #: 245 total cpu time spent up to now is 110.1 secs Computing kpt #: 246 total cpu time spent up to now is 110.5 secs Computing kpt #: 247 total cpu time spent up to now is 110.9 secs Computing kpt #: 248 total cpu time spent up to now is 111.4 secs Computing kpt #: 249 total cpu time spent up to now is 111.8 secs Computing kpt #: 250 total cpu time spent up to now is 112.2 secs Computing kpt #: 251 total cpu time spent up to now is 112.7 secs Computing kpt #: 252 total cpu time spent up to now is 113.1 secs Computing kpt #: 253 total cpu time spent up to now is 113.5 secs Computing kpt #: 254 total cpu time spent up to now is 113.9 secs Computing kpt #: 255 total cpu time spent up to now is 114.3 secs Computing kpt #: 256 total cpu time spent up to now is 114.8 secs Computing kpt #: 257 total cpu time spent up to now is 115.2 secs Computing kpt #: 258 total cpu time spent up to now is 115.7 secs Computing kpt #: 259 total cpu time spent up to now is 116.2 secs Computing kpt #: 260 total cpu time spent up to now is 116.7 secs Computing kpt #: 261 total cpu time spent up to now is 117.1 secs Computing kpt #: 262 total cpu time spent up to now is 117.5 secs Computing kpt #: 263 total cpu time spent up to now is 117.9 secs Computing kpt #: 264 total cpu time spent up to now is 118.3 secs Computing kpt #: 265 total cpu time spent up to now is 118.7 secs Computing kpt #: 266 total cpu time spent up to now is 119.1 secs Computing kpt #: 267 total cpu time spent up to now is 119.5 secs Computing kpt #: 268 total cpu time spent up to now is 119.9 secs Computing kpt #: 269 total cpu time spent up to now is 120.3 secs Computing kpt #: 270 total cpu time spent up to now is 120.7 secs Computing kpt #: 271 total cpu time spent up to now is 121.1 secs Computing kpt #: 272 total cpu time spent up to now is 121.5 secs Computing kpt #: 273 total cpu time spent up to now is 121.8 secs Computing kpt #: 274 total cpu time spent up to now is 122.2 secs Computing kpt #: 275 total cpu time spent up to now is 122.6 secs Computing kpt #: 276 total cpu time spent up to now is 123.0 secs Computing kpt #: 277 total cpu time spent up to now is 123.4 secs Computing kpt #: 278 total cpu time spent up to now is 123.8 secs Computing kpt #: 279 total cpu time spent up to now is 124.2 secs Computing kpt #: 280 total cpu time spent up to now is 124.6 secs Computing kpt #: 281 total cpu time spent up to now is 125.0 secs Computing kpt #: 282 total cpu time spent up to now is 125.4 secs Computing kpt #: 283 total cpu time spent up to now is 125.7 secs Computing kpt #: 284 total cpu time spent up to now is 126.1 secs Computing kpt #: 285 total cpu time spent up to now is 126.5 secs Computing kpt #: 286 total cpu time spent up to now is 126.9 secs Computing kpt #: 287 total cpu time spent up to now is 127.3 secs Computing kpt #: 288 total cpu time spent up to now is 127.7 secs Computing kpt #: 289 total cpu time spent up to now is 128.1 secs Computing kpt #: 290 total cpu time spent up to now is 128.5 secs Computing kpt #: 291 total cpu time spent up to now is 128.8 secs Computing kpt #: 292 total cpu time spent up to now is 129.2 secs Computing kpt #: 293 total cpu time spent up to now is 129.6 secs Computing kpt #: 294 total cpu time spent up to now is 130.0 secs Computing kpt #: 295 total cpu time spent up to now is 130.3 secs Computing kpt #: 296 total cpu time spent up to now is 130.7 secs Computing kpt #: 297 total cpu time spent up to now is 131.1 secs Computing kpt #: 298 total cpu time spent up to now is 131.5 secs Computing kpt #: 299 total cpu time spent up to now is 132.0 secs Computing kpt #: 300 total cpu time spent up to now is 132.4 secs Computing kpt #: 301 total cpu time spent up to now is 132.8 secs Computing kpt #: 302 total cpu time spent up to now is 133.2 secs Computing kpt #: 303 total cpu time spent up to now is 133.6 secs Computing kpt #: 304 total cpu time spent up to now is 134.1 secs Computing kpt #: 305 total cpu time spent up to now is 134.6 secs Computing kpt #: 306 total cpu time spent up to now is 135.0 secs Computing kpt #: 307 total cpu time spent up to now is 135.5 secs Computing kpt #: 308 total cpu time spent up to now is 136.1 secs Computing kpt #: 309 total cpu time spent up to now is 136.6 secs Computing kpt #: 310 total cpu time spent up to now is 137.1 secs Computing kpt #: 311 total cpu time spent up to now is 137.6 secs Computing kpt #: 312 total cpu time spent up to now is 138.2 secs Computing kpt #: 313 total cpu time spent up to now is 138.7 secs Computing kpt #: 314 total cpu time spent up to now is 139.2 secs Computing kpt #: 315 total cpu time spent up to now is 139.7 secs Computing kpt #: 316 total cpu time spent up to now is 140.3 secs Computing kpt #: 317 total cpu time spent up to now is 140.7 secs Computing kpt #: 318 total cpu time spent up to now is 141.2 secs Computing kpt #: 319 total cpu time spent up to now is 141.7 secs Computing kpt #: 320 total cpu time spent up to now is 142.1 secs Computing kpt #: 321 total cpu time spent up to now is 142.6 secs Computing kpt #: 322 total cpu time spent up to now is 143.1 secs Computing kpt #: 323 total cpu time spent up to now is 143.6 secs Computing kpt #: 324 total cpu time spent up to now is 144.1 secs Computing kpt #: 325 total cpu time spent up to now is 144.6 secs Computing kpt #: 326 total cpu time spent up to now is 145.1 secs Computing kpt #: 327 total cpu time spent up to now is 145.6 secs Computing kpt #: 328 total cpu time spent up to now is 146.1 secs ethr = 2.27E-08, avg # of iterations = 20.0 total cpu time spent up to now is 146.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5389 2.5389 3.7212 3.7212 3.7212 3.7212 4.0093 4.0093 4.0093 4.0093 4.0747 4.0747 5.0923 5.0923 5.0923 5.0923 5.3815 5.3815 5.5746 5.5746 5.5746 5.5746 6.6511 6.6511 6.6511 6.6511 6.9492 6.9492 7.1958 7.1958 7.1958 7.1958 14.0240 14.0240 14.3089 14.3089 14.4424 14.4424 14.4424 14.4424 15.7205 15.7205 15.7937 15.7937 k = 0.0102-0.0059 0.0083 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5406 2.5406 3.7212 3.7212 3.7213 3.7213 4.0093 4.0093 4.0094 4.0094 4.0746 4.0746 5.0923 5.0923 5.0932 5.0932 5.3819 5.3819 5.5745 5.5745 5.5751 5.5751 6.6505 6.6505 6.6509 6.6509 6.9487 6.9487 7.1944 7.1944 7.1958 7.1958 14.0132 14.0132 14.3032 14.3032 14.4242 14.4242 14.4306 14.4306 15.7334 15.7334 15.8051 15.8051 k = 0.0204-0.0118 0.0167 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5454 2.5454 3.7212 3.7212 3.7214 3.7214 4.0093 4.0093 4.0097 4.0097 4.0743 4.0743 5.0922 5.0922 5.0960 5.0960 5.3832 5.3832 5.5743 5.5743 5.5766 5.5766 6.6488 6.6488 6.6502 6.6502 6.9473 6.9473 7.1900 7.1900 7.1957 7.1957 13.9811 13.9811 14.2864 14.2864 14.3724 14.3724 14.3970 14.3970 15.7641 15.7641 15.8435 15.8435 k = 0.0306-0.0177 0.0250 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5535 2.5535 3.7212 3.7212 3.7217 3.7217 4.0093 4.0093 4.0101 4.0101 4.0738 4.0738 5.0920 5.0920 5.1005 5.1005 5.3853 5.3853 5.5739 5.5739 5.5791 5.5791 6.6459 6.6459 6.6490 6.6490 6.9449 6.9449 7.1827 7.1827 7.1955 7.1955 13.9293 13.9293 14.2594 14.2594 14.2940 14.2940 14.3463 14.3463 15.7988 15.7988 15.9135 15.9135 k = 0.0408-0.0236 0.0333 ( 3487 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5648 2.5648 3.7211 3.7211 3.7220 3.7220 4.0093 4.0093 4.0108 4.0108 4.0731 4.0731 5.0917 5.0917 5.1068 5.1068 5.3885 5.3885 5.5733 5.5733 5.5825 5.5825 6.6419 6.6419 6.6473 6.6473 6.9416 6.9416 7.1727 7.1727 7.1953 7.1953 13.8598 13.8598 14.1962 14.1962 14.2233 14.2233 14.2836 14.2836 15.8322 15.8322 16.0075 16.0075 k = 0.0510-0.0295 0.0417 ( 3487 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5793 2.5793 3.7211 3.7211 3.7225 3.7225 4.0092 4.0092 4.0116 4.0116 4.0722 4.0722 5.0911 5.0911 5.1150 5.1150 5.3928 5.3928 5.5726 5.5726 5.5868 5.5868 6.6368 6.6368 6.6452 6.6452 6.9375 6.9375 7.1598 7.1598 7.1950 7.1950 13.7753 13.7753 14.0856 14.0856 14.1791 14.1791 14.2134 14.2134 15.8596 15.8596 16.1158 16.1158 k = 0.0612-0.0353 0.0500 ( 3483 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5970 2.5970 3.7211 3.7211 3.7231 3.7231 4.0092 4.0092 4.0126 4.0126 4.0711 4.0711 5.0901 5.0901 5.1250 5.1250 5.3985 5.3985 5.5716 5.5716 5.5921 5.5921 6.6305 6.6305 6.6425 6.6425 6.9325 6.9325 7.1446 7.1446 7.1947 7.1947 13.6788 13.6788 13.9661 13.9661 14.1281 14.1281 14.1386 14.1386 15.8698 15.8698 16.2311 16.2311 k = 0.0714-0.0412 0.0583 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.6178 2.6178 3.7210 3.7210 3.7237 3.7237 4.0091 4.0091 4.0137 4.0137 4.0699 4.0699 5.0887 5.0887 5.1366 5.1366 5.4056 5.4056 5.5705 5.5705 5.5982 5.5982 6.6233 6.6233 6.6393 6.6393 6.9267 6.9267 7.1266 7.1266 7.1943 7.1943 13.5730 13.5730 13.8411 13.8411 14.0615 14.0615 14.0712 14.0712 15.8461 15.8461 16.3472 16.3472 k = 0.0816-0.0471 0.0667 ( 3483 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.6419 2.6419 3.7209 3.7209 3.7244 3.7244 4.0090 4.0090 4.0151 4.0151 4.0685 4.0685 5.0867 5.0867 5.1499 5.1499 5.4142 5.4142 5.5693 5.5693 5.6050 5.6050 6.6152 6.6152 6.6355 6.6355 6.9202 6.9202 7.1061 7.1061 7.1938 7.1938 13.4602 13.4602 13.7123 13.7123 13.9833 13.9833 14.0090 14.0090 15.7770 15.7770 16.4552 16.4552 k = 0.0918-0.0530 0.0750 ( 3483 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.6690 2.6690 3.7208 3.7208 3.7251 3.7251 4.0088 4.0088 4.0167 4.0167 4.0669 4.0669 5.0841 5.0841 5.1649 5.1649 5.4245 5.4245 5.5680 5.5680 5.6127 5.6127 6.6061 6.6061 6.6311 6.6311 6.9129 6.9129 7.0836 7.0836 7.1933 7.1933 13.3423 13.3423 13.5814 13.5814 13.9050 13.9050 13.9418 13.9418 15.6674 15.6674 16.5382 16.5382 k = 0.1020-0.0589 0.0833 ( 3491 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.6993 2.6993 3.7206 3.7206 3.7259 3.7259 4.0086 4.0086 4.0185 4.0185 4.0652 4.0652 5.0807 5.0807 5.1813 5.1813 5.4365 5.4365 5.5664 5.5664 5.6210 5.6210 6.5962 6.5962 6.6261 6.6261 6.9049 6.9049 7.0591 7.0591 7.1928 7.1928 13.2208 13.2208 13.4492 13.4492 13.8273 13.8273 13.8695 13.8695 15.5312 15.5312 16.6147 16.6147 k = 0.1122-0.0648 0.0916 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.7326 2.7326 3.7204 3.7204 3.7267 3.7267 4.0082 4.0082 4.0205 4.0205 4.0633 4.0633 5.0768 5.0768 5.1995 5.1995 5.4505 5.4505 5.5648 5.5648 5.6303 5.6303 6.5855 6.5855 6.6204 6.6204 6.8961 6.8961 7.0330 7.0330 7.1923 7.1923 13.0970 13.0970 13.3165 13.3165 13.7508 13.7508 13.7917 13.7917 15.3806 15.3806 16.7037 16.7037 k = 0.1224-0.0707 0.1000 ( 3487 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.7690 2.7690 3.7201 3.7201 3.7275 3.7275 4.0079 4.0079 4.0226 4.0226 4.0614 4.0614 5.0722 5.0722 5.2192 5.2192 5.4664 5.4664 5.5630 5.5630 5.6400 5.6400 6.5740 6.5740 6.6139 6.6139 6.8863 6.8863 7.0058 7.0058 7.1917 7.1917 12.9718 12.9718 13.1838 13.1838 13.6759 13.6759 13.7079 13.7079 15.2239 15.2239 16.8035 16.8035 k = 0.1327-0.0766 0.1083 ( 3483 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2928 -31.2928 -31.2928 -31.2928 2.8083 2.8083 3.7198 3.7198 3.7283 3.7283 4.0074 4.0074 4.0250 4.0250 4.0594 4.0594 5.0669 5.0669 5.2403 5.2403 5.4841 5.4841 5.5610 5.5610 5.6503 5.6503 6.5620 6.5620 6.6068 6.6068 6.8752 6.8752 6.9780 6.9780 7.1910 7.1910 12.8457 12.8457 13.0515 13.0515 13.6029 13.6029 13.6171 13.6171 15.0666 15.0666 16.9107 16.9107 k = 0.1429-0.0825 0.1166 ( 3491 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.8506 2.8506 3.7194 3.7194 3.7290 3.7290 4.0068 4.0068 4.0275 4.0275 4.0572 4.0572 5.0610 5.0610 5.2627 5.2627 5.5036 5.5036 5.5590 5.5590 5.6612 5.6612 6.5494 6.5494 6.5989 6.5989 6.8622 6.8622 6.9506 6.9506 7.1903 7.1903 12.7194 12.7194 12.9199 12.9199 13.5182 13.5182 13.5320 13.5320 14.9130 14.9130 17.0191 17.0191 k = 0.1531-0.0884 0.1250 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 2.8958 2.8958 3.7190 3.7190 3.7297 3.7297 4.0062 4.0062 4.0302 4.0302 4.0552 4.0552 5.0547 5.0547 5.2866 5.2866 5.5251 5.5251 5.5569 5.5569 5.6726 5.6726 6.5363 6.5363 6.5902 6.5902 6.8460 6.8460 6.9252 6.9252 7.1897 7.1897 12.5934 12.5934 12.7893 12.7893 13.4101 13.4101 13.4635 13.4635 14.7662 14.7662 17.1167 17.1167 k = 0.1633-0.0943 0.1333 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 2.9438 2.9438 3.7185 3.7185 3.7304 3.7304 4.0054 4.0054 4.0329 4.0329 4.0531 4.0531 5.0479 5.0479 5.3117 5.3117 5.5482 5.5482 5.5546 5.5546 5.6846 5.6846 6.5228 6.5228 6.5807 6.5807 6.8252 6.8252 6.9035 6.9035 7.1890 7.1890 12.4678 12.4678 12.6598 12.6598 13.2916 13.2916 13.3975 13.3975 14.6286 14.6286 17.2040 17.2040 k = 0.1735-0.1002 0.1416 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.9946 2.9946 3.7179 3.7179 3.7309 3.7309 4.0045 4.0045 4.0356 4.0356 4.0513 4.0513 5.0407 5.0407 5.3379 5.3379 5.5522 5.5522 5.5730 5.5730 5.6970 5.6970 6.5091 6.5091 6.5703 6.5703 6.7994 6.7994 6.8861 6.8861 7.1882 7.1882 12.3431 12.3431 12.5316 12.5316 13.1624 13.1624 13.3340 13.3340 14.5019 14.5019 17.2890 17.2890 k = 0.1837-0.1060 0.1500 ( 3487 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.0480 3.0480 3.7173 3.7173 3.7313 3.7313 4.0034 4.0034 4.0378 4.0378 4.0500 4.0500 5.0333 5.0333 5.3652 5.3652 5.5498 5.5498 5.5993 5.5993 5.7099 5.7099 6.4952 6.4952 6.5591 6.5591 6.7695 6.7695 6.8726 6.8726 7.1873 7.1873 12.2195 12.2195 12.4049 12.4049 13.0222 13.0222 13.2732 13.2732 14.3870 14.3870 17.3747 17.3747 k = 0.1939-0.1119 0.1583 ( 3495 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.1041 3.1041 3.7165 3.7165 3.7317 3.7317 4.0022 4.0022 4.0388 4.0388 4.0500 4.0500 5.0257 5.0257 5.3934 5.3934 5.5473 5.5473 5.6271 5.6271 5.7232 5.7232 6.4812 6.4812 6.5469 6.5469 6.7370 6.7370 6.8615 6.8615 7.1866 7.1866 12.0972 12.0972 12.2798 12.2798 12.8719 12.8719 13.2150 13.2150 14.2837 14.2837 17.4621 17.4621 k = 0.2041-0.1178 0.1666 ( 3495 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.1626 3.1626 3.7157 3.7157 3.7319 3.7319 4.0008 4.0008 4.0382 4.0382 4.0519 4.0519 5.0180 5.0180 5.4225 5.4225 5.5448 5.5448 5.6564 5.6564 5.7369 5.7369 6.4673 6.4673 6.5339 6.5339 6.7033 6.7033 6.8521 6.8521 7.1859 7.1859 11.9763 11.9763 12.1564 12.1564 12.7124 12.7124 13.1595 13.1595 14.1916 14.1916 17.5518 17.5518 k = 0.2143-0.1237 0.1750 ( 3487 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.2236 3.2236 3.7148 3.7148 3.7319 3.7319 3.9993 3.9993 4.0365 4.0365 4.0551 4.0551 5.0104 5.0104 5.4520 5.4520 5.5425 5.5425 5.6869 5.6869 5.7511 5.7511 6.4537 6.4537 6.5200 6.5200 6.6691 6.6691 6.8440 6.8440 7.1852 7.1852 11.8571 11.8571 12.0349 12.0349 12.5452 12.5452 13.1065 13.1065 14.1096 14.1096 17.6440 17.6440 k = 0.2245-0.1296 0.1833 ( 3495 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.2868 3.2868 3.7138 3.7138 3.7319 3.7319 3.9976 3.9976 4.0342 4.0342 4.0589 4.0589 5.0027 5.0027 5.4815 5.4815 5.5409 5.5409 5.7184 5.7184 5.7657 5.7657 6.4404 6.4404 6.5051 6.5051 6.6350 6.6350 6.8368 6.8368 7.1845 7.1845 11.7396 11.7396 11.9153 11.9153 12.3719 12.3719 13.0562 13.0562 14.0364 14.0364 17.7389 17.7389 k = 0.2347-0.1355 0.1916 ( 3495 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.3522 3.3522 3.7127 3.7127 3.7316 3.7316 3.9957 3.9957 4.0318 4.0318 4.0630 4.0630 4.9953 4.9953 5.5088 5.5088 5.5420 5.5420 5.7506 5.7506 5.7810 5.7810 6.4275 6.4275 6.4890 6.4890 6.6019 6.6019 6.8302 6.8302 7.1838 7.1838 11.6241 11.6241 11.7977 11.7977 12.1938 12.1938 13.0084 13.0084 13.9710 13.9710 17.8365 17.8365 k = 0.2449-0.1414 0.2000 ( 3495 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.4195 3.4195 3.7116 3.7116 3.7312 3.7312 3.9937 3.9937 4.0293 4.0293 4.0674 4.0674 4.9880 4.9880 5.5234 5.5234 5.5559 5.5559 5.7820 5.7820 5.7983 5.7983 6.4152 6.4152 6.4716 6.4716 6.5704 6.5704 6.8243 6.8243 7.1832 7.1832 11.5106 11.5106 11.6823 11.6823 12.0124 12.0124 12.9632 12.9632 13.9123 13.9123 17.9369 17.9369 k = 0.2551-0.1473 0.2083 ( 3487 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.4886 3.4886 3.7105 3.7105 3.7307 3.7307 3.9916 3.9916 4.0267 4.0267 4.0720 4.0720 4.9809 4.9809 5.5247 5.5247 5.5835 5.5835 5.8055 5.8055 5.8246 5.8246 6.4036 6.4036 6.4527 6.4527 6.5410 6.5410 6.8189 6.8189 7.1827 7.1827 11.3993 11.3993 11.5692 11.5692 11.8289 11.8289 12.9204 12.9204 13.8593 13.8593 18.0402 18.0402 k = 0.2653-0.1532 0.2166 ( 3495 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.5590 3.5590 3.7096 3.7096 3.7299 3.7299 3.9893 3.9893 4.0241 4.0241 4.0767 4.0767 4.9740 4.9740 5.5229 5.5229 5.6139 5.6139 5.8222 5.8222 5.8583 5.8583 6.3930 6.3930 6.4321 6.4321 6.5141 6.5141 6.8140 6.8140 7.1821 7.1821 11.2902 11.2902 11.4583 11.4583 11.6441 11.6441 12.8799 12.8799 13.8113 13.8113 18.1463 18.1463 k = 0.2755-0.1591 0.2250 ( 3495 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6297 3.6297 3.7098 3.7098 3.7289 3.7289 3.9870 3.9870 4.0215 4.0215 4.0815 4.0815 4.9676 4.9676 5.5203 5.5203 5.6447 5.6447 5.8378 5.8378 5.8939 5.8939 6.3835 6.3835 6.4101 6.4101 6.4902 6.4902 6.8094 6.8094 7.1817 7.1817 11.1837 11.1837 11.3498 11.3498 11.4591 11.4591 12.8417 12.8417 13.7676 13.7676 18.2551 18.2551 k = 0.2857-0.1650 0.2333 ( 3495 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6890 3.6890 3.7225 3.7225 3.7279 3.7279 3.9846 3.9846 4.0189 4.0189 4.0863 4.0863 4.9615 4.9615 5.5174 5.5174 5.6752 5.6752 5.8530 5.8530 5.9302 5.9302 6.3754 6.3754 6.3874 6.3874 6.4690 6.4690 6.8052 6.8052 7.1813 7.1813 11.0797 11.0797 11.2422 11.2422 11.2762 11.2762 