Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:48:44 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: ./ScInPt2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 62 29 8 1968 624 100 Max 63 30 9 1973 646 105 Sum 2245 1069 313 70913 22995 3695 bravais-lattice index = 14 lattice parameter (alat) = 8.7016 a.u. unit-cell volume = 465.8860 (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 = 51.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.701582 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 In 13.00 114.81800 In( 1.00) Sc 11.00 44.95590 Sc( 1.00) Pt 10.00 195.08400 Pt( 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= 327 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0030581 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0030581 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0030581 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0030581 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0030581 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0030581 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0030581 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0030581 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0030581 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0030581 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0030581 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0030581 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0030581 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0030581 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0030581 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0030581 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0030581 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0030581 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0030581 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0030581 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0030581 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0030581 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0030581 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0030581 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0030581 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0030581 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0030581 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0030581 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0030581 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0030581 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0030581 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0030581 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0030581 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0030581 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0030581 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0030581 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0030581 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0030581 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0030581 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0030581 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0030581 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0030581 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0030581 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0030581 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0030581 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0030581 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0030581 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0030581 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030581 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030581 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030581 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030581 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030581 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030581 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030581 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030581 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030581 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030581 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030581 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030581 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030581 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030581 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030581 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030581 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030581 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030581 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030581 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030581 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030581 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030581 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030581 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030581 k( 76) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 78) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030581 k( 79) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030581 k( 80) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030581 k( 81) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030581 k( 82) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030581 k( 83) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030581 k( 84) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030581 k( 85) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030581 k( 86) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030581 k( 87) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030581 k( 88) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030581 k( 89) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030581 k( 90) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030581 k( 91) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030581 k( 92) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030581 k( 93) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030581 k( 94) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030581 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 97) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030581 k( 98) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030581 k( 99) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030581 k( 100) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030581 k( 101) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030581 k( 102) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030581 k( 103) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030581 k( 104) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030581 k( 105) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030581 k( 106) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030581 k( 107) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030581 k( 108) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030581 k( 109) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030581 k( 110) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030581 k( 111) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030581 k( 112) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030581 k( 113) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030581 k( 114) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030581 k( 115) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030581 k( 116) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030581 k( 117) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030581 k( 118) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030581 k( 119) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030581 k( 120) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030581 k( 121) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030581 k( 122) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030581 k( 123) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030581 k( 124) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030581 k( 125) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030581 k( 126) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030581 k( 127) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030581 k( 128) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030581 k( 129) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030581 k( 130) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030581 k( 131) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030581 k( 132) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030581 k( 133) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030581 k( 134) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030581 k( 135) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030581 k( 136) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030581 k( 137) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030581 k( 138) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030581 k( 139) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030581 k( 140) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030581 k( 141) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030581 k( 142) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030581 k( 143) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030581 k( 144) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030581 k( 145) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030581 k( 146) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030581 k( 147) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030581 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 150) = ( 0.0119048 0.0068732 0.0048601), wk = 0.0030581 k( 151) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0030581 k( 152) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0030581 k( 153) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0030581 k( 154) = ( 0.0595238 0.0343661 0.0243005), wk = 0.0030581 k( 155) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0030581 k( 156) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0030581 k( 157) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0030581 k( 158) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0030581 k( 159) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0030581 k( 160) = ( 0.1309524 0.0756054 0.0534611), wk = 0.0030581 k( 161) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0030581 k( 162) = ( 0.1547619 0.0893518 0.0631813), wk = 0.0030581 k( 163) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0030581 k( 164) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0030581 k( 165) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0030581 k( 166) = ( 0.2023810 0.1168447 0.0826217), wk = 0.0030581 k( 167) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0030581 k( 168) = ( 0.2261905 0.1305911 0.0923419), wk = 0.0030581 k( 169) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0030581 k( 170) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0030581 k( 171) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0030581 k( 172) = ( 0.2738095 0.1580840 0.1117823), wk = 0.0030581 k( 173) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0030581 k( 174) = ( 0.2976190 0.1718304 0.1215025), wk = 0.0030581 k( 175) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0030581 k( 176) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0030581 k( 177) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0030581 k( 178) = ( 0.3452381 0.1993233 0.1409429), wk = 0.0030581 k( 179) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0030581 k( 180) = ( 0.3690476 0.2130697 0.1506631), wk = 0.0030581 k( 181) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0030581 k( 182) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0030581 k( 183) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0030581 k( 184) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0030581 k( 185) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0030581 k( 186) = ( 0.4404762 0.2543090 0.1798237), wk = 0.0030581 k( 187) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0030581 k( 188) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0030581 k( 189) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0030581 k( 190) = ( 0.4880952 0.2818019 0.1992640), wk = 0.0030581 k( 191) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 192) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 193) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0030581 k( 194) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0030581 k( 195) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0030581 k( 196) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0030581 k( 197) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0030581 k( 198) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0030581 k( 199) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0030581 k( 200) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0030581 k( 201) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0030581 k( 202) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0030581 k( 203) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0030581 k( 204) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0030581 k( 205) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0030581 k( 206) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0030581 k( 207) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0030581 k( 208) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0030581 k( 209) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0030581 k( 210) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0030581 k( 211) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0030581 k( 212) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0030581 k( 213) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0030581 k( 214) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0030581 k( 215) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0030581 k( 216) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0030581 k( 217) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0030581 k( 218) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0030581 k( 219) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0030581 k( 220) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0030581 k( 221) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0030581 k( 222) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 223) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 224) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030581 k( 225) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030581 k( 226) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030581 k( 227) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030581 k( 228) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030581 k( 229) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030581 k( 230) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030581 k( 231) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030581 k( 232) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030581 k( 233) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030581 k( 234) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030581 k( 235) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030581 k( 236) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030581 k( 237) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030581 k( 238) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030581 k( 239) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030581 k( 240) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030581 k( 241) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 242) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 243) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030581 k( 244) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030581 k( 245) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030581 k( 246) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030581 k( 247) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030581 k( 248) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030581 k( 249) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030581 k( 250) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030581 k( 251) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030581 k( 252) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030581 k( 253) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030581 k( 254) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030581 k( 255) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030581 k( 256) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030581 k( 257) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030581 k( 258) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030581 k( 259) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030581 k( 260) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030581 k( 261) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030581 k( 262) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030581 k( 263) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030581 k( 264) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030581 k( 265) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030581 k( 266) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030581 k( 267) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030581 k( 268) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030581 k( 269) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030581 k( 270) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030581 k( 271) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030581 k( 272) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030581 k( 273) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030581 k( 274) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030581 k( 275) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030581 k( 276) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030581 k( 277) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 279) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0030581 k( 280) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0030581 k( 281) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0030581 k( 282) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0030581 k( 283) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0030581 k( 284) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0030581 k( 285) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0030581 k( 286) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0030581 k( 287) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0030581 k( 288) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0030581 k( 289) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0030581 k( 290) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0030581 k( 291) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0030581 k( 292) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0030581 k( 293) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0030581 k( 294) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0030581 k( 295) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0030581 k( 296) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0030581 k( 297) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0030581 k( 298) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0030581 k( 299) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0030581 k( 300) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0030581 k( 301) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0030581 k( 302) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0030581 k( 303) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0030581 k( 304) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0030581 k( 305) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0030581 k( 306) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0030581 k( 307) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0030581 k( 308) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 309) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 310) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030581 k( 311) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030581 k( 312) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030581 k( 313) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030581 k( 314) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030581 k( 315) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030581 k( 316) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030581 k( 317) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030581 k( 318) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030581 k( 319) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030581 k( 320) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030581 k( 321) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030581 k( 322) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030581 k( 323) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030581 k( 324) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030581 k( 325) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030581 k( 326) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030581 k( 327) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0030581 k( 3) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0030581 k( 4) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0030581 k( 5) = ( 0.0408163 0.0000000 0.0408163), wk = 0.0030581 k( 6) = ( 0.0510204 -0.0000000 0.0510204), wk = 0.0030581 k( 7) = ( 0.0612245 0.0000000 0.0612245), wk = 0.0030581 k( 8) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0030581 k( 9) = ( 0.0816327 -0.0000000 0.0816327), wk = 0.0030581 k( 10) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0030581 k( 11) = ( 0.1020408 -0.0000000 0.1020408), wk = 0.0030581 k( 12) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0030581 k( 13) = ( 0.1224490 0.0000000 0.1224490), wk = 0.0030581 k( 14) = ( 0.1326531 -0.0000000 0.1326531), wk = 0.0030581 k( 15) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0030581 k( 16) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0030581 k( 17) = ( 0.1632653 0.0000000 0.1632653), wk = 0.0030581 k( 18) = ( 0.1734694 0.0000000 0.1734694), wk = 0.0030581 k( 19) = ( 0.1836735 -0.0000000 0.1836735), wk = 0.0030581 k( 20) = ( 0.1938776 0.0000000 0.1938776), wk = 0.0030581 k( 21) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0030581 k( 22) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0030581 k( 23) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0030581 k( 24) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0030581 k( 25) = ( 0.2448980 0.0000000 0.2448980), wk = 0.0030581 k( 26) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0030581 k( 27) = ( 0.2653061 -0.0000000 0.2653061), wk = 0.0030581 k( 28) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0030581 k( 29) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0030581 k( 30) = ( 0.2959184 -0.0000000 0.2959184), wk = 0.0030581 k( 31) = ( 0.3061224 0.0000000 0.3061224), wk = 0.0030581 k( 32) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0030581 k( 33) = ( 0.3265306 -0.0000000 0.3265306), wk = 0.0030581 k( 34) = ( 0.3367347 0.0000000 0.3367347), wk = 0.0030581 k( 35) = ( 0.3469388 0.0000000 0.3469388), wk = 0.0030581 k( 36) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0030581 k( 37) = ( 0.3673469 -0.0000000 0.3673469), wk = 0.0030581 k( 38) = ( 0.3775510 0.0000000 0.3775510), wk = 0.0030581 k( 39) = ( 0.3877551 0.0000000 0.3877551), wk = 0.0030581 k( 40) = ( 0.3979592 0.0000000 0.3979592), wk = 0.0030581 k( 41) = ( 0.4081633 0.0000000 0.4081633), wk = 0.0030581 k( 42) = ( 0.4183674 0.0000000 0.4183673), wk = 0.0030581 k( 43) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0030581 k( 44) = ( 0.4387755 0.0000000 0.4387755), wk = 0.0