12.8058 12.8058 13.7277 13.7277 18.3667 18.3667 k = 0.2959-0.1708 0.2416 ( 3491 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6994 3.6994 3.7266 3.7266 3.7850 3.7850 3.9821 3.9821 4.0164 4.0164 4.0912 4.0912 4.9559 4.9559 5.5145 5.5145 5.7047 5.7047 5.8680 5.8680 5.9669 5.9669 6.3647 6.3647 6.3689 6.3689 6.4501 6.4501 6.8014 6.8014 7.1811 7.1811 10.9785 10.9785 11.0877 11.0877 11.1438 11.1438 12.7721 12.7721 13.6912 13.6912 18.4810 18.4810 k = 0.3061-0.1767 0.2499 ( 3467 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6992 3.6992 3.7252 3.7252 3.8585 3.8585 3.9798 3.9798 4.0140 4.0140 4.0962 4.0962 4.9508 4.9508 5.5115 5.5115 5.7331 5.7331 5.8828 5.8828 6.0039 6.0039 6.3430 6.3430 6.3642 6.3642 6.4332 6.4332 6.7980 6.7980 7.1809 7.1809 10.8802 10.8802 10.9061 10.9061 11.0430 11.0430 12.7405 12.7405 13.6578 13.6578 18.5979 18.5979 k = 0.3163-0.1826 0.2583 ( 3467 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6979 3.6979 3.7237 3.7237 3.9327 3.9327 3.9781 3.9781 4.0116 4.0116 4.1010 4.1010 4.9461 4.9461 5.5085 5.5085 5.7593 5.7593 5.8971 5.8971 6.0407 6.0407 6.3232 6.3232 6.3616 6.3616 6.4177 6.4177 6.7947 6.7947 7.1809 7.1809 10.7257 10.7257 10.7849 10.7849 10.9460 10.9460 12.7109 12.7109 13.6271 13.6271 18.7174 18.7174 k = 0.3265-0.1885 0.2666 ( 3463 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6963 3.6963 3.7220 3.7220 3.9726 3.9726 4.0093 4.0093 4.0109 4.0109 4.1058 4.1058 4.9420 4.9420 5.5055 5.5055 5.7831 5.7831 5.9111 5.9111 6.0772 6.0772 6.3060 6.3060 6.3613 6.3613 6.4036 6.4036 6.7918 6.7918 7.1809 7.1809 10.5476 10.5476 10.6928 10.6928 10.8523 10.8523 12.6833 12.6833 13.5989 13.5989 18.8393 18.8393 k = 0.3367-0.1944 0.2749 ( 3463 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6945 3.6945 3.7202 3.7202 3.9711 3.9711 4.0071 4.0071 4.0846 4.0846 4.1105 4.1105 4.9384 4.9384 5.5025 5.5025 5.8040 5.8040 5.9244 5.9244 6.1132 6.1132 6.2919 6.2919 6.3636 6.3636 6.3909 6.3909 6.7891 6.7891 7.1811 7.1811 10.3724 10.3724 10.6041 10.6041 10.7620 10.7620 12.6575 12.6575 13.5730 13.5730 18.9636 18.9636 k = 0.3469-0.2003 0.2833 ( 3463 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6926 3.6926 3.7183 3.7183 3.9688 3.9688 4.0050 4.0050 4.1151 4.1151 4.1582 4.1582 4.9355 4.9355 5.4996 5.4996 5.8213 5.8213 5.9371 5.9371 6.1486 6.1486 6.2813 6.2813 6.3688 6.3688 6.3796 6.3796 6.7866 6.7866 7.1813 7.1813 10.2004 10.2004 10.5191 10.5191 10.6754 10.6754 12.6337 12.6337 13.5493 13.5493 19.0901 19.0901 k = 0.3571-0.2062 0.2916 ( 3455 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6906 3.6906 3.7164 3.7164 3.9664 3.9664 4.0030 4.0030 4.1196 4.1196 4.2304 4.2304 4.9332 4.9332 5.4970 5.4970 5.8348 5.8348 5.9490 5.9490 6.1830 6.1830 6.2741 6.2741 6.3701 6.3701 6.3773 6.3773 6.7845 6.7845 7.1817 7.1817 10.0322 10.0322 10.4378 10.4378 10.5927 10.5927 12.6116 12.6116 13.5276 13.5276 19.2189 19.2189 k = 0.3673-0.2121 0.2999 ( 3455 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6887 3.6887 3.7144 3.7144 3.9641 3.9641 4.0011 4.0011 4.1239 4.1239 4.3004 4.3004 4.9317 4.9317 5.4943 5.4943 5.8444 5.8444 5.9600 5.9600 6.2165 6.2165 6.2701 6.2701 6.3628 6.3628 6.3889 6.3889 6.7823 6.7823 7.1823 7.1823 9.8683 9.8683 10.3605 10.3605 10.5140 10.5140 12.5913 12.5913 13.5077 13.5077 19.3495 19.3495 k = 0.3776-0.2180 0.3083 ( 3451 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6867 3.6867 3.7124 3.7124 3.9619 3.9619 3.9993 3.9993 4.1280 4.1280 4.3676 4.3676 4.9311 4.9311 5.4918 5.4918 5.8503 5.8503 5.9702 5.9702 6.2489 6.2489 6.2682 6.2682 6.3584 6.3584 6.4039 6.4039 6.7805 6.7805 7.1830 7.1830 9.7093 9.7093 10.2875 10.2875 10.4396 10.4396 12.5727 12.5727 13.4897 13.4897 19.4821 19.4821 k = 0.3878-0.2239 0.3166 ( 3447 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6849 3.6849 3.7104 3.7104 3.9598 3.9598 3.9977 3.9977 4.1319 4.1319 4.4312 4.4312 4.9314 4.9314 5.4893 5.4893 5.8527 5.8527 5.9794 5.9794 6.2673 6.2673 6.2801 6.2801 6.3574 6.3574 6.4222 6.4222 6.7788 6.7788 7.1839 7.1839 9.5557 9.5557 10.2190 10.2190 10.3697 10.3697 12.5558 12.5558 13.4734 13.4734 19.6164 19.6164 k = 0.3980-0.2298 0.3249 ( 3447 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6830 3.6830 3.7084 3.7084 3.9579 3.9579 3.9962 3.9962 4.1355 4.1355 4.4905 4.4905 4.9329 4.9329 5.4871 5.4871 5.8525 5.8525 5.9877 5.9877 6.2661 6.2661 6.3102 6.3102 6.3602 6.3602 6.4431 6.4431 6.7773 6.7773 7.1848 7.1848 9.4084 9.4084 10.1553 10.1553 10.3046 10.3046 12.5404 12.5404 13.4587 13.4587 19.7520 19.7521 k = 0.4082-0.2357 0.3333 ( 3455 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6813 3.6813 3.7065 3.7065 3.9560 3.9560 3.9949 3.9949 4.1388 4.1388 4.5446 4.5446 4.9356 4.9356 5.4849 5.4849 5.8502 5.8502 5.9950 5.9950 6.2640 6.2640 6.3391 6.3391 6.3666 6.3666 6.4665 6.4665 6.7759 6.7759 7.1859 7.1859 9.2680 9.2680 10.0965 10.0965 10.2445 10.2445 12.5266 12.5266 13.4456 13.4456 19.8888 19.8888 k = 0.4184-0.2415 0.3416 ( 3463 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6796 3.6796 3.7047 3.7047 3.9543 3.9543 3.9936 3.9936 4.1419 4.1419 4.5929 4.5929 4.9397 4.9397 5.4830 5.4830 5.8466 5.8466 6.0015 6.0015 6.2611 6.2611 6.3666 6.3666 6.3757 6.3757 6.4917 6.4917 6.7747 6.7747 7.1872 7.1872 9.1357 9.1357 10.0430 10.0430 10.1898 10.1898 12.5144 12.5144 13.4339 13.4339 20.0262 20.0262 k = 0.4286-0.2474 0.3499 ( 3451 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6781 3.6781 3.7031 3.7031 3.9529 3.9529 3.9926 3.9926 4.1446 4.1446 4.6348 4.6348 4.9452 4.9452 5.4813 5.4813 5.8423 5.8423 6.0071 6.0071 6.2577 6.2577 6.3866 6.3866 6.3926 6.3926 6.5184 6.5184 6.7737 6.7737 7.1885 7.1885 9.0127 9.0127 9.9950 9.9950 10.1407 10.1407 12.5037 12.5037 13.4238 13.4238 20.1636 20.1636 k = 0.4388-0.2533 0.3583 ( 3443 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6768 3.6768 3.7016 3.7016 3.9517 3.9517 3.9917 3.9917 4.1471 4.1471 4.6698 4.6698 4.9521 4.9521 5.4798 5.4798 5.8378 5.8378 6.0120 6.0120 6.2542 6.2542 6.3978 6.3978 6.4161 6.4161 6.5457 6.5457 6.7728 6.7728 7.1899 7.1899 8.9003 8.9003 9.9528 9.9528 10.0975 10.0975 12.4944 12.4944 13.4151 13.4151 20.3002 20.3002 k = 0.4490-0.2592 0.3666 ( 3447 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6756 3.6756 3.7003 3.7003 3.9505 3.9505 3.9909 3.9909 4.1492 4.1492 4.6980 4.6980 4.9599 4.9599 5.4785 5.4785 5.8333 5.8333 6.0160 6.0160 6.2508 6.2508 6.4087 6.4087 6.4369 6.4369 6.5728 6.5728 6.7720 6.7720 7.1913 7.1913 8.8002 8.8002 9.9167 9.9167 10.0604 10.0604 12.4866 12.4866 13.4077 13.4077 20.4344 20.4344 k = 0.4592-0.2651 0.3749 ( 3446 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6747 3.6747 3.6993 3.6993 3.9496 3.9496 3.9902 3.9902 4.1509 4.1509 4.7196 4.7196 4.9681 4.9681 5.4774 5.4774 5.8294 5.8294 6.0193 6.0193 6.2478 6.2478 6.4184 6.4184 6.4543 6.4543 6.5983 6.5983 6.7714 6.7714 7.1926 7.1926 8.7142 8.7142 9.8867 9.8867 10.0297 10.0297 12.4803 12.4803 13.4018 13.4018 20.4723 20.4723 k = 0.4694-0.2710 0.3833 ( 3446 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6739 3.6739 3.6984 3.6984 3.9489 3.9489 3.9897 3.9897 4.1522 4.1522 4.7354 4.7354 4.9757 4.9757 5.4765 5.4765 5.8261 5.8261 6.0218 6.0218 6.2454 6.2454 6.4265 6.4265 6.4681 6.4681 6.6209 6.6209 6.7710 6.7710 7.1938 7.1938 8.6444 8.6444 9.8632 9.8632 10.0056 10.0056 12.4754 12.4754 13.3971 13.3971 20.4720 20.4720 k = 0.4796-0.2769 0.3916 ( 3466 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6732 3.6732 3.6977 3.6977 3.9484 3.9484 3.9893 3.9893 4.1532 4.1532 4.7459 4.7459 4.9819 4.9819 5.4759 5.4759 5.8236 5.8236 6.0234 6.0234 6.2433 6.2433 6.4326 6.4326 6.4781 6.4781 6.6386 6.6386 6.7706 6.7706 7.1947 7.1947 8.5925 8.5925 9.8463 9.8463 9.9883 9.9883 12.4719 12.4719 13.3939 13.3939 20.4718 20.4718 k = 0.4898-0.2828 0.3999 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6729 3.6729 3.6973 3.6973 3.9480 3.9480 3.9891 3.9891 4.1537 4.1537 4.7519 4.7519 4.9859 4.9859 5.4755 5.4755 5.8221 5.8221 6.0244 6.0244 6.2422 6.2422 6.4363 6.4363 6.4841 6.4841 6.6500 6.6500 6.7704 6.7704 7.1953 7.1953 8.5607 8.5607 9.8361 9.8361 9.9778 9.9778 12.4697 12.4697 13.3918 13.3918 20.4717 20.4717 k = 0.5000-0.2887 0.4082 ( 3490 PWs) bands (ev): -64.6391 -64.6391 -31.5806 -31.5806 -31.2931 -31.2931 -31.2929 -31.2929 3.6727 3.6727 3.6971 3.6971 3.9479 3.9479 3.9890 3.9890 4.1539 4.1539 4.7539 4.7539 4.9873 4.9873 5.4754 5.4754 5.8214 5.8214 6.0248 6.0248 6.2418 6.2418 6.4374 6.4374 6.4860 6.4860 6.6539 6.6539 6.7703 6.7703 7.1954 7.1954 8.5499 8.5499 9.8327 9.8327 9.9743 9.9743 12.4690 12.4690 13.3912 13.3912 20.4716 20.4716 k = 0.5000-0.2887 0.4082 ( 3490 PWs) bands (ev): -64.6391 -64.6391 -31.5806 -31.5806 -31.2931 -31.2931 -31.2929 -31.2929 3.6727 3.6727 3.6971 3.6971 3.9479 3.9479 3.9890 3.9890 4.1539 4.1539 4.7539 4.7539 4.9873 4.9873 5.4754 5.4754 5.8214 5.8214 6.0248 6.0248 6.2418 6.2418 6.4374 6.4374 6.4860 6.4860 6.6539 6.6539 6.7703 6.7703 7.1954 7.1954 8.5499 8.5499 9.8327 9.8327 9.9743 9.9743 12.4690 12.4690 13.3912 13.3912 20.4716 20.4716 k = 0.5000-0.2771 0.4164 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6729 3.6729 3.6972 3.6972 3.9480 3.9480 3.9889 3.9889 4.1538 4.1538 4.7541 4.7541 4.9889 4.9889 5.4759 5.4759 5.8210 5.8210 6.0230 6.0230 6.2391 6.2391 6.4374 6.4374 6.4866 6.4866 6.6589 6.6589 6.7708 6.7708 7.1936 7.1936 8.5503 8.5503 9.8277 9.8277 9.9683 9.9683 12.4799 12.4799 13.3983 13.3983 20.4533 20.4533 k = 0.5000-0.2656 0.4246 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6732 3.6732 3.6973 3.6973 3.9482 3.9482 3.9887 3.9887 4.1534 4.1534 4.7545 4.7545 4.9935 4.9935 5.4774 5.4774 5.8194 5.8194 6.0175 6.0175 6.2316 6.2316 6.4370 6.4370 6.4878 6.4878 6.6731 6.6731 6.7725 6.7725 7.1880 7.1880 8.5514 8.5514 9.8127 9.8127 9.9504 9.9504 12.5119 12.5119 13.4194 13.4194 20.3995 20.3995 k = 0.5000-0.2540 0.4327 ( 3466 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6738 3.6738 3.6974 3.6974 3.9486 3.9486 3.9884 3.9884 4.1529 4.1529 4.7552 4.7552 5.0011 5.0011 5.4799 5.4799 5.8169 5.8169 6.0080 6.0080 6.2217 6.2217 6.4364 6.4364 6.4891 6.4891 6.6942 6.6942 6.7766 6.7766 7.1786 7.1786 8.5532 8.5532 9.7882 9.7882 9.9216 9.9216 12.5642 12.5642 13.4542 13.4542 20.3134 20.3134 k = 0.5000-0.2425 0.4409 ( 3454 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6746 3.6746 3.6976 3.6976 3.9491 3.9491 3.9880 3.9880 4.1520 4.1520 4.7562 4.7562 5.0117 5.0117 5.4833 5.4833 5.8134 5.8134 5.9945 5.9945 6.2116 6.2116 6.4356 6.4356 6.4899 6.4899 6.7169 6.7169 6.7867 6.7867 7.1656 7.1656 8.5558 8.5558 9.7553 9.7553 9.8831 9.8831 12.6353 12.6353 13.5021 13.5021 20.1992 20.1992 k = 0.5000-0.2309 0.4491 ( 3446 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6756 3.6756 3.6978 3.6978 3.9497 3.9497 3.9875 3.9875 4.1509 4.1509 4.7575 4.7575 5.0252 5.0252 5.4877 5.4877 5.8089 5.8089 5.9770 5.9770 6.2029 6.2029 6.4345 6.4345 6.4899 6.4899 6.7336 6.7336 6.8088 6.8088 7.1492 7.1492 8.5592 8.5592 9.7149 9.7149 9.8362 9.8362 12.7232 12.7232 13.5625 13.5625 20.0625 20.0625 k = 0.5000-0.2194 0.4572 ( 3452 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6767 3.6767 3.6980 3.6980 3.9503 3.9503 3.9870 3.9870 4.1495 4.1495 4.7591 4.7591 5.0413 5.0413 5.4928 5.4928 5.8034 5.8034 5.9560 5.9560 6.1965 6.1965 6.4332 6.4332 6.4891 6.4891 6.7417 6.7417 6.8436 6.8436 7.1297 7.1297 8.5632 8.5632 9.6683 9.6683 9.7823 9.7823 12.8262 12.8262 13.6344 13.6344 19.9082 19.9082 k = 0.5000-0.2078 0.4654 ( 3446 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6780 3.6780 3.6983 3.6983 3.9510 3.9510 3.9866 3.9866 4.1480 4.1480 4.7610 4.7610 5.0600 5.0600 5.4989 5.4989 5.7970 5.7970 5.9327 5.9327 6.1926 6.1926 6.4315 6.4315 6.4877 6.4877 6.7448 6.7448 6.8858 6.8858 7.1079 7.1079 8.5681 8.5681 9.6170 9.6170 9.7227 9.7227 12.9424 12.9424 13.7170 13.7170 19.7409 19.7409 k = 0.5000-0.1963 0.4736 ( 3452 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6793 3.6793 3.6986 3.6986 3.9515 3.9515 3.9863 3.9863 4.1461 4.1461 4.7633 4.7633 5.0810 5.0810 5.5058 5.5058 5.7897 5.7897 5.9079 5.9079 6.1908 6.1908 6.4296 6.4296 6.4856 6.4856 6.7454 6.7454 6.9299 6.9299 7.0861 7.0861 8.5737 8.5737 9.5623 9.5623 9.6583 9.6583 13.0703 13.0703 13.8095 13.8095 19.5639 19.5639 k = 0.5000-0.1848 0.4817 ( 3452 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6808 3.6808 3.6989 3.6989 3.9521 3.9521 3.9863 3.9863 4.1441 4.1441 4.7658 4.7658 5.1043 5.1043 5.5134 5.5134 5.7813 5.7813 5.8831 5.8831 6.1909 6.1909 6.4274 6.4274 6.4829 6.4829 6.7450 6.7450 6.9661 6.9661 7.0726 7.0726 8.5801 8.5801 9.5052 9.5052 9.5904 9.5904 13.2085 13.2085 13.9109 13.9109 19.3800 19.3800 k = 0.5000-0.1732 0.4899 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6824 3.6824 3.6993 3.6993 3.9524 3.9524 3.9866 3.9866 4.1419 4.1419 4.7686 4.7686 5.1294 5.1294 5.5214 5.5214 5.7720 5.7720 5.8591 5.8591 6.1925 6.1925 6.4248 6.4248 6.4797 6.4797 6.7437 6.7437 6.9726 6.9726 7.0887 7.0887 8.5873 8.5873 9.4466 9.4466 9.5199 9.5199 13.3558 13.3558 14.0207 14.0207 19.1913 19.1913 k = 0.5000-0.1617 0.4981 ( 3452 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6839 3.6839 3.6997 3.6997 3.9526 3.9526 3.9873 3.9873 4.1394 4.1394 4.7716 4.7716 5.1562 5.1562 5.5297 5.5297 5.7615 5.7615 5.8373 5.8373 6.1952 6.1952 6.4219 6.4219 6.4756 6.4756 6.7419 6.7419 6.9500 6.9500 7.1333 7.1333 8.5954 8.5954 9.3868 9.3868 9.4482 9.4482 13.5110 13.5110 14.1378 14.1378 18.9993 18.9993 k = 0.5000-0.1501 0.5062 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6855 3.6855 3.7001 3.7001 3.9526 3.9526 3.9885 3.9885 4.1368 4.1368 4.7749 4.7749 5.1844 5.1844 5.5376 5.5376 5.7501 5.7501 5.8185 5.8185 6.1987 6.1987 6.4189 6.4189 6.4708 6.4708 6.7391 6.7391 6.9169 6.9169 7.1885 7.1885 8.6043 8.6043 9.3252 9.3252 9.3773 9.3773 13.6733 13.6733 14.2619 14.2619 18.8051 18.8051 k = 0.5000-0.1386 0.5144 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6871 3.6871 3.7006 3.7006 3.9524 3.9524 3.9901 3.9901 4.1340 4.1340 4.7784 4.7784 5.2134 5.2134 5.5447 5.5447 5.7381 5.7381 5.8037 5.8037 6.2030 6.2030 6.4155 6.4155 6.4649 6.4649 6.7353 6.7353 6.8802 6.8802 7.2478 7.2478 8.6141 8.6141 9.2598 9.2598 9.3105 9.3105 13.8421 13.8421 14.3921 14.3921 18.6098 18.6098 k = 0.5000-0.1270 0.5226 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6886 3.6886 3.7010 3.7010 3.9521 3.9521 3.9920 3.9920 4.1311 4.1311 4.7819 4.7819 5.2430 5.2430 5.5499 5.5499 5.7262 5.7262 5.7937 5.7937 6.2076 6.2076 6.4118 6.4118 6.4576 6.4576 6.7293 6.7293 6.8432 6.8432 7.3092 7.3092 8.6249 8.6249 9.1891 9.1891 9.2500 9.2500 14.0166 14.0166 14.5280 14.5280 18.4138 18.4138 k = 0.5000-0.1155 0.5307 ( 3450 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6900 3.6900 3.7015 3.7015 3.9515 3.9515 3.9943 3.9943 4.1280 4.1280 4.7855 4.7855 5.2727 5.2727 5.5521 5.5521 5.7153 5.7153 5.7893 5.7893 6.2125 6.2125 6.4080 6.4080 6.4484 6.4484 6.7192 6.7192 6.8096 6.8096 7.3719 7.3719 8.6365 8.6365 9.1146 9.1146 9.1953 9.1953 14.1964 14.1964 14.6691 14.6691 18.2178 18.2178 k = 0.5000-0.1039 0.5389 ( 3446 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6914 3.6914 3.7020 3.7020 3.9509 3.9509 3.9969 3.9969 4.1249 4.1249 4.7891 4.7891 5.3020 5.3020 5.5509 5.5509 5.7053 5.7053 5.7917 5.7917 6.2176 6.2176 6.4039 6.4039 6.4363 6.4363 6.7020 6.7020 6.7840 6.7840 7.4355 7.4355 8.6493 8.6493 9.0385 9.0385 9.1451 9.1451 14.3809 14.3809 14.8149 14.8149 18.0222 18.0222 k = 0.5000-0.0924 0.5471 ( 3442 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6926 3.6926 3.7025 3.7025 3.9503 3.9503 3.9997 3.9997 4.1218 4.1218 4.7926 4.7926 5.3303 5.3303 5.5463 5.5463 5.6957 5.6957 5.8018 5.8018 6.2225 6.2225 6.3995 6.3995 6.4206 6.4206 6.6772 6.6772 6.7684 6.7684 7.4992 7.4992 8.6631 8.6631 8.9625 8.9625 9.0983 9.0983 14.5699 14.5699 14.9650 14.9650 17.8273 17.8273 k = 0.5000-0.0808 0.5552 ( 3442 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6937 3.6937 3.7030 3.7030 3.9497 3.9497 4.0026 4.0026 4.1187 4.1187 4.7960 4.7960 5.3572 5.3572 5.5391 5.5391 5.6860 5.6860 5.8196 5.8196 6.2271 6.2271 6.3928 6.3928 6.4020 6.4020 6.6497 6.6497 6.7598 6.7598 7.5624 7.5624 8.6779 8.6779 8.8877 8.8877 9.0547 9.0547 14.7628 14.7628 15.1189 15.1189 17.6332 17.6332 k = 0.5000-0.0693 0.5634 ( 3446 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6946 3.6946 3.7034 3.7034 3.9490 3.9490 4.0054 4.0054 4.1157 4.1157 4.7991 4.7991 5.3823 5.3823 5.5305 5.5305 5.6762 5.6762 5.8445 5.8445 6.2310 6.2310 6.3703 6.3703 6.3933 6.3933 6.6244 6.6244 6.7547 6.7547 7.6245 7.6245 8.6939 8.6939 8.8152 8.8152 9.0139 9.0139 14.9593 14.9593 15.2763 15.2763 17.4400 17.4400 k = 0.5000-0.0577 0.5715 ( 3446 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6954 3.6954 3.7037 3.7037 3.9485 3.9485 4.0082 4.0082 4.1129 4.1129 4.8019 4.8019 5.4052 5.4052 5.5215 5.5215 5.6664 5.6664 5.8754 5.8754 6.2334 6.2334 6.3384 6.3384 6.3891 6.3891 6.6038 6.6038 6.7514 6.7514 7.6842 7.6842 8.7107 8.7107 8.7469 8.7469 8.9758 8.9758 15.1592 15.1592 15.4366 15.4366 17.2468 17.2468 k = 0.5000-0.0462 0.5797 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6961 3.6961 3.7041 3.7041 3.9480 3.9480 4.0107 4.0107 4.1104 4.1104 4.8044 4.8044 5.4255 5.4255 5.5130 5.5130 5.6569 5.6569 5.9113 5.9113 6.2319 6.2319 6.3039 6.3039 6.3856 6.3856 6.5884 6.5884 6.7493 6.7493 7.7399 7.7399 8.6821 8.6821 8.7307 8.7307 8.9402 8.9402 15.3621 15.3621 15.5989 15.5989 17.0513 17.0513 k = 0.5000-0.0346 0.5879 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6966 3.6966 3.7043 3.7043 3.9476 3.9476 4.0128 4.0128 4.1083 4.1083 4.8064 4.8064 5.4429 5.4429 5.5053 5.5053 5.6484 5.6484 5.9513 5.9513 6.2184 6.2184 6.2766 6.2766 6.3827 6.3827 6.5776 6.5776 6.7477 6.7477 7.7894 7.7894 8.6269 8.6269 8.7504 8.7504 8.9071 8.9071 15.5672 15.5672 15.7618 15.7618 16.8491 16.8491 k = 0.5000-0.0231 0.5960 ( 3440 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6970 3.6970 3.7046 3.7046 3.9474 3.9474 4.0144 4.0144 4.1067 4.1067 4.8079 4.8079 5.4569 5.4569 5.4988 5.4988 5.6414 5.6414 5.9940 5.9940 6.1855 6.1855 6.2657 6.2657 6.3805 6.3805 6.5705 6.5705 6.7468 6.7468 7.8294 7.8294 8.5826 8.5826 8.7718 8.7718 8.8763 8.8763 15.7735 15.7735 15.9218 15.9218 16.6397 16.6397 k = 0.5000-0.0115 0.6042 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6972 3.6972 3.7047 3.7047 3.9472 3.9472 4.0154 4.0154 4.1057 4.1057 4.8087 4.8087 5.4667 5.4667 5.4937 5.4937 5.6367 5.6367 6.0374 6.0374 6.1439 6.1439 6.2631 6.2631 6.3791 6.3791 6.5665 6.5665 6.7461 6.7461 7.8559 7.8559 8.5535 8.5535 8.7948 8.7948 8.8477 8.8477 15.9743 15.9743 16.0703 16.0703 16.4288 16.4288 k = 0.5000-0.0000 0.6124 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6972 3.6972 3.7047 3.7047 3.9471 3.9471 4.0158 4.0158 4.1053 4.1053 4.8091 4.8091 5.4706 5.4706 5.4915 5.4915 5.6351 5.6351 6.0662 6.0662 6.1152 6.1152 6.2626 6.2626 6.3786 6.3786 6.5652 6.5652 6.7459 6.7459 7.8652 7.8652 8.5433 8.5433 8.8148 8.8148 8.8259 8.8259 16.0909 16.0909 16.2108 16.2108 16.2404 16.2404 k = 0.5000-0.0000 0.6124 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6972 3.6972 3.7047 3.7047 3.9471 3.9471 4.0158 4.0158 4.1053 4.1053 4.8091 4.8091 5.4706 5.4706 5.4915 5.4915 5.6351 5.6351 6.0662 6.0662 6.1152 6.1152 6.2626 6.2626 6.3786 6.3786 6.5652 6.5652 6.7459 6.7459 7.8652 7.8652 8.5433 8.5433 8.8148 8.8148 8.8259 8.8259 16.0909 16.0909 16.2108 16.2108 16.2404 16.2404 k = 0.4931 0.0120 0.6124 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6972 3.6972 3.7047 3.7047 3.9472 3.9472 4.0156 4.0156 4.1054 4.1054 4.8086 4.8086 5.4686 5.4686 5.4929 5.4929 5.6360 5.6360 6.0495 6.0495 6.1316 6.1316 6.2626 6.2626 6.3785 6.3785 6.5658 6.5658 6.7458 6.7458 7.8583 7.8583 8.5282 8.5282 8.8028 8.8028 8.8648 8.8648 15.9743 15.9743 16.1619 16.1619 16.3671 16.3671 k = 0.4861 0.0241 0.6124 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6970 3.6970 3.7049 3.7049 3.9474 3.9474 4.0152 4.0152 4.1058 4.1058 4.8075 4.8075 5.4640 5.4640 5.4962 5.4962 5.6384 5.6384 6.0206 6.0206 6.1594 6.1594 6.2628 6.2628 6.3784 6.3784 6.5675 6.5675 6.7455 6.7455 7.8411 7.8411 8.4901 8.4901 8.7879 8.7879 8.9498 8.9498 15.7625 15.7625 16.1477 16.1477 16.5151 16.5151 k = 0.4792 0.0361 0.6124 ( 3442 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6966 3.6966 3.7052 3.7052 3.9478 3.9478 4.0145 4.0145 4.1064 4.1064 4.8056 4.8056 5.4579 5.4579 5.5005 5.5005 5.6421 5.6421 5.9903 5.9903 6.1861 6.1861 6.2643 6.2643 6.3785 6.3785 6.5704 6.5704 6.7449 6.7449 7.8179 7.8179 8.4413 8.4413 8.7745 8.7745 9.0593 9.0593 15.5408 15.5408 16.1282 16.1282 16.6661 16.6661 k = 0.4722 0.0481 0.6124 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6961 3.6961 3.7055 3.7055 3.9483 3.9483 4.0135 4.0135 4.1072 4.1072 4.8032 4.8032 5.4510 5.4510 5.5057 5.5057 5.6466 5.6466 5.9609 5.9609 6.2060 6.2060 6.2702 6.2702 6.3792 6.3792 6.5747 6.5747 6.7441 6.7441 7.7917 7.7917 8.3886 8.3886 8.7625 8.7625 9.1831 9.1831 15.3186 15.3186 16.1057 16.1057 16.8174 16.8174 k = 0.4653 0.0601 0.6124 ( 3452 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6956 3.6956 3.7059 3.7059 3.9490 3.9490 4.0122 4.0122 4.1081 4.1081 4.8004 4.8004 5.4436 5.4436 5.5117 5.5117 5.6516 5.6516 5.9329 5.9329 6.2143 6.2143 6.2841 6.2841 6.3809 6.3809 6.5805 6.5805 6.7432 6.7432 7.7643 7.7643 8.3352 8.3352 8.7520 8.7520 9.3159 9.3159 15.0985 15.0985 16.0826 16.0826 16.9662 16.9662 k = 0.4583 0.0722 0.6124 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6949 3.6949 3.7063 3.7063 3.9498 3.9498 4.0108 4.0108 4.1093 4.1093 4.7974 4.7974 5.4357 5.4357 5.5184 5.5184 5.6571 5.6571 5.9069 5.9069 6.2127 6.2127 6.3033 6.3033 6.3842 6.3842 6.5879 6.5879 6.7421 6.7421 7.7371 7.7371 8.2825 8.2825 8.7427 8.7427 9.4547 9.4547 14.8817 14.8817 16.0600 16.0600 17.1108 17.1108 k = 0.4514 0.0842 0.6124 ( 3454 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6942 3.6942 3.7067 3.7067 3.9508 3.9508 4.0092 4.0092 4.1105 4.1105 4.7941 4.7941 5.4277 5.4277 5.5257 5.5257 5.6627 5.6627 5.8831 5.8831 6.2053 6.2053 6.3219 6.3219 6.3900 6.3900 6.5971 6.5971 6.7411 6.7411 7.7106 7.7106 8.2313 8.2313 8.7345 8.7345 9.5972 9.5972 14.6692 14.6692 16.0386 16.0386 17.2527 17.2527 k = 0.4444 0.0962 0.6124 ( 3453 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6934 3.6934 3.7072 3.7072 3.9519 3.9519 4.0074 4.0074 4.1117 4.1117 4.7908 4.7908 5.4197 5.4197 5.5333 5.5333 5.6686 5.6686 5.8618 5.8618 6.1948 6.1948 6.3367 6.3367 6.3989 6.3989 6.6081 6.6081 6.7405 6.7405 7.6855 7.6855 8.1824 8.1824 8.7274 8.7274 9.7419 9.7419 14.4618 14.4618 16.0187 16.0187 17.3943 17.3943 k = 0.4375 0.1083 0.6124 ( 3450 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6927 3.6927 3.7076 3.7076 3.9531 3.9531 4.0056 4.0056 4.1130 4.1130 4.7875 4.7875 5.4119 5.4119 5.5407 5.5407 5.6748 5.6748 5.8430 5.8430 6.1823 6.1823 6.3467 6.3467 6.4105 6.4105 6.6206 6.6206 6.7404 6.7404 7.6619 7.6619 8.1362 8.1362 8.7213 8.7213 9.8871 9.8871 14.2607 14.2607 16.0005 16.0005 17.5365 17.5365 k = 0.4306 0.1203 0.6124 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6919 3.6919 3.7080 3.7080 3.9544 3.9544 4.0037 4.0037 4.1143 4.1143 4.7843 4.7843 5.4043 5.4043 5.5478 5.5478 5.6813 5.6813 5.8269 5.8269 6.1684 6.1684 6.3530 6.3530 6.4231 6.4231 6.6338 6.6338 6.7412 6.7412 7.6400 7.6400 8.0932 8.0932 8.7160 8.7160 10.0313 10.0313 14.0671 14.0671 15.9840 15.9840 17.6798 17.6798 k = 0.4236 0.1323 0.6124 ( 3452 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6911 3.6911 3.7084 3.7084 3.9558 3.9558 4.0019 4.0019 4.1155 4.1155 4.7813 4.7813 5.3973 5.3973 5.5540 5.5540 5.6882 5.6882 5.8134 5.8134 6.1538 6.1538 6.3571 6.3571 6.4352 6.4352 6.6468 6.6468 6.7436 6.7436 7.6201 7.6201 8.0538 8.0538 8.7114 8.7114 10.1725 10.1725 13.8828 13.8828 15.9694 15.9694 17.8240 17.8240 k = 0.4167 0.1443 0.6124 ( 3459 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6904 3.6904 3.7087 3.7087 3.9571 3.9571 4.0001 4.0001 4.1165 4.1165 4.7786 4.7786 5.3908 5.3908 5.5592 5.5592 5.6953 5.6953 5.8025 5.8025 6.1391 6.1391 6.3599 6.3599 6.4457 6.4457 6.6584 6.6584 6.7479 6.7479 7.6021 7.6021 8.0185 8.0185 8.7077 8.7077 10.3084 10.3084 13.7097 13.7097 15.9567 15.9567 17.9686 17.9686 k = 0.4097 0.1564 0.6124 ( 3461 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6898 3.6898 3.7090 3.7090 3.9585 3.9585 3.9983 3.9983 4.1175 4.1175 4.7761 4.7761 5.3851 5.3851 5.5632 5.5632 5.7026 5.7026 5.7939 5.7939 6.1249 6.1249 6.3618 6.3618 6.4546 6.4546 6.6676 6.6676 6.7544 6.7544 7.5863 7.5863 7.9878 7.9878 8.7046 8.7046 10.4361 10.4361 13.5508 13.5508 15.9458 15.9458 18.1129 18.1129 k = 0.4028 0.1684 0.6124 ( 3461 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6893 3.6893 3.7093 3.7093 3.9597 3.9597 3.9968 3.9968 4.1184 4.1184 4.7741 4.7741 5.3802 5.3802 5.5662 5.5662 5.7097 5.7097 5.7874 5.7874 6.1119 6.1119 6.3633 6.3633 6.4617 6.4617 6.6739 6.6739 6.7625 6.7625 7.5727 7.5727 7.9621 7.9621 8.7021 8.7021 10.5517 10.5517 13.4098 13.4098 15.9370 15.9370 18.2553 18.2553 k = 0.3958 0.1804 0.6124 ( 3463 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6889 3.6889 3.7095 3.7095 3.9608 3.9608 3.9954 3.9954 4.1190 4.1190 4.7725 4.7725 5.3763 5.3763 5.5681 5.5681 5.7160 5.7160 5.7828 5.7828 6.1007 6.1007 6.3643 6.3643 6.4671 6.4671 6.6779 6.6779 6.7709 6.7709 7.5618 7.5618 7.9416 7.9416 8.7002 8.7002 10.6505 10.6505 13.2913 13.2913 15.9301 15.9301 18.3926 18.3926 k = 0.3889 0.1925 0.6124 ( 3461 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6886 3.6886 3.7096 3.7096 3.9616 3.9616 3.9944 3.9944 4.1196 4.1196 4.7713 4.7713 5.3734 5.3734 5.5694 5.5694 5.7210 5.7210 5.7798 5.7798 6.0921 6.0921 6.3650 6.3650 6.4709 6.4709 6.6802 6.6802 6.7781 6.7781 7.5537 7.5537 7.9268 7.9268 8.6989 8.6989 10.7271 10.7271 13.2006 13.2006 15.9252 15.9252 18.5177 18.5177 k = 0.3819 0.2045 0.6124 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6884 3.6884 3.7097 3.7097 3.9622 3.9622 3.9938 3.9938 4.1199 4.1199 4.7706 4.7706 5.3716 5.3716 5.5700 5.5700 5.7242 5.7242 5.7782 5.7782 6.0867 6.0867 6.3654 6.3654 6.4731 6.4731 6.6813 6.6813 6.7830 6.7830 7.5487 7.5487 7.9179 7.9179 8.6981 8.6981 10.7759 10.7759 13.1434 13.1434 15.9222 15.9222 18.6148 18.6148 k = 0.3750 0.2165 0.6124 ( 3480 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6883 3.6883 3.7097 3.7097 3.9623 3.9623 3.9935 3.9935 4.1199 4.1199 4.7703 4.7703 5.3710 5.3710 5.5702 5.5702 5.7253 5.7253 5.7776 5.7776 6.0847 6.0847 6.3654 6.3654 6.4738 6.4738 6.6815 6.6815 6.7846 6.7846 7.5470 7.5470 7.9148 7.9148 8.6978 8.6978 10.7927 10.7927 13.1237 13.1237 15.9212 15.9212 18.6541 18.6541 k = 0.3750 0.2165 0.6124 ( 3480 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6883 3.6883 3.7097 3.7097 3.9623 3.9623 3.9935 3.9935 4.1199 4.1199 4.7703 4.7703 5.3710 5.3710 5.5702 5.5702 5.7253 5.7253 5.7776 5.7776 6.0847 6.0847 6.3654 6.3654 6.4738 6.4738 6.6815 6.6815 6.7846 6.7846 7.5470 7.5470 7.9148 7.9148 8.6978 8.6978 10.7927 10.7927 13.1237 13.1237 15.9212 15.9212 18.6541 18.6541 k = 0.3678 0.2123 0.6006 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6889 3.6889 3.7112 3.7112 3.9629 3.9629 3.9964 3.9964 4.1164 4.1164 4.7670 4.7670 5.4038 5.4038 5.5725 5.5725 5.7182 5.7182 5.7789 5.7789 6.0771 6.0771 6.3544 6.3544 6.4704 6.4704 6.6682 6.6682 6.7615 6.7615 7.5178 7.5178 7.8940 7.8940 8.7198 8.7198 10.8833 10.8833 13.1529 13.1529 16.1611 16.1611 18.5467 18.5467 k = 0.3606 0.2082 0.5888 ( 3468 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6893 3.6893 3.7127 3.7127 3.9634 3.9634 3.9994 3.9994 4.1128 4.1128 4.7619 4.7619 5.4350 5.4350 5.5744 5.5744 5.7062 5.7062 5.7887 5.7887 6.0694 6.0694 6.3420 6.3420 6.4658 6.4658 6.6527 6.6527 6.7424 6.7424 7.4365 7.4365 7.9323 7.9323 8.7441 8.7441 10.9766 10.9766 13.1832 13.1832 16.4035 16.4035 18.4417 18.4417 k = 0.3534 0.2040 0.5770 ( 3476 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6897 3.6897 3.7140 3.7140 3.9638 3.9638 4.0026 4.0026 4.1091 4.1091 4.7550 4.7550 5.4640 5.4640 5.5763 5.5763 5.6910 5.6910 5.8050 5.8050 6.0619 6.0619 6.3279 6.3279 6.4600 6.4600 6.6364 6.6364 6.7271 6.7271 7.3337 7.3337 7.9999 7.9999 8.7707 8.7707 11.0724 11.0724 13.2147 13.2147 16.6476 16.6476 18.3392 18.3392 k = 0.3462 0.1999 0.5653 ( 3480 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6901 3.6901 3.7154 3.7154 3.9642 3.9642 4.0059 4.0059 4.1053 4.1053 4.7458 4.7458 5.4900 5.4900 5.5789 5.5789 5.6740 5.6740 5.8260 5.8260 6.0545 6.0545 6.3118 6.3118 6.4528 6.4528 6.6205 6.6205 6.7152 6.7152 7.2262 7.2262 8.0805 8.0805 8.8000 8.8000 11.1708 11.1708 13.2476 13.2476 16.8922 16.8922 18.2391 18.2391 k = 0.3389 0.1957 0.5535 ( 3480 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6905 3.6905 3.7167 3.7167 3.9646 3.9646 4.0093 4.0093 4.1014 4.1014 4.7342 4.7342 5.5123 5.5123 5.5824 5.5824 5.6560 5.6560 5.8509 5.8509 6.0473 6.0473 6.2934 6.2934 6.4444 6.4444 6.6062 6.6062 6.7058 6.7058 7.1211 7.1211 8.1682 8.1682 8.8319 8.8319 11.2716 11.2716 13.2820 13.2820 17.1350 17.1350 18.1416 18.1416 k = 0.3317 0.1915 0.5417 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6909 3.6909 3.7179 3.7179 3.9650 3.9650 4.0127 4.0127 4.0976 4.0976 4.7197 4.7197 5.5300 5.5300 5.5868 5.5868 5.6376 5.6376 5.8789 5.8789 6.0402 6.0402 6.2722 6.2722 6.4350 6.4350 6.5946 6.5946 6.6986 6.6986 7.0214 7.0214 8.2607 8.2607 8.8668 8.8668 11.3747 11.3747 13.3181 13.3181 17.3714 17.3714 18.0465 18.0465 k = 0.3245 0.1874 0.5299 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6911 3.6911 3.7191 3.7191 3.9653 3.9653 4.0160 4.0160 4.0937 4.0937 4.7021 4.7021 5.5421 5.5421 5.5912 5.5912 5.6208 5.6208 5.9093 5.9093 6.0331 6.0331 6.2483 6.2483 6.4252 6.4252 6.5856 6.5856 6.6930 6.6930 6.9291 6.9291 8.3566 8.3566 8.9049 8.9049 11.4799 11.4799 13.3558 13.3558 17.5883 17.5883 17.9539 17.9539 k = 0.3173 0.1832 0.5182 ( 3478 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6913 3.6913 3.7202 3.7202 3.9656 3.9656 4.0193 4.0193 4.0897 4.0897 4.6811 4.6811 5.5461 5.5461 5.5925 5.5925 5.6110 5.6110 5.9412 5.9412 6.0259 6.0259 6.2221 6.2221 6.4154 6.4154 6.5794 6.5794 6.6890 6.6890 6.8455 6.8455 8.4556 8.4556 8.9462 8.9462 11.5871 11.5871 13.3954 13.3954 17.7417 17.7417 17.8647 17.8647 k = 0.3101 0.1790 0.5064 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6914 3.6914 3.7212 3.7212 3.9658 3.9658 4.0224 4.0224 4.0858 4.0858 4.6564 4.6564 5.5380 5.5380 5.5921 5.5921 5.6109 5.6109 5.9735 5.9735 6.0187 6.0187 6.1943 6.1943 6.4059 6.4059 6.5760 6.5760 6.6862 6.6862 6.7718 6.7718 8.5572 8.5572 8.9909 8.9909 11.6963 11.6963 13.4368 13.4368 17.7512 17.7512 17.7864 17.7864 k = 0.3029 0.1749 0.4946 ( 3470 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6914 3.6914 3.7222 3.7222 3.9659 3.9659 4.0254 4.0254 4.0819 4.0819 4.6276 4.6276 5.5194 5.5194 5.5958 5.5958 5.6129 5.6129 5.9987 5.9987 6.0172 6.0172 6.1667 6.1667 6.3967 6.3967 6.5752 6.5752 6.6827 6.6827 6.7104 6.7104 8.6613 8.6613 9.0394 9.0394 11.8074 11.8074 13.4801 13.4801 17.6651 17.6651 17.7074 17.7074 k = 0.2957 0.1707 0.4828 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6914 3.6914 3.7231 3.7231 3.9658 3.9658 4.0281 4.0281 4.0781 4.0781 4.5946 4.5946 5.4959 5.4959 5.6021 5.6021 5.6134 5.6134 5.9947 5.9947 6.0402 6.0402 6.1425 6.1425 6.3877 6.3877 6.5771 6.5771 6.6507 6.6507 6.6893 6.6893 8.7679 8.7679 9.0917 9.0917 11.9202 11.9202 13.5255 13.5255 17.5570 17.5570 17.6207 17.6207 k = 0.2885 0.1665 0.4711 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6911 3.6911 3.7239 3.7239 3.9654 3.9654 4.0306 4.0306 4.0742 4.0742 4.5572 4.5572 5.4701 5.4701 5.6090 5.6090 5.6116 5.6116 5.9824 5.9824 6.0577 6.0577 6.1312 6.1312 6.3785 6.3785 6.5815 6.5815 6.6088 6.6088 6.6898 6.6898 8.8766 8.8766 9.1479 9.1479 12.0348 12.0348 13.5728 13.5728 17.4377 17.4377 17.5380 17.5380 k = 0.2812 0.1624 0.4593 ( 3468 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6907 3.6907 3.7247 3.7247 3.9645 3.9645 4.0328 4.0328 4.0705 4.0705 4.5157 4.5157 5.4434 5.4434 5.6073 5.6073 5.6161 5.6161 5.9668 5.9668 6.0531 6.0531 6.1446 6.1446 6.3690 6.3690 6.5730 6.5730 6.5912 6.5912 6.6926 6.6926 8.9876 8.9876 9.2084 9.2084 12.1509 12.1509 13.6223 13.6223 17.3140 17.3140 17.4588 17.4588 k = 0.2740 0.1582 0.4475 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6900 3.6900 3.7255 3.7255 3.9631 3.9631 4.0348 4.0348 4.0669 4.0669 4.4701 4.4701 5.4165 5.4165 5.6008 5.6008 5.6228 5.6228 5.9487 5.9487 6.0366 6.0366 6.1722 6.1722 6.3595 6.3595 6.5485 6.5485 6.6010 6.6010 6.6971 6.6971 9.1008 9.1008 9.2732 9.2732 12.2687 12.2687 13.6738 13.6738 17.1896 17.1896 17.3820 17.3820 k = 0.2668 0.1541 0.4357 ( 3461 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6890 3.6890 3.7262 3.7262 3.9608 3.9608 4.0363 4.0363 4.0633 4.0633 4.4211 4.4211 5.3902 5.3902 5.5920 5.5920 5.6287 5.6287 5.9289 5.9289 6.0180 6.0180 6.2036 6.2036 6.3502 6.3502 6.5305 6.5305 6.6140 6.6140 6.7031 6.7031 9.2161 9.2161 9.3425 9.3425 12.3878 12.3878 13.7274 13.7274 17.0657 17.0657 17.3053 17.3053 k = 0.2596 0.1499 0.4240 ( 3461 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6875 3.6875 3.7268 3.7268 3.9572 3.9572 4.0376 4.0376 4.0600 4.0600 4.3694 4.3694 5.3649 5.3649 5.5813 5.5813 5.6336 5.6336 5.9084 5.9084 5.9991 5.9991 6.2355 6.2355 6.3421 6.3421 6.5185 6.5185 6.6292 6.6292 6.7108 6.7108 9.3335 9.3335 9.4164 9.4164 12.5085 12.5085 13.7831 13.7831 16.9434 16.9434 17.2178 17.2178 k = 0.2524 0.1457 0.4122 ( 3463 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6855 3.6855 3.7274 3.7274 3.9517 3.9517 4.0384 4.0384 4.0570 4.0570 4.3162 4.3162 5.3409 5.3409 5.5689 5.5689 5.6373 5.6373 5.8881 5.8881 5.9802 5.9802 6.2664 6.2664 6.3365 6.3365 6.5113 6.5113 6.6456 6.6456 6.7204 6.7204 9.4530 9.4530 9.4950 9.4950 12.6304 12.6304 13.8409 13.8409 16.8231 16.8231 17.1011 17.1011 k = 0.2452 0.1416 0.4004 ( 3463 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6827 3.6827 3.7280 3.7280 3.9433 3.9433 4.0387 4.0387 4.0543 4.0543 4.2633 4.2633 5.3186 5.3186 5.5550 5.5550 5.6398 5.6398 5.8685 5.8685 5.9609 5.9609 6.2939 6.2939 6.3360 6.3360 6.5078 6.5078 6.6624 6.6624 6.7326 6.7326 9.5735 9.5735 9.5796 9.5796 12.7536 12.7536 13.9007 13.9007 16.7051 16.7051 16.9737 16.9737 k = 0.2380 0.1374 0.3886 ( 3471 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6787 3.6787 3.7285 3.7285 3.9307 3.9307 4.0386 4.0386 4.0520 4.0520 4.2130 4.2130 5.2979 5.2979 5.5399 5.5399 5.6409 5.6409 5.8495 5.8495 5.9412 5.9412 6.3104 6.3104 6.3483 6.3483 6.5075 6.5075 6.6784 6.6784 6.7478 6.7478 9.6661 9.6661 9.6989 9.6989 12.8780 12.8780 13.9624 13.9624 16.5898 16.5898 16.8457 16.8457 k = 0.2308 0.1332 0.3768 ( 3483 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6728 3.6728 3.7289 3.7289 3.9123 3.9123 4.0381 4.0381 4.0501 4.0501 4.1680 4.1680 5.2790 5.2790 5.5239 5.5239 5.6408 5.6408 5.8312 5.8312 5.9210 5.9210 6.3164 6.3164 6.3731 6.3731 6.5100 6.5100 6.6930 6.6930 6.7659 6.7659 9.7593 9.7593 9.8247 9.8247 13.0035 13.0035 14.0258 14.0258 16.4773 16.4773 16.7190 16.7190 k = 0.2236 0.1291 0.3651 ( 3487 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6641 3.6641 3.7293 3.7293 3.8871 3.8871 4.0373 4.0373 4.0486 4.0486 4.1309 4.1309 5.2618 5.2618 5.5070 5.5070 5.6396 5.6396 5.8134 5.8134 5.9005 5.9005 6.3209 6.3209 6.4005 6.4005 6.5155 6.5155 6.7064 6.7064 6.7866 6.7866 9.8573 9.8573 9.9526 9.9526 13.1300 13.1300 14.0909 14.0909 16.3678 16.3678 16.5945 16.5945 k = 0.2163 0.1249 0.3533 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6507 3.6507 3.7296 3.7296 3.8564 3.8564 4.0366 4.0366 4.0473 4.0473 4.1030 4.1030 5.2462 5.2462 5.4896 5.4896 5.6376 5.6376 5.7956 5.7956 5.8800 5.8800 6.3268 6.3268 6.4270 6.4270 6.5246 6.5246 6.7189 6.7189 6.8092 6.8092 9.9603 9.9603 10.0827 10.0827 13.2574 13.2574 14.1574 14.1574 16.2617 16.2617 16.4726 16.4726 k = 0.2091 0.1207 0.3415 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6299 3.6299 3.7299 3.7299 3.8242 3.8242 4.0359 4.0359 4.0460 4.0460 4.0831 4.0831 5.2321 5.2321 5.4717 5.4717 5.6349 5.6349 5.7775 5.7775 5.8595 5.8595 6.3345 6.3345 6.4505 6.4505 6.5380 6.5380 6.7307 6.7307 6.8327 6.8327 10.0681 10.0681 10.2149 10.2149 13.3856 13.3856 14.2249 14.2249 16.1588 16.1588 16.3537 16.3537 k = 0.2019 0.1166 0.3297 ( 3469 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.5991 3.5991 3.7302 3.7302 3.7959 3.7959 4.0354 4.0354 4.0447 4.0447 4.0694 4.0694 5.2193 5.2193 5.4535 5.4535 5.6316 5.6316 5.7589 5.7589 5.8396 5.8396 6.3442 6.3442 6.4701 6.4701 6.5564 6.5564 6.7424 6.7424 6.8568 6.8568 10.1807 10.1807 10.3491 10.3491 13.5145 13.5145 14.2930 14.2930 16.0595 16.0595 16.2387 16.2387 k = 0.1947 0.1124 0.3180 ( 3469 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.5574 3.5574 3.7303 3.7303 3.7745 3.7745 4.0352 4.0352 4.0431 4.0431 4.0600 4.0600 5.2078 5.2078 5.4351 5.4351 5.6280 5.6280 5.7396 5.7396 5.8203 5.8203 6.3554 6.3554 6.4856 6.4856 6.5794 6.5794 6.7541 6.7541 6.8807 6.8807 10.2982 10.2982 10.4854 10.4854 13.6439 13.6439 14.3609 14.3609 15.9634 15.9634 16.1284 16.1284 k = 0.1875 0.1083 0.3062 ( 3471 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.5070 3.5070 3.7304 3.7304 3.7598 3.7598 4.0350 4.0350 4.0414 4.0414 4.0535 4.0535 5.1974 5.1974 5.4166 5.4166 5.6241 5.6241 5.7195 5.7195 5.8019 5.8019 6.3681 6.3681 6.4982 6.4982 6.6055 6.6055 6.7662 6.7662 6.9043 6.9043 10.4203 10.4203 10.6237 10.6237 13.7737 13.7737 14.4279 14.4279 15.8702 15.8702 16.0243 16.0243 k = 0.1803 0.1041 0.2944 ( 3463 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.4510 3.4510 3.7305 3.7305 3.7500 3.7500 4.0345 4.0345 4.0396 4.0396 4.0492 4.0492 5.1880 5.1880 5.3981 5.3981 5.6201 5.6201 5.6987 5.6987 5.7845 5.7845 6.3820 6.3820 6.5092 6.5092 6.6335 6.6335 6.7788 6.7788 6.9273 6.9273 10.5472 10.5472 10.7641 10.7641 13.9038 13.9038 14.4928 14.4928 15.7789 15.7789 15.9288 15.9288 k = 0.1731 0.0999 0.2826 ( 3471 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.3920 3.3920 3.7304 3.7304 3.7433 3.7433 4.0331 4.0331 4.0382 4.0382 4.0467 4.0467 5.1794 5.1794 5.3796 5.3796 5.6160 5.6160 5.6774 5.6774 5.7680 5.7680 6.3967 6.3967 6.5191 6.5191 6.6620 6.6620 6.7920 6.7920 6.9495 6.9495 10.6785 10.6785 10.9065 10.9065 14.0337 14.0337 14.5539 14.5539 15.6882 15.6882 15.8449 15.8449 k = 0.1659 0.0958 0.2709 ( 3475 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.3319 3.3319 3.7303 3.7303 3.7386 3.7386 4.0309 4.0309 4.0372 4.0372 4.0455 4.0455 5.1716 5.1716 5.3614 5.3614 5.6118 5.6118 5.6558 5.6558 5.7524 5.7524 6.4120 6.4120 6.5286 6.5286 6.6902 6.6902 6.8062 6.8062 6.9708 6.9708 10.8142 10.8142 11.0509 11.0509 14.1633 14.1633 14.6091 14.6091 15.5970 15.5970 15.7758 15.7758 k = 0.1587 0.0916 0.2591 ( 3475 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.2717 3.2717 3.7302 3.7302 3.7351 3.7351 4.0286 4.0286 4.0361 4.0361 4.0455 4.0455 5.1645 5.1645 5.3433 5.3433 5.6073 5.6073 5.6347 5.6347 5.7376 5.7376 6.4278 6.4278 6.5377 6.5377 6.7174 6.7174 6.8217 6.8217 6.9911 6.9911 10.9542 10.9542 11.1973 11.1973 14.2924 14.2924 14.6560 14.6560 15.5052 15.5052 15.7244 15.7244 k = 0.1514 0.0874 0.2473 ( 3477 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.2122 3.2122 3.7299 3.7299 3.7326 3.7326 4.0262 4.0262 4.0346 4.0346 4.0462 4.0462 5.1580 5.1580 5.3255 5.3255 5.6003 5.6003 5.6162 5.6162 5.7236 5.7236 6.4437 6.4437 6.5467 6.5467 6.7430 6.7430 6.8389 6.8389 7.0105 7.0105 11.0984 11.0984 11.3457 11.3457 14.4204 14.4204 14.6917 14.6917 15.4138 15.4138 15.6925 15.6925 k = 0.1442 0.0833 0.2355 ( 3477 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.1541 3.1541 3.7296 3.7296 3.7307 3.7307 4.0241 4.0241 4.0329 4.0329 4.0475 4.0475 5.1520 5.1520 5.3080 5.3080 5.5856 5.5856 5.6061 5.6061 5.7102 5.7102 6.4597 6.4597 6.5554 6.5554 6.7664 6.7664 6.8581 6.8581 7.0288 7.0288 11.2465 11.2465 11.4960 11.4960 14.5464 14.5464 14.7143 14.7143 15.3238 15.3238 15.6815 15.6815 k = 0.1370 0.0791 0.2238 ( 3483 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.0976 3.0976 3.7287 3.7287 3.7296 3.7296 4.0221 4.0221 4.0311 4.0311 4.0490 4.0490 5.1465 5.1465 5.2908 5.2908 5.5662 5.5662 5.6014 5.6014 5.6974 5.6974 6.4756 6.4756 6.5639 6.5639 6.7872 6.7872 6.8793 6.8793 7.0460 7.0460 11.3984 11.3984 11.6483 11.6483 14.6660 14.6660 14.7269 14.7269 15.2360 15.2360 15.6915 15.6915 k = 0.1298 0.0749 0.2120 ( 3483 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.0432 3.0432 3.7275 3.7275 3.7290 3.7290 4.0204 4.0204 4.0292 4.0292 4.0507 4.0507 5.1414 5.1414 5.2740 5.2740 5.5466 5.5466 5.5980 5.5980 5.6853 5.6853 6.4913 6.4913 6.5721 6.5721 6.8057 6.8057 6.9024 6.9024 7.0623 7.0623 11.5539 11.5539 11.8025 11.8025 14.7067 14.7067 14.8019 14.8019 15.1512 15.1512 15.7210 15.7210 k = 0.1226 0.0708 0.2002 ( 3483 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.9909 2.9909 3.7265 3.7265 3.7286 3.7286 4.0188 4.0188 4.0274 4.0274 4.0525 4.0525 5.1366 5.1366 5.2576 5.2576 5.5277 5.5277 5.5950 5.5950 5.6737 5.6737 6.5066 6.5066 6.5801 6.5801 6.8220 6.8220 6.9267 6.9267 7.0775 7.0775 11.7127 11.7127 11.9585 11.9585 14.6908 14.6908 14.9185 14.9185 15.0698 15.0698 15.7669 15.7669 k = 0.1154 0.0666 0.1884 ( 3483 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.9411 2.9411 3.7256 3.7256 3.7281 3.7281 4.0174 4.0174 4.0255 4.0255 4.0544 4.0544 5.1321 5.1321 5.2416 5.2416 5.5097 5.5097 5.5924 5.5924 5.6628 5.6628 6.5215 6.5215 6.5878 6.5878 6.8367 6.8367 6.9516 6.9516 7.0916 7.0916 11.8747 11.8747 12.1163 12.1163 14.6640 14.6640 14.9916 14.9916 15.0337 15.0337 15.8255 15.8255 k = 0.1082 0.0625 0.1766 ( 3483 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.8938 2.8938 3.7249 3.7249 3.7276 3.7276 4.0161 4.0161 4.0237 4.0237 4.0563 4.0563 5.1279 5.1279 5.2260 5.2260 5.4928 5.4928 5.5900 5.5900 5.6525 5.6525 6.5359 6.5359 6.5951 6.5951 6.8502 6.8502 6.9767 6.9767 7.1048 7.1048 12.0394 12.0394 12.2758 12.2758 14.6308 14.6308 14.9183 14.9183 15.1432 15.1432 15.8932 15.8932 k = 0.1010 0.0583 0.1649 ( 3487 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.8491 2.8491 3.7243 3.7243 3.7270 3.7270 4.0150 4.0150 4.0220 4.0220 4.0582 4.0582 5.1238 5.1238 5.2109 5.2109 5.4771 5.4771 5.5878 5.5878 5.6427 5.6427 6.5496 6.5496 6.6020 6.6020 6.8625 6.8625 7.0013 7.0013 7.1170 7.1170 12.2066 12.2066 12.4369 12.4369 14.5939 14.5939 14.8491 14.8491 15.2466 15.2466 15.9663 15.9663 k = 0.0938 0.0541 0.1531 ( 3499 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.8072 2.8072 3.7237 3.7237 3.7264 3.7264 4.0140 4.0140 4.0203 4.0203 4.0601 4.0601 5.1200 5.1200 5.1964 5.1964 5.4626 5.4626 5.5859 5.5859 5.6335 5.6335 6.5627 6.5627 6.6086 6.6086 6.8740 6.8740 7.0253 7.0253 7.1282 7.1282 12.3757 12.3757 12.5996 12.5996 14.5552 14.5552 14.7845 14.7845 15.3420 15.3420 16.0412 16.0412 k = 0.0865 0.0500 0.1413 ( 3489 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.7682 2.7682 3.7233 3.7233 3.7258 3.7258 4.0132 4.0132 4.0187 4.0187 4.0619 4.0619 5.1164 5.1164 5.1825 5.1825 5.4495 5.4495 5.5841 5.5841 5.6249 5.6249 6.5751 6.5751 6.6148 6.6148 6.8847 6.8847 7.0485 7.0485 7.1386 7.1386 12.5463 12.5463 12.7638 12.7638 14.5163 14.5163 14.7246 14.7246 15.4280 15.4280 16.1137 16.1137 k = 0.0793 0.0458 0.1295 ( 3489 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.7320 2.7320 3.7229 3.7229 3.7252 3.7252 4.0125 4.0125 4.0173 4.0173 4.0637 4.0637 5.1129 5.1129 5.1694 5.1694 5.4377 5.4377 5.5825 5.5825 5.6170 5.6170 6.5868 6.5868 6.6205 6.6205 6.8946 6.8946 7.0703 7.0703 7.1480 7.1480 12.7176 12.7176 12.9292 12.9292 14.4781 14.4781 14.6696 14.6696 15.5032 15.5032 16.1762 16.1762 k = 0.0721 0.0416 0.1178 ( 3481 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.6989 2.6989 3.7226 3.7226 3.7247 3.7247 4.0119 4.0119 4.0159 4.0159 4.0655 4.0655 5.1098 5.1098 5.1570 5.1570 5.4272 5.4272 5.5810 5.5810 5.6097 5.6097 6.5975 6.5975 6.6257 6.6257 6.9037 6.9037 7.0911 7.0911 7.1565 7.1565 12.8888 12.8888 13.0956 13.0956 14.4417 14.4417 14.6197 14.6197 15.5668 15.5668 16.2109 16.2109 k = 0.0649 0.0375 0.1060 ( 3481 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.6687 2.6687 3.7223 3.7223 3.7241 3.7241 4.0113 4.0113 4.0147 4.0147 4.0671 4.0671 5.1067 5.1067 5.1455 5.1455 5.4179 5.4179 5.5798 5.5798 5.6031 5.6031 6.6074 6.6074 6.6305 6.6305 6.9121 6.9121 7.1101 7.1101 7.1641 7.1641 13.0587 13.0587 13.2625 13.2625 14.4079 14.4079 14.5750 14.5750 15.6189 15.6189 16.2026 16.2026 k = 0.0577 0.0333 0.0942 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.6417 2.6417 3.7221 3.7221 3.7236 3.7236 4.0109 4.0109 4.0136 4.0136 4.0686 4.0686 5.1039 5.1039 5.1349 5.1349 5.4098 5.4098 5.5786 5.5786 5.5972 5.5972 6.6163 6.6163 6.6348 6.6348 6.9197 6.9197 7.1275 7.1275 7.1709 7.1709 13.2259 13.2259 13.4295 13.4295 14.3774 14.3774 14.5355 14.5355 15.6600 15.6600 16.1719 16.1719 k = 0.0505 0.0291 0.0824 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.6177 2.6177 3.7219 3.7219 3.7230 3.7230 4.0105 4.0105 4.0126 4.0126 4.0700 4.0700 5.1013 5.1013 5.1253 5.1253 5.4028 5.4028 5.5777 5.5777 5.5919 5.5919 6.6243 6.6243 6.6386 6.6386 6.9264 6.9264 7.1430 7.1430 7.1768 7.1768 13.3881 13.3881 13.5955 13.5955 14.3513 14.3513 14.5013 14.5013 15.6915 15.6915 16.1315 16.1315 k = 0.0433 0.0250 0.0707 ( 3487 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5969 2.5969 3.7217 3.7217 3.7226 3.7226 4.0101 4.0101 4.0117 4.0117 4.0711 4.0711 5.0990 5.0990 5.1168 5.1168 5.3969 5.3969 5.5768 5.5768 5.5873 5.5873 6.6313 6.6313 6.6419 6.6419 6.9323 6.9323 7.1567 7.1567 7.1819 7.1819 13.5426 13.5426 13.7589 13.7589 14.3307 14.3307 14.4726 14.4726 15.7150 15.7150 16.0833 16.0833 k = 0.0361 0.0208 0.0589 ( 3487 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5792 2.5792 3.7215 3.7215 3.7222 3.7222 4.0099 4.0099 4.0110 4.0110 4.0722 4.0722 5.0970 5.0970 5.1094 5.1094 5.3921 5.3921 5.5762 5.5762 5.5834 5.5834 6.6373 6.6373 6.6447 6.6447 6.9374 6.9374 7.1685 7.1685 7.1862 7.1862 13.6852 13.6852 13.9169 13.9169 14.3174 14.3174 14.4499 14.4499 15.7318 15.7318 16.0273 16.0273 k = 0.0288 0.0167 0.0471 ( 3483 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5647 2.5647 3.7214 3.7214 3.7218 3.7218 4.0097 4.0097 4.0104 4.0104 4.0731 4.0731 5.0953 5.0953 5.1033 5.1033 5.3882 5.3882 5.5756 5.5756 5.5803 5.5803 6.6423 6.6423 6.6470 6.6470 6.9416 6.9416 7.1782 7.1782 7.1897 7.1897 13.8098 13.8098 14.0647 14.0647 14.3140 14.3140 14.4340 14.4340 15.7431 15.7431 15.9642 15.9642 k = 0.0216 0.0125 0.0353 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5535 2.5535 3.7213 3.7213 3.7216 3.7216 4.0095 4.0095 4.0099 4.0099 4.0738 4.0738 5.0940 5.0940 5.0985 5.0985 5.3852 5.3852 5.5752 5.5752 5.5778 5.5778 6.6462 6.6462 6.6488 6.6488 6.9449 6.9449 7.1859 7.1859 7.1924 7.1924 13.9088 13.9088 14.1921 14.1921 14.3251 14.3251 14.4264 14.4264 15.7489 15.7489 15.8976 15.8976 k = 0.0144 0.0083 0.0236 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5454 2.5454 3.7212 3.7212 3.7214 3.7214 4.0094 4.0094 4.0096 4.0096 4.0743 4.0743 5.0931 5.0931 5.0951 5.0951 5.3832 5.3832 5.5749 5.5749 5.5760 5.5760 6.6489 6.6489 6.6501 6.6501 6.9473 6.9473 7.1914 7.1914 7.1943 7.1943 13.9763 13.9763 14.2744 14.2744 14.3635 14.3635 14.4285 14.4285 15.7469 15.7469 15.8375 15.8375 k = 0.0072 0.0042 0.0118 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5406 2.5406 3.7212 3.7212 3.7212 3.7212 4.0094 4.0094 4.0094 4.0094 4.0746 4.0746 5.0925 5.0925 5.0930 5.0930 5.3819 5.3819 5.5747 5.5747 5.5750 5.5750 6.6506 6.6506 6.6509 6.6509 6.9487 6.9487 7.1947 7.1947 7.1955 7.1955 14.0129 14.0129 14.3026 14.3026 14.4188 14.4188 14.4373 14.4373 15.7320 15.7320 15.8021 15.8021 k = 0.0000 0.0000 0.0000 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5389 2.5389 3.7212 3.7212 3.7212 3.7212 4.0093 4.0093 4.0093 4.0093 4.0747 4.0747 5.0923 5.0923 5.0923 5.0923 5.3815 5.3815 5.5746 5.5746 5.5746 5.5746 6.6511 6.6511 6.6511 6.6511 6.9492 6.9492 7.1958 7.1958 7.1958 7.1958 14.0240 14.0240 14.3089 14.3089 14.4424 14.4424 14.4424 14.4424 15.7205 15.7205 15.7937 15.7937 k = 0.0000 0.0000 0.0000 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5389 2.5389 3.7212 3.7212 3.7212 3.7212 4.0093 4.0093 4.0093 4.0093 4.0747 4.0747 5.0923 5.0923 5.0923 5.0923 5.3815 5.3815 5.5746 5.5746 5.5746 5.5746 6.6511 6.6511 6.6511 6.6511 6.9492 6.9492 7.1958 7.1958 7.1958 7.1958 14.0240 14.0240 14.3089 14.3089 14.4424 14.4424 14.4424 14.4424 15.7205 15.7205 15.7937 15.7937 k = 0.0116 0.0067 0.0047 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5405 2.5405 3.7212 3.7212 3.7212 3.7212 4.0094 4.0094 4.0094 4.0094 4.0746 4.0746 5.0926 5.0926 5.0929 5.0929 5.3819 5.3819 5.5748 5.5748 5.5748 5.5748 6.6506 6.6506 6.6509 6.6509 6.9487 6.9487 7.1950 7.1950 7.1952 7.1952 14.0130 14.0130 14.3026 14.3026 14.4191 14.4191 14.4380 14.4380 15.7317 15.7317 15.7997 15.7997 k = 0.0233 0.0134 0.0095 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5452 2.5452 3.7213 3.7213 3.7213 3.7213 4.0095 4.0095 4.0095 4.0095 4.0743 4.0743 5.0936 5.0936 5.0945 5.0945 5.3831 5.3831 5.5754 5.5754 5.5755 5.5755 6.6490 6.6490 6.6501 6.6501 6.9473 6.9473 7.1927 7.1927 7.1932 7.1932 13.9749 13.9749 14.2743 14.2743 14.3734 14.3734 14.4253 14.4253 15.7522 15.7522 15.8175 15.8175 k = 0.0349 0.0201 0.0142 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5531 2.5531 3.7214 3.7214 3.7214 3.7214 4.0097 4.0097 4.0098 4.0098 4.0739 4.0739 5.0952 5.0952 5.0972 5.0972 5.3851 5.3851 5.5763 5.5763 5.5767 5.5767 6.6464 6.6464 6.6488 6.6488 6.9450 6.9450 7.1887 7.1887 7.1899 7.1899 13.8956 13.8956 14.2162 14.2162 14.3470 14.3470 14.4048 14.4048 15.7751 15.7751 15.8459 15.8459 k = 0.0465 0.0269 0.0190 ( 3485 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5641 2.5641 3.7216 3.7216 3.7216 3.7216 4.0100 4.0100 4.0101 4.0101 4.0731 4.0731 5.0974 5.0974 5.1010 5.1010 5.3879 5.3879 5.5775 5.5775 5.5782 5.5782 6.6426 6.6426 6.6470 6.6470 6.9418 6.9418 7.1831 7.1831 7.1853 7.1853 13.7660 13.7660 14.1589 14.1589 14.3357 14.3357 14.3778 14.3778 15.8014 15.8014 15.8833 15.8833 k = 0.0581 0.0336 0.0237 ( 3485 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5782 2.5782 3.7218 3.7218 3.7218 3.7218 4.0103 4.0103 4.0105 4.0105 4.0723 4.0723 5.1002 5.1002 5.1059 5.1059 5.3915 5.3915 5.5792 5.5792 5.5803 5.5803 6.6379 6.6379 6.6447 6.6447 6.9377 6.9377 7.1760 7.1760 7.1795 7.1795 13.5971 13.5971 14.1142 14.1142 14.3290 14.3290 14.3455 14.3455 15.8306 15.8306 15.9277 15.9277 k = 0.0698 0.0403 0.0285 ( 3485 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.5954 2.5954 3.7221 3.7221 3.7221 3.7221 4.0108 4.0108 4.0110 4.0110 4.0713 4.0713 5.1036 5.1036 5.1118 5.1118 5.3960 5.3960 5.5812 5.5812 5.5828 5.5828 6.6322 6.6322 6.6418 6.6418 6.9327 6.9327 7.1674 7.1674 7.1724 7.1724 13.4054 13.4054 14.0766 14.0766 14.3090 14.3090 14.3238 14.3238 15.8606 15.8607 15.9764 15.9764 k = 0.0814 0.0470 0.0332 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.6157 2.6157 3.7224 3.7224 3.7225 3.7225 4.0114 4.0114 4.0116 4.0116 4.0701 4.0701 5.1074 5.1074 5.1187 5.1187 5.4013 5.4013 5.5836 5.5836 5.5858 5.5858 6.6255 6.6255 6.6385 6.6385 6.9268 6.9268 7.1573 7.1573 7.1640 7.1640 13.2010 13.2010 14.0414 14.0414 14.2695 14.2695 14.3194 14.3194 15.8888 15.8888 16.0260 16.0260 k = 0.0930 0.0537 0.0380 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.6391 2.6391 3.7228 3.7228 3.7229 3.7229 4.0121 4.0121 4.0123 4.0123 4.0688 4.0688 5.1117 5.1117 5.1267 5.1267 5.4075 5.4075 5.5864 5.5864 5.5893 5.5893 6.6179 6.6179 6.6346 6.6346 6.9202 6.9202 7.1458 7.1458 7.1545 7.1545 12.9896 12.9896 14.0069 14.0069 14.2281 14.2281 14.3156 14.3156 15.9116 15.9116 16.0724 16.0724 k = 0.1047 0.0604 0.0427 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.6655 2.6655 3.7232 3.7232 3.7233 3.7233 4.0129 4.0129 4.0131 4.0131 4.0673 4.0673 5.1162 5.1162 5.1356 5.1356 5.4144 5.4144 5.5896 5.5896 5.5933 5.5933 6.6094 6.6094 6.6303 6.6303 6.9126 6.9126 7.1327 7.1327 7.1436 7.1436 12.7743 12.7743 13.9723 13.9723 14.1854 14.1854 14.3120 14.3120 15.9254 15.9254 16.1101 16.1101 k = 0.1163 0.0671 0.0475 ( 3488 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.6948 2.6948 3.7236 3.7236 3.7237 3.7237 4.0138 4.0138 4.0139 4.0139 4.0657 4.0657 5.1211 5.1211 5.1455 5.1455 5.4222 5.4222 5.5932 5.5932 5.5979 5.5979 6.6000 6.6000 6.6255 6.6255 6.9043 6.9043 7.1182 7.1182 7.1316 7.1316 12.5572 12.5572 13.9376 13.9376 14.1423 14.1423 14.3087 14.3087 15.9276 15.9276 16.1331 16.1331 k = 0.1279 0.0738 0.0522 ( 3482 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2928 -31.2928 -31.2928 -31.2928 2.7272 2.7272 3.7240 3.7240 3.7243 3.7243 4.0149 4.0149 4.0149 4.0149 4.0641 4.0641 5.1263 5.1263 5.1563 5.1563 5.4309 5.4309 5.5972 5.5972 5.6029 5.6029 6.5899 6.5899 6.6202 6.6202 6.8952 6.8952 7.1024 7.1024 7.1185 7.1185 12.3395 12.3395 13.9031 13.9031 14.0993 14.0993 14.3056 14.3056 15.9167 15.9167 16.1369 16.1369 k = 0.1395 0.0806 0.0570 ( 3485 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.7624 2.7624 3.7245 3.7245 3.7249 3.7249 4.0160 4.0160 4.0162 4.0162 4.0624 4.0624 5.1316 5.1316 5.1680 5.1680 5.4405 5.4405 5.6015 5.6015 5.6086 5.6086 6.5791 6.5791 6.6144 6.6144 6.8853 6.8853 7.0853 7.0853 7.1043 7.1043 12.1221 12.1221 13.8688 13.8688 14.0568 14.0568 14.3025 14.3025 15.8930 15.8930 16.1204 16.1204 k = 0.1512 0.0873 0.0617 ( 3488 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.8005 2.8005 3.7250 3.7250 3.7256 3.7256 4.0171 4.0171 4.0176 4.0176 4.0607 4.0607 5.1371 5.1371 5.1805 5.1805 5.4510 5.4510 5.6063 5.6063 5.6148 5.6148 6.5676 6.5676 6.6082 6.6082 6.8746 6.8746 7.0668 7.0668 7.0889 7.0889 11.9055 11.9055 13.8351 13.8351 14.0153 14.0153 14.2994 14.2994 15.8581 15.8581 16.0862 16.0862 k = 0.1628 0.0940 0.0665 ( 3482 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.8413 2.8413 3.7255 3.7255 3.7264 3.7264 4.0184 4.0184 4.0192 4.0192 4.0589 4.0589 5.1426 5.1426 5.1938 5.1938 5.4623 5.4623 5.6116 5.6116 5.6217 5.6217 6.5556 6.5556 6.6016 6.6016 6.8633 6.8633 7.0472 7.0472 7.0727 7.0727 11.6903 11.6903 13.8021 13.8021 13.9749 13.9749 14.2963 14.2963 15.8140 15.8140 16.0384 16.0384 k = 0.1744 0.1007 0.0712 ( 3494 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.8849 2.8849 3.7260 3.7260 3.7272 3.7272 4.0197 4.0197 4.0209 4.0209 4.0571 4.0571 5.1480 5.1480 5.2078 5.2078 5.4745 5.4745 5.6172 5.6172 5.6292 5.6292 6.5432 6.5432 6.5945 6.5945 6.8512 6.8512 7.0264 7.0264 7.0553 7.0553 11.4768 11.4768 13.7702 13.7702 13.9360 13.9360 14.2932 14.2932 15.7628 15.7628 15.9809 15.9809 k = 0.1860 0.1074 0.0760 ( 3494 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.9311 2.9311 3.7265 3.7265 3.7282 3.7282 4.0211 4.0211 4.0228 4.0228 4.0553 4.0553 5.1533 5.1533 5.2226 5.2226 5.4876 5.4876 5.6232 5.6232 5.6373 5.6373 6.5304 6.5304 6.5870 6.5870 6.8384 6.8384 7.0046 7.0046 7.0372 7.0372 11.2652 11.2652 13.7394 13.7394 13.8986 13.8986 14.2900 14.2900 15.7063 15.7063 15.9169 15.9169 k = 0.1977 0.1141 0.0807 ( 3488 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 2.9798 2.9798 3.7270 3.7270 3.7293 3.7293 4.0227 4.0227 4.0249 4.0249 4.0536 4.0536 5.1584 5.1584 5.2381 5.2381 5.5014 5.5014 5.6297 5.6297 5.6463 5.6463 6.5173 6.5173 6.5791 6.5791 6.8250 6.8250 6.9818 6.9818 7.0182 7.0182 11.0558 11.0558 13.7099 13.7099 13.8630 13.8630 14.2868 14.2868 15.6460 15.6460 15.8485 15.8485 k = 0.2093 0.1208 0.0854 ( 3488 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.0308 3.0308 3.7275 3.7275 3.7306 3.7306 4.0243 4.0243 4.0272 4.0272 4.0520 4.0520 5.1632 5.1632 5.2541 5.2541 5.5161 5.5161 5.6365 5.6365 5.6559 5.6559 6.5042 6.5042 6.5708 6.5708 6.8108 6.8108 6.9582 6.9582 6.9985 6.9985 10.8489 10.8489 13.6819 13.6819 13.8293 13.8293 14.2834 14.2834 15.5830 15.5830 15.7774 15.7774 k = 0.2209 0.1276 0.0902 ( 3485 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.0841 3.0841 3.7280 3.7280 3.7321 3.7321 4.0259 4.0259 4.0297 4.0297 4.0505 4.0505 5.1679 5.1679 5.2708 5.2708 5.5315 5.5315 5.6437 5.6437 5.6663 5.6663 6.4910 6.4910 6.5621 6.5621 6.7960 6.7960 6.9339 6.9339 6.9782 6.9782 10.6446 10.6446 13.6554 13.6554 13.7976 13.7976 14.2800 14.2800 15.5182 15.5182 15.7047 15.7047 k = 0.2326 0.1343 0.0949 ( 3479 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.1395 3.1395 3.7285 3.7285 3.7339 3.7339 4.0277 4.0277 4.0322 4.0322 4.0492 4.0492 5.1720 5.1720 5.2879 5.2879 5.5476 5.5476 5.6513 5.6513 5.6775 5.6775 6.4780 6.4780 6.5532 6.5532 6.7805 6.7805 6.9088 6.9088 6.9571 6.9571 10.4430 10.4430 13.6305 13.6305 13.7679 13.7679 14.2765 14.2765 15.4525 15.4525 15.6313 15.6313 k = 0.2442 0.1410 0.0997 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.1966 3.1966 3.7290 3.7290 3.7361 3.7361 4.0295 4.0295 4.0348 4.0348 4.0483 4.0483 5.1757 5.1757 5.3054 5.3054 5.5643 5.5643 5.6593 5.6593 5.6896 5.6896 6.4653 6.4653 6.5439 6.5439 6.7643 6.7643 6.8831 6.8831 6.9355 6.9355 10.2443 10.2443 13.6073 13.6073 13.7402 13.7402 14.2730 14.2730 15.3863 15.3863 15.5578 15.5578 k = 0.2558 0.1477 0.1044 ( 3467 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.2552 3.2552 3.7295 3.7295 3.7388 3.7388 4.0313 4.0313 4.0370 4.0370 4.0481 4.0481 5.1789 5.1789 5.3233 5.3233 5.5815 5.5815 5.6677 5.6677 5.7027 5.7027 6.4530 6.4530 6.5344 6.5344 6.7474 6.7474 6.8571 6.8571 6.9134 6.9134 10.0487 10.0487 13.5858 13.5858 13.7147 13.7147 14.2693 14.2693 15.3203 15.3203 15.4847 15.4847 k = 0.2674 0.1544 0.1092 ( 3467 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.3149 3.3149 3.7299 3.7299 3.7422 3.7422 4.0332 4.0332 4.0383 4.0383 4.0491 4.0491 5.1815 5.1815 5.3414 5.3414 5.5993 5.5993 5.6764 5.6764 5.7167 5.7167 6.4412 6.4412 6.5246 6.5246 6.7297 6.7297 6.8309 6.8309 6.8909 6.8909 9.8563 9.8563 13.5660 13.5660 13.6912 13.6912 14.2657 14.2657 15.2549 15.2549 15.4124 15.4124 k = 0.2791 0.1611 0.1139 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.3752 3.3752 3.7303 3.7303 3.7466 3.7466 4.0352 4.0352 4.0387 4.0387 4.0516 4.0516 5.1835 5.1835 5.3597 5.3597 5.6176 5.6176 5.6855 5.6855 5.7317 5.7317 6.4300 6.4300 6.5148 6.5148 6.7111 6.7111 6.8048 6.8048 6.8681 6.8681 9.6671 9.6671 13.5479 13.5479 13.6699 13.6699 14.2620 14.2620 15.1904 15.1904 15.3414 15.3414 k = 0.2907 0.1678 0.1187 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.4350 3.4350 3.7307 3.7307 3.7526 3.7526 4.0371 4.0371 4.0384 4.0384 4.0554 4.0554 5.1849 5.1849 5.3782 5.3782 5.6362 5.6362 5.6948 5.6948 5.7477 5.7477 6.4197 6.4197 6.5046 6.5046 6.6914 6.6914 6.7791 6.7791 6.8451 6.8451 9.4815 9.4815 13.5315 13.5315 13.6506 13.6506 14.2583 14.2583 15.1272 15.1272 15.2719 15.2719 k = 0.3023 0.1745 0.1234 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.4931 3.4931 3.7311 3.7311 3.7611 3.7611 4.0379 4.0379 4.0390 4.0390 4.0602 4.0602 5.1855 5.1855 5.3967 5.3967 5.6553 5.6553 5.7044 5.7044 5.7647 5.7647 6.4103 6.4103 6.4944 6.4944 6.6704 6.6704 6.7542 6.7542 6.8220 6.8220 9.2996 9.2996 13.5168 13.5168 13.6334 13.6334 14.2547 14.2547 15.0655 15.0655 15.2042 15.2042 k = 0.3140 0.1813 0.1282 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.5474 3.5474 3.7314 3.7314 3.7737 3.7737 4.0374 4.0374 4.0409 4.0409 4.0661 4.0661 5.1854 5.1854 5.4151 5.4151 5.6748 5.6748 5.7143 5.7143 5.7827 5.7827 6.4018 6.4018 6.4841 6.4841 6.6480 6.6480 6.7306 6.7306 6.7989 6.7989 9.1214 9.1214 13.5037 13.5037 13.6182 13.6182 14.2510 14.2510 15.0056 15.0056 15.1385 15.1385 k = 0.3256 0.1880 0.1329 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.5948 3.5948 3.7317 3.7317 3.7927 3.7927 4.0370 4.0370 4.0428 4.0428 4.0733 4.0733 5.1846 5.1846 5.4333 5.4333 5.6947 5.6947 5.7243 5.7243 5.8017 5.8017 6.3944 6.3944 6.4738 6.4738 6.6239 6.6239 6.7087 6.7087 6.7759 6.7759 8.9472 8.9472 13.4923 13.4923 13.6049 13.6049 14.2475 14.2475 14.9478 14.9478 15.0751 15.0751 k = 0.3372 0.1947 0.1377 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6320 3.6320 3.7320 3.7320 3.8202 3.8202 4.0368 4.0368 4.0446 4.0446 4.0824 4.0824 5.1829 5.1829 5.4513 5.4513 5.7151 5.7151 5.7344 5.7344 5.8215 5.8215 6.3880 6.3880 6.4637 6.4637 6.5982 6.5982 6.6890 6.6890 6.7531 6.7531 8.7772 8.7772 13.4824 13.4824 13.5936 13.5936 14.2440 14.2440 14.8923 14.8923 15.0143 15.0143 k = 0.3488 0.2014 0.1424 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6582 3.6582 3.7323 3.7323 3.8556 3.8556 4.0370 4.0370 4.0464 4.0464 4.0947 4.0947 5.1804 5.1804 5.4689 5.4689 5.7362 5.7362 5.7446 5.7446 5.8420 5.8420 6.3824 6.3824 6.4538 6.4538 6.5709 6.5709 6.6719 6.6719 6.7305 6.7305 8.6116 8.6116 13.4739 13.4739 13.5840 13.5840 14.2407 14.2407 14.8393 14.8393 14.9561 14.9561 k = 0.3605 0.2081 0.1472 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6753 3.6753 3.7325 3.7325 3.8944 3.8944 4.0375 4.0375 4.0481 4.0481 4.1118 4.1118 5.1772 5.1772 5.4860 5.4860 5.7549 5.7549 5.7580 5.7580 5.8632 5.8632 6.3776 6.3776 6.4442 6.4442 6.5425 6.5425 6.6576 6.6576 6.7086 6.7086 8.4507 8.4507 13.4669 13.4669 13.5761 13.5761 14.2375 14.2375 14.7891 14.7891 14.9010 14.9010 k = 0.3721 0.2148 0.1519 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6865 3.6865 3.7327 3.7327 3.9305 3.9305 4.0386 4.0386 4.0497 4.0497 4.1361 4.1361 5.1730 5.1730 5.5024 5.5024 5.7649 5.7649 5.7805 5.7805 5.8849 5.8849 6.3729 6.3729 6.4349 6.4349 6.5130 6.5130 6.6468 6.6468 6.6873 6.6873 8.2948 8.2948 13.4611 13.4611 13.5697 13.5697 14.2345 14.2345 14.7418 14.7418 14.8489 14.8489 k = 0.3837 0.2215 0.1567 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6940 3.6940 3.7329 3.7329 3.9592 3.9592 4.0402 4.0402 4.0512 4.0512 4.1692 4.1692 5.1681 5.1681 5.5181 5.5181 5.7747 5.7747 5.8040 5.8040 5.9068 5.9068 6.3680 6.3680 6.4260 6.4260 6.4829 6.4829 6.6400 6.6400 6.6668 6.6668 8.1440 8.1440 13.4565 13.4565 13.5648 13.5648 14.2316 14.2316 14.6977 14.6977 14.8003 14.8003 k = 0.3953 0.2283 0.1614 ( 3471 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6994 3.6994 3.7330 3.7330 3.9791 3.9791 4.0426 4.0426 4.0527 4.0527 4.2104 4.2104 5.1624 5.1624 5.5328 5.5328 5.7842 5.7842 5.8285 5.8285 5.9288 5.9288 6.3623 6.3623 6.4176 6.4176 6.4523 6.4523 6.6381 6.6381 6.6473 6.6473 7.9989 7.9989 13.4530 13.4530 13.5611 13.5611 14.2290 14.2290 14.6569 14.6569 14.7553 14.7553 k = 0.4070 0.2350 0.1661 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7034 3.7034 3.7331 3.7331 3.9919 3.9919 4.0453 4.0453 4.0540 4.0540 4.2567 4.2567 5.1560 5.1560 5.5466 5.5466 5.7932 5.7932 5.8541 5.8541 5.9508 5.9508 6.3550 6.3550 6.4099 6.4099 6.4218 6.4218 6.6290 6.6290 6.6420 6.6420 7.8599 7.8599 13.4503 13.4503 13.5586 13.5586 14.2266 14.2266 14.6197 14.6197 14.7141 14.7141 k = 0.4186 0.2417 0.1709 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7064 3.7064 3.7333 3.7333 3.9996 3.9996 4.0484 4.0484 4.0552 4.0552 4.3047 4.3047 5.1491 5.1491 5.5591 5.5591 5.8016 5.8016 5.8807 5.8807 5.9724 5.9724 6.3454 6.3454 6.3923 6.3923 6.4029 6.4029 6.6121 6.6121 6.6523 6.6523 7.7273 7.7273 13.4485 13.4485 13.5570 13.5570 14.2244 14.2244 14.5863 14.5863 14.6771 14.6771 k = 0.4302 0.2484 0.1756 ( 3480 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7086 3.7086 3.7334 3.7334 4.0044 4.0044 4.0513 4.0513 4.0562 4.0562 4.3516 4.3516 5.1418 5.1418 5.5704 5.5704 5.8093 5.8093 5.9082 5.9082 5.9932 5.9932 6.3315 6.3315 6.3655 6.3655 6.3966 6.3966 6.5968 6.5968 6.6695 6.6695 7.6018 7.6018 13.4473 13.4473 13.5562 13.5562 14.2224 14.2224 14.5568 14.5568 14.6443 14.6443 k = 0.4419 0.2551 0.1804 ( 3468 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7105 3.7105 3.7335 3.7335 4.0073 4.0073 4.0539 4.0539 4.0572 4.0572 4.3952 4.3952 5.1346 5.1346 5.5802 5.5802 5.8161 5.8161 5.9364 5.9364 6.0130 6.0130 6.3108 6.3108 6.3450 6.3450 6.3913 6.3913 6.5834 6.5834 6.6939 6.6939 7.4843 7.4843 13.4466 13.4466 13.5559 13.5559 14.2208 14.2208 14.5316 14.5316 14.6162 14.6162 k = 0.4535 0.2618 0.1851 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7119 3.7119 3.7335 3.7335 4.0092 4.0092 4.0561 4.0561 4.0579 4.0579 4.4337 4.4337 5.1276 5.1276 5.5884 5.5884 5.8219 5.8219 5.9646 5.9646 6.0311 6.0311 6.2847 6.2847 6.3302 6.3302 6.3869 6.3869 6.5720 6.5720 6.7253 6.7253 7.3755 7.3755 13.4463 13.4463 13.5560 13.5560 14.2194 14.2194 14.5106 14.5106 14.5928 14.5928 k = 0.4651 0.2685 0.1899 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7129 3.7129 3.7336 3.7336 4.0104 4.0104 4.0579 4.0579 4.0585 4.0585 4.4656 4.4656 5.1213 5.1213 5.5949 5.5949 5.8266 5.8266 5.9918 5.9918 6.0469 6.0469 6.2574 6.2574 6.3186 6.3186 6.3835 6.3835 6.5629 6.5629 6.7627 6.7627 7.2770 7.2770 13.4461 13.4461 13.5562 13.5562 14.2183 14.2183 14.4941 14.4941 14.5743 14.5743 k = 0.4767 0.2752 0.1946 ( 3456 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7136 3.7136 3.7336 3.7336 4.0111 4.0111 4.0589 4.0589 4.0591 4.0591 4.4894 4.4894 5.1163 5.1163 5.5997 5.5997 5.8301 5.8301 6.0160 6.0160 6.0598 6.0598 6.2324 6.2324 6.3097 6.3097 6.3810 6.3810 6.5563 6.5563 6.8035 6.8035 7.1921 7.1921 13.4461 13.4461 13.5565 13.5565 14.2175 14.2175 14.4823 14.4823 14.5611 14.5611 k = 0.4884 0.2820 0.1994 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.7140 3.7140 3.7337 3.7337 4.0115 4.0115 4.0592 4.0592 4.0599 4.0599 4.5042 4.5042 5.1130 5.1130 5.6026 5.6026 5.8322 5.8322 6.0336 6.0336 6.0688 6.0688 6.2136 6.2136 6.3039 6.3039 6.3796 6.3796 6.5523 6.5523 6.8407 6.8407 7.1282 7.1282 13.4462 13.4462 13.5568 13.5568 14.2171 14.2171 14.4751 14.4751 14.5531 14.5531 k = 0.5000 0.2887 0.2041 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.7142 3.7142 3.7337 3.7337 4.0116 4.0116 4.0593 4.0593 4.0602 4.0602 4.5092 4.5092 5.1119 5.1119 5.6035 5.6035 5.8329 5.8329 6.0402 6.0402 6.0722 6.0722 6.2062 6.2062 6.3019 6.3019 6.3791 6.3791 6.5509 6.5509 6.8577 6.8577 7.1023 7.1023 13.4462 13.4462 13.5569 13.5569 14.2169 14.2169 14.4728 14.4728 14.5504 14.5504 k = 0.5000 0.2887 0.2041 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.7142 3.7142 3.7337 3.7337 4.0116 4.0116 4.0593 4.0593 4.0602 4.0602 4.5092 4.5092 5.1119 5.1119 5.6035 5.6035 5.8329 5.8329 6.0402 6.0402 6.0722 6.0722 6.2062 6.2062 6.3019 6.3019 6.3791 6.3791 6.5509 6.5509 6.8577 6.8577 7.1023 7.1023 13.4462 13.4462 13.5569 13.5569 14.2169 14.2169 14.4728 14.4728 14.5504 14.5504 k = 0.5042 0.2766 0.2109 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.7141 3.7141 3.7336 3.7336 4.0115 4.0115 4.0592 4.0592 4.0602 4.0602 4.5098 4.5098 5.1133 5.1133 5.6036 5.6036 5.8320 5.8320 6.0407 6.0407 6.0721 6.0721 6.2047 6.2047 6.3010 6.3010 6.3815 6.3815 6.5510 6.5510 6.8595 6.8595 7.1028 7.1028 13.4121 13.4121 13.5203 13.5203 14.2484 14.2484 14.4863 14.4863 14.5607 14.5607 k = 0.5083 0.2646 0.2177 ( 3455 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7140 3.7140 3.7335 3.7335 4.0109 4.0109 4.0586 4.0586 4.0603 4.0603 4.5115 4.5115 5.1174 5.1174 5.6039 5.6039 5.8292 5.8292 6.0420 6.0420 6.0717 6.0717 6.2001 6.2001 6.2986 6.2986 6.3880 6.3880 6.5511 6.5511 6.8648 6.8648 7.1042 7.1042 13.3074 13.3074 13.4439 13.4439 14.2957 14.2957 14.5329 14.5329 14.6045 14.6045 k = 0.5125 0.2526 0.2245 ( 3461 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7138 3.7138 3.7332 3.7332 4.0101 4.0101 4.0576 4.0576 4.0606 4.0606 4.5143 4.5143 5.1242 5.1242 5.6045 5.6045 5.8247 5.8247 6.0441 6.0441 6.0712 6.0712 6.1930 6.1930 6.2956 6.2956 6.3976 6.3976 6.5514 6.5514 6.8737 6.8737 7.1066 7.1066 13.1516 13.1516 13.3548 13.3548 14.2942 14.2942 14.6334 14.6334 14.6857 14.6857 k = 0.5167 0.2406 0.2313 ( 3465 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7136 3.7136 3.7329 3.7329 4.0090 4.0090 4.0563 4.0563 4.0611 4.0611 4.5183 4.5183 5.1335 5.1335 5.6052 5.6052 5.8188 5.8188 6.0465 6.0465 6.0707 6.0707 6.1841 6.1841 6.2926 6.2926 6.4092 6.4092 6.5520 6.5520 6.8858 6.8858 7.1101 7.1101 12.9710 12.9710 13.2554 13.2554 14.2532 14.2532 14.7672 14.7672 14.7936 14.7936 k = 0.5208 0.2285 0.2381 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7132 3.7132 3.7325 3.7325 4.0075 4.0075 4.0546 4.0546 4.0618 4.0618 4.5234 4.5234 5.1451 5.1451 5.6062 5.6062 5.8113 5.8113 6.0488 6.0488 6.0703 6.0703 6.1741 6.1741 6.2898 6.2898 6.4220 6.4220 6.5529 6.5529 6.9011 6.9011 7.1145 7.1145 12.7786 12.7786 13.1482 13.1482 14.1956 14.1956 14.9015 14.9015 14.9284 14.9284 k = 0.5250 0.2165 0.2449 ( 3472 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7128 3.7128 3.7320 3.7320 4.0057 4.0057 4.0527 4.0527 4.0627 4.0627 4.5296 4.5296 5.1590 5.1590 5.6074 5.6074 5.8029 5.8029 6.0502 6.0502 6.0707 6.0707 6.1638 6.1638 6.2875 6.2875 6.4354 6.4354 6.5543 6.5543 6.9192 6.9192 7.1202 7.1202 12.5801 12.5801 13.0361 13.0361 14.1316 14.1316 15.0338 15.0338 15.0788 15.0788 k = 0.5292 0.2045 0.2518 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7123 3.7123 3.7314 3.7314 4.0036 4.0036 4.0507 4.0507 4.0638 4.0638 4.5368 4.5368 5.1747 5.1747 5.6089 5.6089 5.7934 5.7934 6.0495 6.0495 6.0724 6.0724 6.1539 6.1539 6.2858 6.2858 6.4492 6.4492 6.5561 6.5561 6.9398 6.9398 7.1272 7.1272 12.3785 12.3785 12.9212 12.9212 14.0655 14.0655 15.1710 15.1710 15.2318 15.2318 k = 0.5333 0.1925 0.2586 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7117 3.7117 3.7308 3.7308 4.0012 4.0012 4.0484 4.0484 4.0651 4.0651 4.5450 4.5450 5.1920 5.1920 5.6106 5.6106 5.7832 5.7832 6.0463 6.0463 6.0754 6.0754 6.1452 6.1452 6.2847 6.2847 6.4630 6.4630 6.5586 6.5586 6.9625 6.9625 7.1358 7.1358 12.1755 12.1755 12.8052 12.8052 13.9994 13.9994 15.3129 15.3129 15.3853 15.3853 k = 0.5375 0.1804 0.2654 ( 3472 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7110 3.7110 3.7301 3.7301 3.9987 3.9987 4.0461 4.0461 4.0666 4.0666 4.5541 4.5541 5.2105 5.2105 5.6125 5.6125 5.7724 5.7724 6.0403 6.0403 6.0794 6.0794 6.1383 6.1383 6.2845 6.2845 6.4767 6.4767 6.5617 6.5617 6.9868 6.9868 7.1462 7.1462 11.9722 11.9722 12.6889 12.6889 13.9345 13.9345 15.4585 15.4585 15.5392 15.5392 k = 0.5417 0.1684 0.2722 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7102 3.7102 3.7293 3.7293 3.9959 3.9959 4.0437 4.0437 4.0683 4.0683 4.5641 4.5641 5.2300 5.2300 5.6147 5.6147 5.7613 5.7613 6.0319 6.0319 6.0839 6.0839 6.1333 6.1333 6.2855 6.2855 6.4902 6.4902 6.5654 6.5654 7.0120 7.0120 7.1592 7.1592 11.7693 11.7693 12.5731 12.5731 13.8715 13.8715 15.6072 15.6072 15.6938 15.6938 k = 0.5458 0.1564 0.2790 ( 3466 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7093 3.7093 3.7285 3.7285 3.9931 3.9931 4.0412 4.0412 4.0702 4.0702 4.5750 4.5750 5.2500 5.2500 5.6173 5.6173 5.7499 5.7499 6.0214 6.0214 6.0886 6.0886 6.1304 6.1304 6.2878 6.2878 6.5034 6.5034 6.5700 6.5700 7.0371 7.0371 7.1755 7.1755 11.5676 11.5676 12.4584 12.4584 13.8108 13.8108 15.7585 15.7585 15.8496 15.8496 k = 0.5500 0.1443 0.2858 ( 3466 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7082 3.7082 3.7277 3.7277 3.9903 3.9903 4.0386 4.0386 4.0722 4.0722 4.5865 4.5865 5.2701 5.2701 5.6201 5.6201 5.7384 5.7384 6.0090 6.0090 6.0930 6.0930 6.1297 6.1297 6.2917 6.2917 6.5163 6.5163 6.5752 6.5752 7.0614 7.0614 7.1958 7.1958 11.3675 11.3675 12.3451 12.3451 13.7526 13.7526 15.9120 15.9120 16.0067 16.0067 k = 0.5542 0.1323 0.2926 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7071 3.7071 3.7269 3.7269 3.9874 3.9874 4.0360 4.0360 4.0745 4.0745 4.5986 4.5986 5.2899 5.2899 5.6232 5.6232 5.7269 5.7269 5.9954 5.9954 6.0964 6.0964 6.1315 6.1315 6.2974 6.2974 6.5288 6.5288 6.5813 6.5813 7.0840 7.0840 7.2208 7.2208 11.1694 11.1694 12.2335 12.2335 13.6970 13.6970 16.0675 16.0675 16.1654 16.1654 k = 0.5583 0.1203 0.2994 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.7058 3.7058 3.7260 3.7260 3.9846 3.9846 4.0333 4.0333 4.0768 4.0768 4.6112 4.6112 5.3092 5.3092 5.6267 5.6267 5.7155 5.7155 5.9808 5.9808 6.0979 6.0979 6.1365 6.1365 6.3047 6.3047 6.5408 6.5408 6.5882 6.5882 7.1047 7.1047 7.2507 7.2507 10.9736 10.9736 12.1240 12.1240 13.6441 13.6441 16.2249 16.2249 16.3258 16.3258 k = 0.5625 0.1083 0.3062 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.7045 3.7045 3.7250 3.7250 3.9819 3.9819 4.0306 4.0306 4.0793 4.0793 4.6242 4.6242 5.3275 5.3275 5.6306 5.6306 5.7043 5.7043 5.9654 5.9654 6.0974 6.0974 6.1448 6.1448 6.3138 6.3138 6.5524 6.5524 6.5961 6.5961 7.1240 7.1240 7.2852 7.2852 10.7805 10.7805 12.0167 12.0167 13.5938 13.5938 16.3841 16.3841 16.4878 16.4878 k = 0.5667 0.0962 0.3130 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.7031 3.7031 3.7241 3.7241 3.9794 3.9794 4.0279 4.0279 4.0820 4.0820 4.6374 4.6374 5.3445 5.3445 5.6347 5.6347 5.6935 5.6935 5.9496 5.9496 6.0955 6.0955 6.1559 6.1559 6.3244 6.3244 6.5634 6.5634 6.6050 6.6050 7.1426 7.1426 7.3237 7.3237 10.5904 10.5904 11.9120 11.9120 13.5463 13.5463 16.5449 16.5449 16.6510 16.6510 k = 0.5708 0.0842 0.3198 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.7017 3.7017 3.7232 3.7232 3.9770 3.9770 4.0251 4.0251 4.0847 4.0847 4.6508 4.6508 5.3600 5.3600 5.6390 5.6390 5.6832 5.6832 5.9335 5.9335 6.0926 6.0926 6.1692 6.1692 6.3362 6.3362 6.5737 6.5737 6.6150 6.6150 7.1612 7.1612 7.3654 7.3654 10.4037 10.4037 11.8098 11.8098 13.5013 13.5013 16.7068 16.7068 16.8147 16.8147 k = 0.5750 0.0722 0.3266 ( 3468 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.7003 3.7003 3.7222 3.7222 3.9748 3.9748 4.0223 4.0223 4.0875 4.0875 4.6642 4.6642 5.3739 5.3739 5.6428 5.6428 5.6741 5.6741 5.9172 5.9172 6.0892 6.0892 6.1844 6.1844 6.3491 6.3491 6.5834 6.5834 6.6260 6.6260 7.1806 7.1806 7.4097 7.4097 10.2206 10.2206 11.7104 11.7104 13.4589 13.4589 16.8690 16.8690 16.9774 16.9774 k = 0.5792 0.0601 0.3334 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6988 3.6988 3.7212 3.7212 3.9729 3.9729 4.0195 4.0195 4.0904 4.0904 4.6773 4.6773 5.3860 5.3860 5.6443 5.6443 5.6677 5.6677 5.9009 5.9009 6.0857 6.0857 6.2011 6.2011 6.3626 6.3626 6.5924 6.5924 6.6381 6.6381 7.2014 7.2014 7.4562 7.4562 10.0417 10.0417 11.6140 11.6140 13.4190 13.4190 17.0285 17.0285 17.1345 17.1345 k = 0.5833 0.0481 0.3402 ( 3454 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6975 3.6975 3.7202 3.7202 3.9711 3.9711 4.0168 4.0168 4.0933 4.0933 4.6902 4.6902 5.3964 5.3964 5.6407 5.6407 5.6669 5.6669 5.8846 5.8846 6.0823 6.0823 6.2190 6.2190 6.3765 6.3765 6.6010 6.6010 6.6509 6.6509 7.2244 7.2244 7.5043 7.5043 9.8674 9.8674 11.5208 11.5208 13.3816 13.3816 17.1671 17.1671 17.2730 17.2730 k = 0.5875 0.0361 0.3470 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6961 3.6961 3.7191 3.7191 3.9695 3.9695 4.0140 4.0140 4.0963 4.0963 4.7026 4.7026 5.4051 5.4051 5.6329 5.6329 5.6707 5.6707 5.8686 5.8686 6.0792 6.0792 6.2374 6.2374 6.3904 6.3904 6.6092 6.6092 6.6643 6.6643 7.2499 7.2499 7.5536 7.5536 9.6983 9.6983 11.4307 11.4307 13.3465 13.3465 17.1861 17.1861 17.4058 17.4058 k = 0.5917 0.0241 0.3538 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6948 3.6948 3.7181 3.7181 3.9682 3.9682 4.0113 4.0113 4.0992 4.0992 4.7143 4.7143 5.4119 5.4119 5.6236 5.6236 5.6764 5.6764 5.8529 5.8529 6.0767 6.0767 6.2560 6.2560 6.4041 6.4041 6.6171 6.6171 6.6780 6.6780 7.2785 7.2785 7.6035 7.6035 9.5353 9.5353 11.3442 11.3442 13.3136 13.3136 17.0785 17.0785 17.5627 17.5627 k = 0.5958 0.0120 0.3606 ( 3468 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6936 3.6936 3.7170 3.7170 3.9669 3.9669 4.0087 4.0087 4.1021 4.1021 4.7252 4.7252 5.4168 5.4168 5.6138 5.6138 5.6829 5.6829 5.8378 5.8378 6.0748 6.0748 6.2744 6.2744 6.4172 6.4172 6.6250 6.6250 6.6917 6.6917 7.3105 7.3105 7.6533 7.6533 9.3793 9.3793 11.2611 11.2611 13.2830 13.2830 16.9380 16.9380 17.7260 17.7260 k = 0.6000-0.0000 0.3674 ( 3466 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6925 3.6925 3.7159 3.7159 3.9659 3.9659 4.0061 4.0061 4.1050 4.1050 4.7353 4.7353 5.4197 5.4197 5.6043 5.6043 5.6899 5.6899 5.8236 5.8236 6.0736 6.0736 6.2921 6.2921 6.4296 6.4296 6.6329 6.6329 6.7053 6.7053 7.3459 7.3459 7.7022 7.7022 9.2319 9.2319 11.1819 11.1819 13.2545 13.2545 16.7901 16.7901 17.8892 17.8892 k = 0.6042-0.0120 0.3742 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6915 3.6915 3.7148 3.7148 3.9650 3.9650 4.0036 4.0036 4.1078 4.1078 4.7443 4.7443 5.4201 5.4201 5.5953 5.5953 5.6970 5.6970 5.8104 5.8104 6.0733 6.0733 6.3089 6.3089 6.4409 6.4409 6.6410 6.6410 6.7187 6.7187 7.3847 7.3847 7.7489 7.7489 9.0950 9.0950 11.1064 11.1064 13.2281 13.2281 16.6410 16.6410 18.0491 18.0491 k = 0.6083-0.0241 0.3810 ( 3468 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6906 3.6906 3.7137 3.7137 3.9643 3.9643 4.0013 4.0013 4.1105 4.1105 4.7522 4.7522 5.4176 5.4176 5.5873 5.5873 5.7041 5.7041 5.7987 5.7987 6.0738 6.0738 6.3241 6.3241 6.4509 6.4509 6.6492 6.6492 6.7317 6.7317 7.4258 7.4258 7.7918 7.7918 8.9716 8.9716 11.0351 11.0351 13.2036 13.2036 16.4928 16.4928 18.2026 18.2026 k = 0.6125-0.0361 0.3878 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6898 3.6898 3.7126 3.7126 3.9637 3.9637 3.9991 3.9991 4.1131 4.1131 4.7589 4.7589 5.4117 5.4117 5.5807 5.5807 5.7109 5.7109 5.7889 5.7889 6.0752 6.0752 6.3375 6.3375 6.4595 6.4595 6.6576 6.6576 6.7446 6.7446 7.4677 7.4677 7.8293 7.8293 8.8655 8.8655 10.9679 10.9679 13.1810 13.1810 16.3463 16.3463 18.3457 18.3457 k = 0.6167-0.0481 0.3946 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6892 3.6892 3.7116 3.7116 3.9632 3.9632 3.9970 3.9970 4.1156 4.1156 4.7642 4.7642 5.4021 5.4021 5.5757 5.5757 5.7171 5.7171 5.7817 5.7817 6.0775 6.0775 6.3490 6.3490 6.4662 6.4662 6.6660 6.6660 6.7575 6.7575 7.5066 7.5066 7.8602 7.8602 8.7817 8.7817 10.9050 10.9050 13.1602 13.1602 16.2020 16.2020 18.4727 18.4727 k = 0.6208-0.0601 0.4014 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6887 3.6887 3.7106 3.7106 3.9628 3.9628 3.9952 3.9952 4.1179 4.1179 4.7680 4.7680 5.3885 5.3885 5.5723 5.5723 5.7220 5.7220 5.7778 5.7778 6.0807 6.0807 6.3584 6.3584 6.4711 6.4711 6.6741 6.6741 6.7707 6.7707 7.5362 7.5362 7.8865 7.8865 8.7248 8.7248 10.8466 10.8466 13.1411 13.1411 16.0603 16.0603 18.5772 18.5772 k = 0.6250-0.0722 0.4082 ( 3480 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6883 3.6883 3.7097 3.7097 3.9623 3.9623 3.9935 3.9935 4.1199 4.1199 4.7703 4.7703 5.3710 5.3710 5.5702 5.5702 5.7253 5.7253 5.7776 5.7776 6.0847 6.0847 6.3654 6.3654 6.4738 6.4738 6.6815 6.6815 6.7846 6.7846 7.5470 7.5470 7.9148 7.9148 8.6978 8.6978 10.7927 10.7927 13.1237 13.1237 15.9212 15.9212 18.6541 18.6541 k = 0.6250-0.0722 0.4082 ( 3480 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6883 3.6883 3.7097 3.7097 3.9623 3.9623 3.9935 3.9935 4.1199 4.1199 4.7703 4.7703 5.3710 5.3710 5.5702 5.5702 5.7253 5.7253 5.7776 5.7776 6.0847 6.0847 6.3654 6.3654 6.4738 6.4738 6.6815 6.6815 6.7846 6.7846 7.5470 7.5470 7.9148 7.9148 8.6978 8.6978 10.7927 10.7927 13.1237 13.1237 15.9212 15.9212 18.6541 18.6541 k = 0.6181-0.0682 0.4196 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6884 3.6884 3.7097 3.7097 3.9622 3.9622 3.9938 3.9938 4.1199 4.1199 4.7706 4.7706 5.3716 5.3716 5.5700 5.5700 5.7242 5.7242 5.7782 5.7782 6.0867 6.0867 6.3654 6.3654 6.4731 6.4731 6.6813 6.6813 6.7830 6.7830 7.5487 7.5487 7.9179 7.9179 8.6981 8.6981 10.7759 10.7759 13.1434 13.1434 15.9222 15.9222 18.6148 18.6148 k = 0.6111-0.0642 0.4309 ( 3461 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6886 3.6886 3.7096 3.7096 3.9616 3.9616 3.9944 3.9944 4.1196 4.1196 4.7713 4.7713 5.3734 5.3734 5.5694 5.5694 5.7210 5.7210 5.7798 5.7798 6.0921 6.0921 6.3650 6.3650 6.4709 6.4709 6.6802 6.6802 6.7781 6.7781 7.5537 7.5537 7.9268 7.9268 8.6989 8.6989 10.7271 10.7271 13.2006 13.2006 15.9252 15.9252 18.5177 18.5177 k = 0.6042-0.0601 0.4423 ( 3463 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6889 3.6889 3.7095 3.7095 3.9608 3.9608 3.9954 3.9954 4.1190 4.1190 4.7725 4.7725 5.3763 5.3763 5.5681 5.5681 5.7160 5.7160 5.7828 5.7828 6.1007 6.1007 6.3643 6.3643 6.4671 6.4671 6.6779 6.6779 6.7709 6.7709 7.5618 7.5618 7.9416 7.9416 8.7002 8.7002 10.6505 10.6505 13.2913 13.2913 15.9301 15.9301 18.3926 18.3926 k = 0.5972-0.0561 0.4536 ( 3461 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6893 3.6893 3.7093 3.7093 3.9597 3.9597 3.9968 3.9968 4.1184 4.1184 4.7741 4.7741 5.3802 5.3802 5.5662 5.5662 5.7097 5.7097 5.7874 5.7874 6.1119 6.1119 6.3633 6.3633 6.4617 6.4617 6.6739 6.6739 6.7625 6.7625 7.5727 7.5727 7.9621 7.9621 8.7021 8.7021 10.5517 10.5517 13.4098 13.4098 15.9370 15.9370 18.2553 18.2553 k = 0.5903-0.0521 0.4649 ( 3461 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6898 3.6898 3.7090 3.7090 3.9585 3.9585 3.9983 3.9983 4.1175 4.1175 4.7761 4.7761 5.3851 5.3851 5.5632 5.5632 5.7026 5.7026 5.7939 5.7939 6.1249 6.1249 6.3618 6.3618 6.4546 6.4546 6.6676 6.6676 6.7544 6.7544 7.5863 7.5863 7.9878 7.9878 8.7046 8.7046 10.4361 10.4361 13.5508 13.5508 15.9458 15.9458 18.1129 18.1129 k = 0.5833-0.0481 0.4763 ( 3459 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6904 3.6904 3.7087 3.7087 3.9571 3.9571 4.0001 4.0001 4.1165 4.1165 4.7786 4.7786 5.3908 5.3908 5.5592 5.5592 5.6953 5.6953 5.8025 5.8025 6.1391 6.1391 6.3599 6.3599 6.4457 6.4457 6.6584 6.6584 6.7479 6.7479 7.6021 7.6021 8.0185 8.0185 8.7077 8.7077 10.3084 10.3084 13.7097 13.7097 15.9567 15.9567 17.9686 17.9686 k = 0.5764-0.0441 0.4876 ( 3452 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6911 3.6911 3.7084 3.7084 3.9558 3.9558 4.0019 4.0019 4.1155 4.1155 4.7813 4.7813 5.3973 5.3973 5.5540 5.5540 5.6882 5.6882 5.8134 5.8134 6.1538 6.1538 6.3571 6.3571 6.4352 6.4352 6.6468 6.6468 6.7436 6.7436 7.6201 7.6201 8.0538 8.0538 8.7114 8.7114 10.1725 10.1725 13.8828 13.8828 15.9694 15.9694 17.8240 17.8240 k = 0.5694-0.0401 0.4990 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6919 3.6919 3.7080 3.7080 3.9544 3.9544 4.0037 4.0037 4.1143 4.1143 4.7843 4.7843 5.4043 5.4043 5.5478 5.5478 5.6813 5.6813 5.8269 5.8269 6.1684 6.1684 6.3530 6.3530 6.4231 6.4231 6.6338 6.6338 6.7412 6.7412 7.6400 7.6400 8.0932 8.0932 8.7160 8.7160 10.0313 10.0313 14.0671 14.0671 15.9840 15.9840 17.6798 17.6798 k = 0.5625-0.0361 0.5103 ( 3450 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6927 3.6927 3.7076 3.7076 3.9531 3.9531 4.0056 4.0056 4.1130 4.1130 4.7875 4.7875 5.4119 5.4119 5.5407 5.5407 5.6748 5.6748 5.8430 5.8430 6.1823 6.1823 6.3467 6.3467 6.4105 6.4105 6.6206 6.6206 6.7404 6.7404 7.6619 7.6619 8.1362 8.1362 8.7213 8.7213 9.8871 9.8871 14.2607 14.2607 16.0005 16.0005 17.5365 17.5365 k = 0.5556-0.0321 0.5217 ( 3453 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6934 3.6934 3.7072 3.7072 3.9519 3.9519 4.0074 4.0074 4.1117 4.1117 4.7908 4.7908 5.4197 5.4197 5.5333 5.5333 5.6686 5.6686 5.8618 5.8618 6.1948 6.1948 6.3367 6.3367 6.3989 6.3989 6.6081 6.6081 6.7405 6.7405 7.6855 7.6855 8.1824 8.1824 8.7274 8.7274 9.7419 9.7419 14.4618 14.4618 16.0187 16.0187 17.3943 17.3943 k = 0.5486-0.0281 0.5330 ( 3454 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6942 3.6942 3.7067 3.7067 3.9508 3.9508 4.0092 4.0092 4.1105 4.1105 4.7941 4.7941 5.4277 5.4277 5.5257 5.5257 5.6627 5.6627 5.8831 5.8831 6.2053 6.2053 6.3219 6.3219 6.3900 6.3900 6.5971 6.5971 6.7411 6.7411 7.7106 7.7106 8.2313 8.2313 8.7345 8.7345 9.5972 9.5972 14.6692 14.6692 16.0386 16.0386 17.2527 17.2527 k = 0.5417-0.0241 0.5443 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6949 3.6949 3.7063 3.7063 3.9498 3.9498 4.0108 4.0108 4.1093 4.1093 4.7974 4.7974 5.4357 5.4357 5.5184 5.5184 5.6571 5.6571 5.9069 5.9069 6.2127 6.2127 6.3033 6.3033 6.3842 6.3842 6.5879 6.5879 6.7421 6.7421 7.7371 7.7371 8.2825 8.2825 8.7427 8.7427 9.4547 9.4547 14.8817 14.8817 16.0600 16.0600 17.1108 17.1108 k = 0.5347-0.0200 0.5557 ( 3452 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6956 3.6956 3.7059 3.7059 3.9490 3.9490 4.0122 4.0122 4.1081 4.1081 4.8004 4.8004 5.4436 5.4436 5.5117 5.5117 5.6516 5.6516 5.9329 5.9329 6.2143 6.2143 6.2841 6.2841 6.3809 6.3809 6.5805 6.5805 6.7432 6.7432 7.7643 7.7643 8.3352 8.3352 8.7520 8.7520 9.3159 9.3159 15.0985 15.0985 16.0826 16.0826 16.9662 16.9662 k = 0.5278-0.0160 0.5670 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6961 3.6961 3.7055 3.7055 3.9483 3.9483 4.0135 4.0135 4.1072 4.1072 4.8032 4.8032 5.4510 5.4510 5.5057 5.5057 5.6466 5.6466 5.9609 5.9609 6.2060 6.2060 6.2702 6.2702 6.3792 6.3792 6.5747 6.5747 6.7441 6.7441 7.7917 7.7917 8.3886 8.3886 8.7625 8.7625 9.1831 9.1831 15.3186 15.3186 16.1057 16.1057 16.8174 16.8174 k = 0.5208-0.0120 0.5784 ( 3442 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6966 3.6966 3.7052 3.7052 3.9478 3.9478 4.0145 4.0145 4.1064 4.1064 4.8056 4.8056 5.4579 5.4579 5.5005 5.5005 5.6421 5.6421 5.9903 5.9903 6.1861 6.1861 6.2643 6.2643 6.3785 6.3785 6.5704 6.5704 6.7449 6.7449 7.8179 7.8179 8.4413 8.4413 8.7745 8.7745 9.0593 9.0593 15.5408 15.5408 16.1282 16.1282 16.6661 16.6661 k = 0.5139-0.0080 0.5897 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6970 3.6970 3.7049 3.7049 3.9474 3.9474 4.0152 4.0152 4.1058 4.1058 4.8075 4.8075 5.4640 5.4640 5.4962 5.4962 5.6384 5.6384 6.0206 6.0206 6.1594 6.1594 6.2628 6.2628 6.3784 6.3784 6.5675 6.5675 6.7455 6.7455 7.8411 7.8411 8.4901 8.4901 8.7879 8.7879 8.9498 8.9498 15.7625 15.7625 16.1477 16.1477 16.5151 16.5151 k = 0.5069-0.0040 0.6010 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6972 3.6972 3.7047 3.7047 3.9472 3.9472 4.0156 4.0156 4.1054 4.1054 4.8086 4.8086 5.4686 5.4686 5.4929 5.4929 5.6360 5.6360 6.0495 6.0495 6.1316 6.1316 6.2626 6.2626 6.3785 6.3785 6.5658 6.5658 6.7458 6.7458 7.8583 7.8583 8.5282 8.5282 8.8028 8.8028 8.8648 8.8648 15.9743 15.9743 16.1619 16.1619 16.3671 16.3671 k = 0.5000-0.0000 0.6124 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6972 3.6972 3.7047 3.7047 3.9471 3.9471 4.0158 4.0158 4.1053 4.1053 4.8091 4.8091 5.4706 5.4706 5.4915 5.4915 5.6351 5.6351 6.0662 6.0662 6.1152 6.1152 6.2626 6.2626 6.3786 6.3786 6.5652 6.5652 6.7459 6.7459 7.8652 7.8652 8.5433 8.5433 8.8148 8.8148 8.8259 8.8259 16.0909 16.0909 16.2108 16.2108 16.2404 16.2404 k = 0.5000-0.0000 0.6124 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6972 3.6972 3.7047 3.7047 3.9471 3.9471 4.0158 4.0158 4.1053 4.1053 4.8091 4.8091 5.4706 5.4706 5.4915 5.4915 5.6351 5.6351 6.0662 6.0662 6.1152 6.1152 6.2626 6.2626 6.3786 6.3786 6.5652 6.5652 6.7459 6.7459 7.8652 7.8652 8.5433 8.5433 8.8148 8.8148 8.8259 8.8259 16.0909 16.0909 16.2108 16.2108 16.2404 16.2404 k = 0.5000 0.0082 0.6007 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6972 3.6972 3.7048 3.7048 3.9472 3.9472 4.0158 4.0158 4.1052 4.1052 4.8084 4.8084 5.4700 5.4700 5.4925 5.4925 5.6354 5.6354 6.0658 6.0658 6.1152 6.1152 6.2623 6.2623 6.3778 6.3778 6.5651 6.5651 6.7455 6.7455 7.8583 7.8583 8.5067 8.5067 8.8303 8.8303 8.8616 8.8616 16.0416 16.0416 16.1831 16.1831 16.2899 16.2899 k = 0.5000 0.0165 0.5890 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6970 3.6970 3.7053 3.7053 3.9475 3.9475 4.0160 4.0160 4.1049 4.1049 4.8066 4.8066 5.4685 5.4685 5.4951 5.4951 5.6363 5.6363 6.0645 6.0645 6.1150 6.1150 6.2613 6.2613 6.3756 6.3756 6.5648 6.5648 6.7444 6.7444 7.8387 7.8387 8.4291 8.4291 8.8635 8.8635 8.9495 8.9495 15.9568 15.9568 16.1154 16.1154 16.3824 16.3824 k = 0.5000 0.0247 0.5774 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6968 3.6968 3.7059 3.7059 3.9479 3.9479 4.0162 4.0162 4.1044 4.1044 4.8035 4.8035 5.4662 5.4662 5.4991 5.4991 5.6377 5.6377 6.0623 6.0623 6.1147 6.1147 6.2596 6.2596 6.3719 6.3719 6.5644 6.5644 6.7424 6.7424 7.8087 7.8087 8.3404 8.3404 8.9150 8.9150 9.0562 9.0562 15.8678 15.8678 16.0340 16.0340 16.4845 16.4845 k = 0.5000 0.0330 0.5657 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6966 3.6966 3.7067 3.7067 3.9486 3.9486 4.0166 4.0166 4.1037 4.1037 4.7993 4.7993 5.4637 5.4637 5.5041 5.5041 5.6396 5.6396 6.0594 6.0594 6.1142 6.1142 6.2572 6.2572 6.3669 6.3669 6.5637 6.5637 6.7396 6.7396 7.7712 7.7712 8.2500 8.2500 8.9823 8.9823 9.1719 9.1719 15.7794 15.7794 15.9486 15.9486 16.5913 16.5913 k = 0.5000 0.0412 0.5541 ( 3446 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6964 3.6964 3.7076 3.7076 3.9494 3.9494 4.0170 4.0170 4.1028 4.1028 4.7939 4.7939 5.4609 5.4609 5.5099 5.5099 5.6420 5.6420 6.0557 6.0557 6.1136 6.1136 6.2541 6.2541 6.3608 6.3608 6.5629 6.5629 6.7360 6.7360 7.7291 7.7291 8.1610 8.1610 9.0626 9.0626 9.2934 9.2934 15.6929 15.6929 15.8628 15.8628 16.7016 16.7016 k = 0.5000 0.0495 0.5424 ( 3450 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6963 3.6963 3.7087 3.7087 3.9504 3.9504 4.0176 4.0176 4.1017 4.1017 4.7873 4.7873 5.4578 5.4578 5.5164 5.5164 5.6448 5.6448 6.0514 6.0514 6.1128 6.1128 6.2502 6.2502 6.3537 6.3537 6.5619 6.5619 6.7317 6.7317 7.6844 7.6844 8.0745 8.0745 9.1537 9.1537 9.4194 9.4194 15.6087 15.6087 15.7779 15.7779 16.8149 16.8149 k = 0.5000 0.0577 0.5307 ( 3454 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6963 3.6963 3.7097 3.7097 3.9515 3.9515 4.0182 4.0182 4.1005 4.1005 4.7797 4.7797 5.4544 5.4544 5.5236 5.5236 5.6479 5.6479 6.0464 6.0464 6.1118 6.1118 6.2457 6.2457 6.3459 6.3459 6.5608 6.5608 6.7265 6.7265 7.6390 7.6390 7.9911 7.9911 9.2538 9.2538 9.5494 9.5494 15.5269 15.5269 15.6947 15.6947 16.9310 16.9310 k = 0.5000 0.0660 0.5191 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6964 3.6964 3.7109 3.7109 3.9528 3.9528 4.0189 4.0189 4.0991 4.0991 4.7711 4.7711 5.4505 5.4505 5.5314 5.5314 5.6513 5.6513 6.0410 6.0410 6.1106 6.1106 6.2403 6.2403 6.3378 6.3378 6.5595 6.5595 6.7206 6.7206 7.5938 7.5938 7.9111 7.9111 9.3615 9.3615 9.6828 9.6828 15.4477 15.4477 15.6135 15.6135 17.0499 17.0499 k = 0.5000 0.0742 0.5074 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6966 3.6966 3.7121 3.7121 3.9543 3.9543 4.0198 4.0198 4.0975 4.0975 4.7616 4.7616 5.4461 5.4461 5.5398 5.5398 5.6548 5.6548 6.0352 6.0352 6.1092 6.1092 6.2341 6.2341 6.3295 6.3295 6.5580 6.5580 6.7140 6.7140 7.5498 7.5498 7.8346 7.8346 9.4760 9.4760 9.8197 9.8197 15.3710 15.3710 15.5346 15.5346 17.1714 17.1714 k = 0.5000 0.0825 0.4957 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6969 3.6969 3.7133 3.7133 3.9560 3.9560 4.0208 4.0208 4.0959 4.0959 4.7513 4.7513 5.4411 5.4411 5.5487 5.5487 5.6584 5.6584 6.0293 6.0293 6.1077 6.1077 6.2272 6.2272 6.3215 6.3215 6.5564 6.5564 6.7067 6.7067 7.5075 7.5075 7.7617 7.7617 9.5965 9.5965 9.9596 9.9596 15.2971 15.2971 15.4582 15.4582 17.2955 17.2955 k = 0.5000 0.0907 0.4841 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6973 3.6973 3.7145 3.7145 3.9578 3.9578 4.0218 4.0218 4.0941 4.0941 4.7401 4.7401 5.4352 5.4352 5.5579 5.5579 5.6619 5.6619 6.0235 6.0235 6.1060 6.1060 6.2195 6.2195 6.3140 6.3140 6.5546 6.5546 6.6986 6.6986 7.4672 7.4672 7.6923 7.6923 9.7224 9.7224 10.1024 10.1024 15.2259 15.2259 15.3843 15.3843 17.4222 17.4222 k = 0.5000 0.0990 0.4724 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6979 3.6979 3.7158 3.7158 3.9597 3.9597 4.0230 4.0230 4.0922 4.0922 4.7283 4.7283 5.4284 5.4284 5.5674 5.5674 5.6653 5.6653 6.0179 6.0179 6.1041 6.1041 6.2112 6.2112 6.3071 6.3071 6.5527 6.5527 6.6899 6.6899 7.4290 7.4290 7.6265 7.6265 9.8534 9.8534 10.2481 10.2481 15.1574 15.1574 15.3129 15.3129 17.5514 17.5514 k = 0.5000 0.1072 0.4607 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6986 3.6986 3.7170 3.7170 3.9618 3.9618 4.0242 4.0242 4.0903 4.0903 4.7160 4.7160 5.4205 5.4205 5.5769 5.5769 5.6686 5.6686 6.0129 6.0129 6.1021 6.1021 6.2024 6.2024 6.3010 6.3010 6.5506 6.5506 6.6806 6.6806 7.3932 7.3932 7.5642 7.5642 9.9891 9.9891 10.3964 10.3964 15.0916 15.0916 15.2443 15.2443 17.6830 17.6830 k = 0.5000 0.1155 0.4491 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6994 3.6994 3.7182 3.7182 3.9641 3.9641 4.0255 4.0255 4.0883 4.0883 4.7031 4.7031 5.4113 5.4113 5.5862 5.5862 5.6720 5.6720 6.0087 6.0087 6.1001 6.1001 6.1934 6.1934 6.2957 6.2957 6.5483 6.5483 6.6707 6.6707 7.3595 7.3595 7.5054 7.5054 10.1291 10.1291 10.5473 10.5473 15.0286 15.0286 15.1784 15.1784 17.8169 17.8169 k = 0.5000 0.1237 0.4374 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.7003 3.7003 3.7194 3.7194 3.9665 3.9665 4.0269 4.0269 4.0863 4.0863 4.6899 4.6899 5.4008 5.4008 5.5950 5.5950 5.6755 5.6755 6.0057 6.0057 6.0980 6.0980 6.1845 6.1845 6.2912 6.2912 6.5457 6.5457 6.6604 6.6604 7.3280 7.3280 7.4500 7.4500 10.2733 10.2733 10.7006 10.7006 14.9684 14.9684 15.1153 15.1153 17.9528 17.9528 k = 0.5000 0.1320 0.4257 ( 3452 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.7012 3.7012 3.7206 3.7206 3.9691 3.9691 4.0284 4.0284 4.0842 4.0842 4.6765 4.6765 5.3889 5.3889 5.6030 5.6030 5.6795 5.6795 6.0040 6.0040 6.0959 6.0959 6.1757 6.1757 6.2875 6.2875 6.5430 6.5430 6.6497 6.6497 7.2982 7.2982 7.3983 7.3983 10.4215 10.4215 10.8562 10.8562 14.9109 14.9109 15.0550 15.0550 18.0891 18.0891 k = 0.5000 0.1402 0.4141 ( 3456 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7023 3.7023 3.7217 3.7217 3.9718 3.9718 4.0300 4.0300 4.0821 4.0821 4.6629 4.6629 5.3754 5.3754 5.6095 5.6095 5.6844 5.6844 6.0038 6.0038 6.0938 6.0938 6.1673 6.1673 6.2845 6.2845 6.5398 6.5398 6.6387 6.6387 7.2697 7.2697 7.3504 7.3504 10.5735 10.5735 11.0138 11.0138 14.8563 14.8563 14.9975 14.9975 18.1020 18.1020 k = 0.5000 0.1485 0.4024 ( 3456 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7033 3.7033 3.7228 3.7228 3.9747 3.9747 4.0317 4.0317 4.0801 4.0801 4.6493 4.6493 5.3604 5.3604 5.6144 5.6144 5.6905 5.6905 6.0051 6.0051 6.0918 6.0918 6.1594 6.1594 6.2821 6.2821 6.5362 6.5362 6.6276 6.6276 7.2415 7.2415 7.3072 7.3072 10.7291 10.7291 11.1734 11.1734 14.8045 14.8045 14.9430 14.9430 17.8624 17.8624 k = 0.5000 0.1567 0.3908 ( 3456 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7044 3.7044 3.7239 3.7239 3.9776 3.9776 4.0334 4.0334 4.0781 4.0781 4.6358 4.6358 5.3440 5.3440 5.6174 5.6174 5.6981 5.6981 6.0080 6.0080 6.0899 6.0899 6.1522 6.1522 6.2803 6.2803 6.5320 6.5320 6.6166 6.6166 7.2120 7.2120 7.2700 7.2700 10.8882 10.8882 11.3348 11.3348 14.7555 14.7555 14.8915 14.8915 17.6205 17.6205 k = 0.5000 0.1650 0.3791 ( 3456 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7055 3.7055 3.7249 3.7249 3.9806 3.9806 4.0352 4.0352 4.0761 4.0761 4.6225 4.6225 5.3264 5.3264 5.6189 5.6189 5.7071 5.7071 6.0122 6.0122 6.0882 6.0882 6.1457 6.1457 6.2791 6.2791 6.5271 6.5271 6.6059 6.6059 7.1801 7.1801 7.2397 7.2397 11.0507 11.0507 11.4977 11.4977 14.7093 14.7093 14.8431 14.8431 17.3797 17.3797 k = 0.5000 0.1732 0.3674 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7066 3.7066 3.7259 3.7259 3.9837 3.9837 4.0370 4.0370 4.0741 4.0741 4.6096 4.6096 5.3076 5.3076 5.6190 5.6190 5.7171 5.7171 6.0175 6.0175 6.0866 6.0866 6.1402 6.1402 6.2784 6.2784 6.5213 6.5213 6.5958 6.5958 7.1462 7.1462 7.2157 7.2157 11.2164 11.2164 11.6618 11.6618 14.6659 14.6659 14.7976 14.7976 17.1405 17.1405 k = 0.5000 0.1815 0.3558 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7076 3.7076 3.7268 3.7268 3.9868 3.9868 4.0389 4.0389 4.0723 4.0723 4.5971 4.5971 5.2881 5.2881 5.6183 5.6183 5.7279 5.7279 6.0236 6.0236 6.0850 6.0850 6.1360 6.1360 6.2782 6.2782 6.5143 6.5143 6.5867 6.5867 7.1119 7.1119 7.1961 7.1961 11.3851 11.3851 11.8270 11.8270 14.6254 14.6254 14.7553 14.7554 16.9032 16.9032 k = 0.5000 0.1897 0.3441 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7086 3.7086 3.7277 3.7277 3.9899 3.9899 4.0409 4.0409 4.0705 4.0705 4.5851 4.5851 5.2681 5.2681 5.6170 5.6170 5.7392 5.7392 6.0301 6.0301 6.0834 6.0834 6.1334 6.1334 6.2784 6.2784 6.5061 6.5061 6.5786 6.5786 7.0784 7.0784 7.1797 7.1797 11.5568 11.5568 11.9926 11.9926 14.5876 14.5876 14.7163 14.7163 16.6681 16.6681 k = 0.5000 0.1979 0.3324 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7095 3.7095 3.7286 3.7286 3.9930 3.9930 4.0429 4.0429 4.0689 4.0689 4.5737 4.5737 5.2480 5.2480 5.6154 5.6154 5.7506 5.7506 6.0364 6.0364 6.0814 6.0814 6.1329 6.1329 6.2791 6.2791 6.4965 6.4965 6.5719 6.5719 7.0465 7.0465 7.1657 7.1657 11.7311 11.7311 12.1584 12.1584 14.5526 14.5526 14.6804 14.6804 16.4354 16.4354 k = 0.5000 0.2062 0.3208 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7104 3.7104 3.7294 3.7294 3.9960 3.9960 4.0449 4.0449 4.0674 4.0674 4.5631 4.5631 5.2281 5.2281 5.6136 5.6136 5.7620 5.7620 6.0421 6.0421 6.0790 6.0790 6.1348 6.1348 6.2801 6.2801 6.4856 6.4856 6.5664 6.5664 7.0163 7.0163 7.1536 7.1536 11.9080 11.9080 12.3236 12.3236 14.5204 14.5204 14.6479 14.6479 16.2053 16.2053 k = 0.5000 0.2144 0.3091 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7111 3.7111 3.7301 3.7301 3.9988 3.9988 4.0470 4.0470 4.0659 4.0659 4.5533 4.5533 5.2089 5.2089 5.6119 5.6119 5.7731 5.7731 6.0467 6.0467 6.0764 6.0764 6.1393 6.1393 6.2814 6.2814 6.4737 6.4737 6.5621 6.5621 6.9883 6.9883 7.1431 7.1431 12.0872 12.0872 12.4874 12.4874 14.4908 14.4908 14.6189 14.6189 15.9783 15.9783 k = 0.5000 0.2227 0.2974 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7118 3.7118 3.7308 3.7308 4.0014 4.0014 4.0491 4.0491 4.0647 4.0647 4.5443 4.5443 5.1906 5.1906 5.6102 5.6102 5.7839 5.7839 6.0498 6.0498 6.0737 6.0737 6.1461 6.1461 6.2831 6.2831 6.4610 6.4610 6.5587 6.5587 6.9625 6.9625 7.1340 7.1340 12.2682 12.2682 12.6488 12.6488 14.4637 14.4637 14.5934 14.5934 15.7548 15.7548 k = 0.5000 0.2309 0.2858 ( 3470 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7124 3.7124 3.7314 3.7314 4.0037 4.0037 4.0511 4.0511 4.0635 4.0635 4.5363 4.5363 5.1735 5.1735 5.6087 5.6087 5.7940 5.7940 6.0512 6.0512 6.0716 6.0716 6.1547 6.1547 6.2851 6.2851 6.4478 6.4478 6.5561 6.5561 6.9391 6.9391 7.1262 7.1262 12.4505 12.4505 12.8062 12.8062 14.4389 14.4389 14.5715 14.5715 15.5356 15.5356 k = 0.5000 0.2392 0.2741 ( 3470 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7129 3.7129 3.7320 3.7320 4.0058 4.0058 4.0530 4.0530 4.0626 4.0626 4.5292 4.5292 5.1581 5.1581 5.6073 5.6073 5.8033 5.8033 6.0508 6.0508 6.0705 6.0705 6.1645 6.1645 6.2873 6.2873 6.4344 6.4344 6.5543 6.5543 6.9183 6.9183 7.1196 7.1196 12.6333 12.6333 12.9577 12.9577 14.4161 14.4161 14.5533 14.5533 15.3219 15.3219 k = 0.5000 0.2474 0.2624 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7133 3.7133 3.7325 3.7325 4.0076 4.0076 4.0548 4.0548 4.0618 4.0618 4.5231 4.5231 5.1445 5.1445 5.6062 5.6062 5.8118 5.8118 6.0490 6.0490 6.0703 6.0703 6.1747 6.1747 6.2899 6.2899 6.4213 6.4213 6.5529 6.5529 6.9004 6.9004 7.1142 7.1142 12.8152 12.8152 13.1007 13.1007 14.3944 14.3944 14.5390 14.5390 15.1157 15.1157 k = 0.5000 0.2557 0.2508 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7136 3.7136 3.7329 3.7329 4.0090 4.0090 4.0564 4.0564 4.0611 4.0611 4.5181 4.5181 5.1331 5.1331 5.6052 5.6052 5.8190 5.8190 6.0465 6.0465 6.0707 6.0707 6.1845 6.1845 6.2927 6.2927 6.4087 6.4087 6.5520 6.5520 6.8853 6.8853 7.1099 7.1099 12.9936 12.9936 13.2317 13.2317 14.3720 14.3720 14.5280 14.5280 14.9215 14.9215 k = 0.5000 0.2639 0.2391 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7138 3.7138 3.7332 3.7332 4.0102 4.0102 4.0576 4.0576 4.0606 4.0606 4.5142 4.5142 5.1239 5.1239 5.6044 5.6044 5.8249 5.8249 6.0440 6.0440 6.0712 6.0712 6.1933 6.1933 6.2957 6.2957 6.3973 6.3973 6.5514 6.5514 6.8734 6.8734 7.1065 7.1065 13.1632 13.1632 13.3468 13.3468 14.3449 14.3449 14.5193 14.5193 14.7485 14.7485 k = 0.5000 0.2722 0.2275 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7140 3.7140 3.7335 3.7335 4.0110 4.0110 4.0586 4.0586 4.0603 4.0603 4.5114 4.5114 5.1173 5.1173 5.6039 5.6039 5.8293 5.8293 6.0420 6.0420 6.0717 6.0717 6.2002 6.2002 6.2986 6.2986 6.3878 6.3878 6.5511 6.5511 6.8647 6.8647 7.1042 7.1042 13.3117 13.3117 13.4433 13.4433 14.3041 14.3041 14.5078 14.5078 14.6187 14.6187 k = 0.5000 0.2804 0.2158 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.7141 3.7141 3.7336 3.7336 4.0115 4.0115 4.0592 4.0592 4.0602 4.0602 4.5097 4.5097 5.1133 5.1133 5.6036 5.6036 5.8320 5.8320 6.0407 6.0407 6.0721 6.0721 6.2047 6.2047 6.3010 6.3010 6.3814 6.3814 6.5510 6.5510 6.8595 6.8595 7.1028 7.1028 13.4128 13.4128 13.5209 13.5209 14.2480 14.2480 14.4855 14.4855 14.5608 14.5608 k = 0.5000 0.2887 0.2041 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.7142 3.7142 3.7337 3.7337 4.0116 4.0116 4.0593 4.0593 4.0602 4.0602 4.5092 4.5092 5.1119 5.1119 5.6035 5.6035 5.8329 5.8329 6.0402 6.0402 6.0722 6.0722 6.2062 6.2062 6.3019 6.3019 6.3791 6.3791 6.5509 6.5509 6.8577 6.8577 7.1023 7.1023 13.4462 13.4462 13.5569 13.5569 14.2169 14.2169 14.4728 14.4728 14.5504 14.5504 k = 0.5000 0.2887 0.2041 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.7142 3.7142 3.7337 3.7337 4.0116 4.0116 4.0593 4.0593 4.0602 4.0602 4.5092 4.5092 5.1119 5.1119 5.6035 5.6035 5.8329 5.8329 6.0402 6.0402 6.0722 6.0722 6.2062 6.2062 6.3019 6.3019 6.3791 6.3791 6.5509 6.5509 6.8577 6.8577 7.1023 7.1023 13.4462 13.4462 13.5569 13.5569 14.2169 14.2169 14.4728 14.4728 14.5504 14.5504 k = 0.4958 0.2863 0.2177 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5804 -31.5804 -31.2929 -31.2929 -31.2928 -31.2928 3.7141 3.7141 3.7336 3.7336 4.0115 4.0115 4.0592 4.0592 4.0602 4.0602 4.5098 4.5098 5.1133 5.1133 5.6036 5.6036 5.8320 5.8320 6.0407 6.0407 6.0721 6.0721 6.2047 6.2047 6.3010 6.3010 6.3815 6.3815 6.5510 6.5510 6.8595 6.8595 7.1028 7.1028 13.4121 13.4121 13.5203 13.5203 14.2484 14.2484 14.4863 14.4863 14.5607 14.5607 k = 0.4917 0.2839 0.2313 ( 3455 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7140 3.7140 3.7335 3.7335 4.0109 4.0109 4.0586 4.0586 4.0603 4.0603 4.5115 4.5115 5.1174 5.1174 5.6039 5.6039 5.8292 5.8292 6.0420 6.0420 6.0717 6.0717 6.2001 6.2001 6.2986 6.2986 6.3880 6.3880 6.5511 6.5511 6.8648 6.8648 7.1042 7.1042 13.3074 13.3074 13.4439 13.4439 14.2957 14.2957 14.5329 14.5329 14.6045 14.6045 k = 0.4875 0.2815 0.2449 ( 3461 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7138 3.7138 3.7332 3.7332 4.0101 4.0101 4.0576 4.0576 4.0606 4.0606 4.5143 4.5143 5.1242 5.1242 5.6045 5.6045 5.8247 5.8247 6.0441 6.0441 6.0712 6.0712 6.1930 6.1930 6.2956 6.2956 6.3976 6.3976 6.5514 6.5514 6.8737 6.8737 7.1066 7.1066 13.1516 13.1516 13.3548 13.3548 14.2942 14.2942 14.6334 14.6334 14.6857 14.6857 k = 0.4833 0.2791 0.2586 ( 3465 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7136 3.7136 3.7329 3.7329 4.0090 4.0090 4.0563 4.0563 4.0611 4.0611 4.5183 4.5183 5.1335 5.1335 5.6052 5.6052 5.8188 5.8188 6.0465 6.0465 6.0707 6.0707 6.1841 6.1841 6.2926 6.2926 6.4092 6.4092 6.5520 6.5520 6.8858 6.8858 7.1101 7.1101 12.9710 12.9710 13.2554 13.2554 14.2532 14.2532 14.7672 14.7672 14.7936 14.7936 k = 0.4792 0.2766 0.2722 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7132 3.7132 3.7325 3.7325 4.0075 4.0075 4.0546 4.0546 4.0618 4.0618 4.5234 4.5234 5.1451 5.1451 5.6062 5.6062 5.8113 5.8113 6.0488 6.0488 6.0703 6.0703 6.1741 6.1741 6.2898 6.2898 6.4220 6.4220 6.5529 6.5529 6.9011 6.9011 7.1145 7.1145 12.7786 12.7786 13.1482 13.1482 14.1956 14.1956 14.9015 14.9015 14.9284 14.9284 k = 0.4750 0.2742 0.2858 ( 3472 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7128 3.7128 3.7320 3.7320 4.0057 4.0057 4.0527 4.0527 4.0627 4.0627 4.5296 4.5296 5.1590 5.1590 5.6074 5.6074 5.8029 5.8029 6.0502 6.0502 6.0707 6.0707 6.1638 6.1638 6.2875 6.2875 6.4354 6.4354 6.5543 6.5543 6.9192 6.9192 7.1202 7.1202 12.5801 12.5801 13.0361 13.0361 14.1316 14.1316 15.0338 15.0338 15.0788 15.0788 k = 0.4708 0.2718 0.2994 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7123 3.7123 3.7314 3.7314 4.0036 4.0036 4.0507 4.0507 4.0638 4.0638 4.5368 4.5368 5.1747 5.1747 5.6089 5.6089 5.7934 5.7934 6.0495 6.0495 6.0724 6.0724 6.1539 6.1539 6.2858 6.2858 6.4492 6.4492 6.5561 6.5561 6.9398 6.9398 7.1272 7.1272 12.3785 12.3785 12.9212 12.9212 14.0655 14.0655 15.1710 15.1710 15.2318 15.2318 k = 0.4667 0.2694 0.3130 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7117 3.7117 3.7308 3.7308 4.0012 4.0012 4.0484 4.0484 4.0651 4.0651 4.5450 4.5450 5.1920 5.1920 5.6106 5.6106 5.7832 5.7832 6.0463 6.0463 6.0754 6.0754 6.1452 6.1452 6.2847 6.2847 6.4630 6.4630 6.5586 6.5586 6.9625 6.9625 7.1358 7.1358 12.1755 12.1755 12.8052 12.8052 13.9994 13.9994 15.3129 15.3129 15.3853 15.3853 k = 0.4625 0.2670 0.3266 ( 3472 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7110 3.7110 3.7301 3.7301 3.9987 3.9987 4.0461 4.0461 4.0666 4.0666 4.5541 4.5541 5.2105 5.2105 5.6125 5.6125 5.7724 5.7724 6.0403 6.0403 6.0794 6.0794 6.1383 6.1383 6.2845 6.2845 6.4767 6.4767 6.5617 6.5617 6.9868 6.9868 7.1462 7.1462 11.9722 11.9722 12.6889 12.6889 13.9345 13.9345 15.4585 15.4585 15.5392 15.5392 k = 0.4583 0.2646 0.3402 ( 3474 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7102 3.7102 3.7293 3.7293 3.9959 3.9959 4.0437 4.0437 4.0683 4.0683 4.5641 4.5641 5.2300 5.2300 5.6147 5.6147 5.7613 5.7613 6.0319 6.0319 6.0839 6.0839 6.1333 6.1333 6.2855 6.2855 6.4902 6.4902 6.5654 6.5654 7.0120 7.0120 7.1592 7.1592 11.7693 11.7693 12.5731 12.5731 13.8715 13.8715 15.6072 15.6072 15.6938 15.6938 k = 0.4542 0.2622 0.3538 ( 3466 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7093 3.7093 3.7285 3.7285 3.9931 3.9931 4.0412 4.0412 4.0702 4.0702 4.5750 4.5750 5.2500 5.2500 5.6173 5.6173 5.7499 5.7499 6.0214 6.0214 6.0886 6.0886 6.1304 6.1304 6.2878 6.2878 6.5034 6.5034 6.5700 6.5700 7.0371 7.0371 7.1755 7.1755 11.5676 11.5676 12.4584 12.4584 13.8108 13.8108 15.7585 15.7585 15.8496 15.8496 k = 0.4500 0.2598 0.3674 ( 3466 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7082 3.7082 3.7277 3.7277 3.9903 3.9903 4.0386 4.0386 4.0722 4.0722 4.5865 4.5865 5.2701 5.2701 5.6201 5.6201 5.7384 5.7384 6.0090 6.0090 6.0930 6.0930 6.1297 6.1297 6.2917 6.2917 6.5163 6.5163 6.5752 6.5752 7.0614 7.0614 7.1958 7.1958 11.3675 11.3675 12.3451 12.3451 13.7526 13.7526 15.9120 15.9120 16.0067 16.0067 k = 0.4458 0.2574 0.3810 ( 3462 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.7071 3.7071 3.7269 3.7269 3.9874 3.9874 4.0360 4.0360 4.0745 4.0745 4.5986 4.5986 5.2899 5.2899 5.6232 5.6232 5.7269 5.7269 5.9954 5.9954 6.0964 6.0964 6.1315 6.1315 6.2974 6.2974 6.5288 6.5288 6.5813 6.5813 7.0840 7.0840 7.2208 7.2208 11.1694 11.1694 12.2335 12.2335 13.6970 13.6970 16.0675 16.0675 16.1654 16.1654 k = 0.4417 0.2550 0.3946 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.7058 3.7058 3.7260 3.7260 3.9846 3.9846 4.0333 4.0333 4.0768 4.0768 4.6112 4.6112 5.3092 5.3092 5.6267 5.6267 5.7155 5.7155 5.9808 5.9808 6.0979 6.0979 6.1365 6.1365 6.3047 6.3047 6.5408 6.5408 6.5882 6.5882 7.1047 7.1047 7.2507 7.2507 10.9736 10.9736 12.1240 12.1240 13.6441 13.6441 16.2249 16.2249 16.3258 16.3258 k = 0.4375 0.2526 0.4082 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.7045 3.7045 3.7250 3.7250 3.9819 3.9819 4.0306 4.0306 4.0793 4.0793 4.6242 4.6242 5.3275 5.3275 5.6306 5.6306 5.7043 5.7043 5.9654 5.9654 6.0974 6.0974 6.1448 6.1448 6.3138 6.3138 6.5524 6.5524 6.5961 6.5961 7.1240 7.1240 7.2852 7.2852 10.7805 10.7805 12.0167 12.0167 13.5938 13.5938 16.3841 16.3841 16.4878 16.4878 k = 0.4333 0.2502 0.4219 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.7031 3.7031 3.7241 3.7241 3.9794 3.9794 4.0279 4.0279 4.0820 4.0820 4.6374 4.6374 5.3445 5.3445 5.6347 5.6347 5.6935 5.6935 5.9496 5.9496 6.0955 6.0955 6.1559 6.1559 6.3244 6.3244 6.5634 6.5634 6.6050 6.6050 7.1426 7.1426 7.3237 7.3237 10.5904 10.5904 11.9120 11.9120 13.5463 13.5463 16.5449 16.5449 16.6510 16.6510 k = 0.4292 0.2478 0.4355 ( 3473 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.7017 3.7017 3.7232 3.7232 3.9770 3.9770 4.0251 4.0251 4.0847 4.0847 4.6508 4.6508 5.3600 5.3600 5.6390 5.6390 5.6832 5.6832 5.9335 5.9335 6.0926 6.0926 6.1692 6.1692 6.3362 6.3362 6.5737 6.5737 6.6150 6.6150 7.1612 7.1612 7.3654 7.3654 10.4037 10.4037 11.8098 11.8098 13.5013 13.5013 16.7068 16.7068 16.8147 16.8147 k = 0.4250 0.2454 0.4491 ( 3468 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.7003 3.7003 3.7222 3.7222 3.9748 3.9748 4.0223 4.0223 4.0875 4.0875 4.6642 4.6642 5.3739 5.3739 5.6428 5.6428 5.6741 5.6741 5.9172 5.9172 6.0892 6.0892 6.1844 6.1844 6.3491 6.3491 6.5834 6.5834 6.6260 6.6260 7.1806 7.1806 7.4097 7.4097 10.2206 10.2206 11.7104 11.7104 13.4589 13.4589 16.8690 16.8690 16.9774 16.9774 k = 0.4208 0.2430 0.4627 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6988 3.6988 3.7212 3.7212 3.9729 3.9729 4.0195 4.0195 4.0904 4.0904 4.6773 4.6773 5.3860 5.3860 5.6443 5.6443 5.6677 5.6677 5.9009 5.9009 6.0857 6.0857 6.2011 6.2011 6.3626 6.3626 6.5924 6.5924 6.6381 6.6381 7.2014 7.2014 7.4562 7.4562 10.0417 10.0417 11.6140 11.6140 13.4190 13.4190 17.0285 17.0285 17.1345 17.1345 k = 0.4167 0.2406 0.4763 ( 3454 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6975 3.6975 3.7202 3.7202 3.9711 3.9711 4.0168 4.0168 4.0933 4.0933 4.6902 4.6902 5.3964 5.3964 5.6407 5.6407 5.6669 5.6669 5.8846 5.8846 6.0823 6.0823 6.2190 6.2190 6.3765 6.3765 6.6010 6.6010 6.6509 6.6509 7.2244 7.2244 7.5043 7.5043 9.8674 9.8674 11.5208 11.5208 13.3816 13.3816 17.1671 17.1671 17.2730 17.2730 k = 0.4125 0.2382 0.4899 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6961 3.6961 3.7191 3.7191 3.9695 3.9695 4.0140 4.0140 4.0963 4.0963 4.7026 4.7026 5.4051 5.4051 5.6329 5.6329 5.6707 5.6707 5.8686 5.8686 6.0792 6.0792 6.2374 6.2374 6.3904 6.3904 6.6092 6.6092 6.6643 6.6643 7.2499 7.2499 7.5536 7.5536 9.6983 9.6983 11.4307 11.4307 13.3465 13.3465 17.1861 17.1861 17.4058 17.4058 k = 0.4083 0.2358 0.5035 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6948 3.6948 3.7181 3.7181 3.9682 3.9682 4.0113 4.0113 4.0992 4.0992 4.7143 4.7143 5.4119 5.4119 5.6236 5.6236 5.6764 5.6764 5.8529 5.8529 6.0767 6.0767 6.2560 6.2560 6.4041 6.4041 6.6171 6.6171 6.6780 6.6780 7.2785 7.2785 7.6035 7.6035 9.5353 9.5353 11.3442 11.3442 13.3136 13.3136 17.0785 17.0785 17.5627 17.5627 k = 0.4042 0.2333 0.5171 ( 3468 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6936 3.6936 3.7170 3.7170 3.9669 3.9669 4.0087 4.0087 4.1021 4.1021 4.7252 4.7252 5.4168 5.4168 5.6138 5.6138 5.6829 5.6829 5.8378 5.8378 6.0748 6.0748 6.2744 6.2744 6.4172 6.4172 6.6250 6.6250 6.6917 6.6917 7.3105 7.3105 7.6533 7.6533 9.3793 9.3793 11.2611 11.2611 13.2830 13.2830 16.9380 16.9380 17.7260 17.7260 k = 0.4000 0.2309 0.5307 ( 3466 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6925 3.6925 3.7159 3.7159 3.9659 3.9659 4.0061 4.0061 4.1050 4.1050 4.7353 4.7353 5.4197 5.4197 5.6043 5.6043 5.6899 5.6899 5.8236 5.8236 6.0736 6.0736 6.2921 6.2921 6.4296 6.4296 6.6329 6.6329 6.7053 6.7053 7.3459 7.3459 7.7022 7.7022 9.2319 9.2319 11.1819 11.1819 13.2545 13.2545 16.7901 16.7901 17.8892 17.8892 k = 0.3958 0.2285 0.5443 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6915 3.6915 3.7148 3.7148 3.9650 3.9650 4.0036 4.0036 4.1078 4.1078 4.7443 4.7443 5.4201 5.4201 5.5953 5.5953 5.6970 5.6970 5.8104 5.8104 6.0733 6.0733 6.3089 6.3089 6.4409 6.4409 6.6410 6.6410 6.7187 6.7187 7.3847 7.3847 7.7489 7.7489 9.0950 9.0950 11.1064 11.1064 13.2281 13.2281 16.6410 16.6410 18.0491 18.0491 k = 0.3917 0.2261 0.5579 ( 3468 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6906 3.6906 3.7137 3.7137 3.9643 3.9643 4.0013 4.0013 4.1105 4.1105 4.7522 4.7522 5.4176 5.4176 5.5873 5.5873 5.7041 5.7041 5.7987 5.7987 6.0738 6.0738 6.3241 6.3241 6.4509 6.4509 6.6492 6.6492 6.7317 6.7317 7.4258 7.4258 7.7918 7.7918 8.9716 8.9716 11.0351 11.0351 13.2036 13.2036 16.4928 16.4928 18.2026 18.2026 k = 0.3875 0.2237 0.5715 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6898 3.6898 3.7126 3.7126 3.9637 3.9637 3.9991 3.9991 4.1131 4.1131 4.7589 4.7589 5.4117 5.4117 5.5807 5.5807 5.7109 5.7109 5.7889 5.7889 6.0752 6.0752 6.3375 6.3375 6.4595 6.4595 6.6576 6.6576 6.7446 6.7446 7.4677 7.4677 7.8293 7.8293 8.8655 8.8655 10.9679 10.9679 13.1810 13.1810 16.3463 16.3463 18.3457 18.3457 k = 0.3833 0.2213 0.5852 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6892 3.6892 3.7116 3.7116 3.9632 3.9632 3.9970 3.9970 4.1156 4.1156 4.7642 4.7642 5.4021 5.4021 5.5757 5.5757 5.7171 5.7171 5.7817 5.7817 6.0775 6.0775 6.3490 6.3490 6.4662 6.4662 6.6660 6.6660 6.7575 6.7575 7.5066 7.5066 7.8602 7.8602 8.7817 8.7817 10.9050 10.9050 13.1602 13.1602 16.2020 16.2020 18.4727 18.4727 k = 0.3792 0.2189 0.5988 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2929 -31.2929 3.6887 3.6887 3.7106 3.7106 3.9628 3.9628 3.9952 3.9952 4.1179 4.1179 4.7680 4.7680 5.3885 5.3885 5.5723 5.5723 5.7220 5.7220 5.7778 5.7778 6.0807 6.0807 6.3584 6.3584 6.4711 6.4711 6.6741 6.6741 6.7707 6.7707 7.5362 7.5362 7.8865 7.8865 8.7248 8.7248 10.8466 10.8466 13.1411 13.1411 16.0603 16.0603 18.5772 18.5772 k = 0.3750 0.2165 0.6124 ( 3480 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6883 3.6883 3.7097 3.7097 3.9623 3.9623 3.9935 3.9935 4.1199 4.1199 4.7703 4.7703 5.3710 5.3710 5.5702 5.5702 5.7253 5.7253 5.7776 5.7776 6.0847 6.0847 6.3654 6.3654 6.4738 6.4738 6.6815 6.6815 6.7846 6.7846 7.5470 7.5470 7.9148 7.9148 8.6978 8.6978 10.7927 10.7927 13.1237 13.1237 15.9212 15.9212 18.6541 18.6541 k = 0.6250-0.0722 0.4082 ( 3480 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6883 3.6883 3.7097 3.7097 3.9623 3.9623 3.9935 3.9935 4.1199 4.1199 4.7703 4.7703 5.3710 5.3710 5.5702 5.5702 5.7253 5.7253 5.7776 5.7776 6.0847 6.0847 6.3654 6.3654 6.4738 6.4738 6.6815 6.6815 6.7846 6.7846 7.5470 7.5470 7.9148 7.9148 8.6978 8.6978 10.7927 10.7927 13.1237 13.1237 15.9212 15.9212 18.6541 18.6541 k = 0.6181-0.0842 0.4082 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6877 3.6877 3.7083 3.7083 3.9618 3.9618 3.9912 3.9912 4.1232 4.1232 4.7723 4.7723 5.3387 5.3387 5.5670 5.5670 5.7283 5.7283 5.7842 5.7842 6.0923 6.0923 6.3751 6.3751 6.4764 6.4764 6.6926 6.6926 6.8102 6.8102 7.5211 7.5211 7.9952 7.9952 8.6786 8.6786 10.7084 10.7084 13.0964 13.0964 15.6935 15.6935 18.7598 18.7598 k = 0.6111-0.0962 0.4082 ( 3464 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6870 3.6870 3.7069 3.7069 3.9611 3.9611 3.9891 3.9891 4.1264 4.1264 4.7732 4.7732 5.3061 5.3061 5.5626 5.5626 5.7303 5.7303 5.7954 5.7954 6.0999 6.0999 6.3838 6.3838 6.4784 6.4784 6.7021 6.7021 6.8380 6.8380 7.4681 7.4681 8.1081 8.1081 8.6612 8.6612 10.6270 10.6270 13.0697 13.0697 15.4695 15.4695 18.8677 18.8677 k = 0.6042-0.1083 0.4082 ( 3460 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2929 -31.2929 3.6863 3.6863 3.7055 3.7055 3.9603 3.9603 3.9875 3.9875 4.1295 4.1295 4.7732 4.7732 5.2736 5.2736 5.5570 5.5570 5.7337 5.7337 5.8088 5.8088 6.1075 6.1075 6.3917 6.3917 6.4800 6.4800 6.7101 6.7101 6.8673 6.8673 7.4052 7.4052 8.2360 8.2360 8.6455 8.6455 10.5486 10.5486 13.0433 13.0433 15.2499 15.2499 18.9777 18.9777 k = 0.5972-0.1203 0.4082 ( 3456 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6855 3.6855 3.7042 3.7042 3.9593 3.9593 3.9862 3.9862 4.1324 4.1324 4.7726 4.7726 5.2417 5.2417 5.5502 5.5502 5.7391 5.7391 5.8235 5.8235 6.1152 6.1152 6.3989 6.3989 6.4814 6.4814 6.7171 6.7171 6.8971 6.8971 7.3393 7.3393 8.3715 8.3715 8.6313 8.6313 10.4736 10.4736 13.0169 13.0169 15.0357 15.0357 19.0897 19.0897 k = 0.5903-0.1323 0.4082 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6846 3.6846 3.7031 3.7031 3.9583 3.9583 3.9854 3.9854 4.1352 4.1352 4.7714 4.7714 5.2107 5.2107 5.5428 5.5428 5.7462 5.7462 5.8392 5.8392 6.1230 6.1230 6.4054 6.4054 6.4826 6.4826 6.7231 6.7231 6.9267 6.9267 7.2735 7.2735 8.5112 8.5112 8.6187 8.6187 10.4021 10.4021 12.9900 12.9900 14.8276 14.8276 19.2035 19.2035 k = 0.5833-0.1443 0.4082 ( 3452 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6835 3.6835 3.7020 3.7020 3.9571 3.9571 3.9849 3.9849 4.1378 4.1378 4.7698 4.7698 5.1809 5.1809 5.5348 5.5348 5.7545 5.7545 5.8557 5.8557 6.1308 6.1308 6.4112 6.4112 6.4838 6.4838 6.7283 6.7283 6.9548 6.9548 7.2098 7.2098 8.6073 8.6073 8.6534 8.6534 10.3343 10.3343 12.9621 12.9621 14.6269 14.6269 19.3190 19.3190 k = 0.5764-0.1564 0.4082 ( 3456 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6824 3.6824 3.7010 3.7010 3.9559 3.9559 3.9847 3.9847 4.1402 4.1402 4.7680 4.7680 5.1525 5.1525 5.5268 5.5268 5.7635 5.7635 5.8731 5.8731 6.1387 6.1387 6.4163 6.4163 6.4850 6.4850 6.7327 6.7327 6.9793 6.9793 7.1506 7.1506 8.5973 8.5973 8.7964 8.7964 10.2706 10.2706 12.9324 12.9324 14.4350 14.4350 19.4359 19.4359 k = 0.5694-0.1684 0.4082 ( 3454 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6812 3.6812 3.7002 3.7002 3.9547 3.9547 3.9848 3.9848 4.1425 4.1425 4.7661 4.7661 5.1258 5.1258 5.5188 5.5188 5.7727 5.7727 5.8913 5.8913 6.1469 6.1469 6.4207 6.4207 6.4861 6.4861 6.7363 6.7363 6.9928 6.9928 7.1036 7.1036 8.5884 8.5884 8.9390 8.9390 10.2112 10.2112 12.9001 12.9001 14.2536 14.2536 19.5538 19.5538 k = 0.5625-0.1804 0.4082 ( 3458 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6800 3.6800 3.6995 3.6995 3.9535 3.9535 3.9851 3.9851 4.1446 4.1446 4.7641 4.7641 5.1009 5.1009 5.5112 5.5112 5.7815 5.7815 5.9101 5.9101 6.1555 6.1555 6.4246 6.4246 6.4873 6.4873 6.7389 6.7389 6.9774 6.9774 7.0868 7.0868 8.5806 8.5806 9.0797 9.0797 10.1565 10.1565 12.8640 12.8640 14.0848 14.0848 19.6724 19.6724 k = 0.5556-0.1925 0.4082 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2929 -31.2929 -31.2928 -31.2928 3.6788 3.6788 3.6989 3.6989 3.9524 3.9524 3.9856 3.9856 4.1466 4.1466 4.7622 4.7622 5.0782 5.0782 5.5043 5.5043 5.7897 5.7897 5.9294 5.9294 6.1648 6.1648 6.4278 6.4278 6.4884 6.4884 6.7407 6.7407 6.9362 6.9362 7.0974 7.0974 8.5738 8.5738 9.2171 9.2171 10.1068 10.1068 12.8231 12.8231 13.9311 13.9311 19.7909 19.7909 k = 0.5486-0.2045 0.4082 ( 3448 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6776 3.6776 3.6985 3.6985 3.9514 3.9514 3.9862 3.9862 4.1483 4.1483 4.7603 4.7603 5.0576 5.0576 5.4979 5.4979 5.7971 5.7971 5.9484 5.9484 6.1747 6.1747 6.4304 6.4304 6.4894 6.4894 6.7409 6.7409 6.8893 6.8893 7.1157 7.1157 8.5680 8.5680 9.3489 9.3489 10.0626 10.0626 12.7764 12.7764 13.7951 13.7951 19.9084 19.9084 k = 0.5417-0.2165 0.4082 ( 3444 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6764 3.6764 3.6981 3.6981 3.9505 3.9505 3.9868 3.9868 4.1498 4.1498 4.7587 4.7587 5.0395 5.0395 5.4922 5.4922 5.8036 5.8036 5.9666 5.9666 6.1855 6.1855 6.4326 6.4326 6.4901 6.4901 6.7387 6.7387 6.8453 6.8453 7.1347 7.1347 8.5631 8.5631 9.4728 9.4728 10.0245 10.0245 12.7239 12.7239 13.6790 13.6790 20.0237 20.0237 k = 0.5347-0.2285 0.4082 ( 3442 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6754 3.6754 3.6978 3.6978 3.9498 3.9498 3.9874 3.9874 4.1511 4.1511 4.7573 4.7573 5.0239 5.0239 5.4872 5.4872 5.8091 5.8091 5.9833 5.9833 6.1971 6.1971 6.4343 6.4343 6.4903 6.4903 6.7313 6.7313 6.8094 6.8094 7.1522 7.1522 8.5590 8.5590 9.5855 9.5855 9.9932 9.9932 12.6668 12.6668 13.5841 13.5841 20.1346 20.1346 k = 0.5278-0.2406 0.4082 ( 3454 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6745 3.6745 3.6976 3.6976 3.9491 3.9491 3.9879 3.9879 4.1521 4.1521 4.7561 4.7561 5.0109 5.0109 5.4830 5.4830 5.8136 5.8136 5.9977 5.9977 6.2092 6.2092 6.4355 6.4355 6.4900 6.4900 6.7152 6.7152 6.7869 6.7869 7.1673 7.1673 8.5557 8.5557 9.6825 9.6825 9.9703 9.9703 12.6084 12.6084 13.5102 13.5102 20.2382 20.2382 k = 0.5208-0.2526 0.4082 ( 3454 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6738 3.6738 3.6974 3.6974 3.9486 3.9486 3.9884 3.9884 4.1529 4.1529 4.7552 4.7552 5.0007 5.0007 5.4798 5.4798 5.8171 5.8171 6.0094 6.0094 6.2212 6.2212 6.4365 6.4365 6.4892 6.4892 6.6930 6.6930 6.7766 6.7766 7.1794 7.1794 8.5531 8.5531 9.7580 9.7580 9.9583 9.9583 12.5538 12.5538 13.4559 13.4559 20.3303 20.3303 k = 0.5139-0.2646 0.4082 ( 3466 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6732 3.6732 3.6973 3.6973 3.9482 3.9482 3.9887 3.9887 4.1535 4.1535 4.7545 4.7545 4.9933 4.9933 5.4773 5.4773 5.8196 5.8196 6.0179 6.0179 6.2317 6.2317 6.4371 6.4371 6.4879 6.4879 6.6725 6.6725 6.7724 6.7724 7.1883 7.1883 8.5513 8.5513 9.8058 9.8058 9.9595 9.9595 12.5090 12.5090 13.4192 13.4192 20.4048 20.4048 k = 0.5069-0.2766 0.4082 ( 3470 PWs) bands (ev): -64.6391 -64.6391 -31.5805 -31.5805 -31.2930 -31.2930 -31.2928 -31.2928 3.6729 3.6729 3.6972 3.6972 3.9480 3.9480 3.9890 3.9890 4.1538 4.1538 4.7541 4.7541 4.9888 4.9888 5.4759 5.4759 5.8210 5.8210 6.0231 6.0231 6.2391 6.2391 6.4374 6.4374 6.4866 6.4866 6.6587 6.6587 6.7707 6.7707 7.1937 7.1937 8.5503 8.5503 9.8273 9.8273 9.9690 9.9690 12.4794 12.4794 13.3981 13.3981 20.4542 20.4542 k = 0.5000-0.2887 0.4082 ( 3490 PWs) bands (ev): -64.6391 -64.6391 -31.5806 -31.5806 -31.2931 -31.2931 -31.2929 -31.2929 3.6727 3.6727 3.6971 3.6971 3.9479 3.9479 3.9890 3.9890 4.1539 4.1539 4.7539 4.7539 4.9873 4.9873 5.4754 5.4754 5.8214 5.8214 6.0248 6.0248 6.2418 6.2418 6.4374 6.4374 6.4860 6.4860 6.6539 6.6539 6.7703 6.7703 7.1954 7.1954 8.5499 8.5499 9.8327 9.8327 9.9743 9.9743 12.4690 12.4690 13.3912 13.3912 20.4716 20.4716 Writing output data file MgZnAg2.save init_run : 0.25s CPU 0.38s WALL ( 1 calls) electrons : 141.53s CPU 143.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 141.52s CPU 143.80s 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 : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 328 calls) cegterg : 128.81s CPU 130.51s WALL ( 428 calls) Called by sum_band: Called by *egterg: h_psi : 81.55s CPU 82.70s WALL ( 7313 calls) s_psi : 3.48s CPU 3.52s WALL ( 7313 calls) g_psi : 0.18s CPU 0.16s WALL ( 6557 calls) cdiaghg : 42.76s CPU 43.60s WALL ( 6885 calls) cegterg:over : 4.19s CPU 4.29s WALL ( 6557 calls) cegterg:upda : 3.24s CPU 3.22s WALL ( 6557 calls) cegterg:last : 2.15s CPU 2.08s WALL ( 1084 calls) cdiaghg:chol : 2.37s CPU 2.40s WALL ( 6885 calls) cdiaghg:inve : 1.46s CPU 1.55s WALL ( 6885 calls) cdiaghg:para : 2.39s CPU 2.49s WALL ( 13770 calls) Called by h_psi: h_psi:vloc : 73.71s CPU 74.72s WALL ( 7313 calls) h_psi:vnl : 7.69s CPU 7.82s WALL ( 7313 calls) add_vuspsi : 3.99s CPU 4.06s WALL ( 7313 calls) General routines calbec : 3.70s CPU 3.74s WALL ( 7313 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 69.44s CPU 70.44s WALL ( 703808 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.22s WALL ( 656 calls) Parallel routines fft_scatter : 21.45s CPU 21.85s WALL ( 703831 calls) PWSCF : 2m36.61s CPU 2m50.63s WALL This run was terminated on: 16:41: 7 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=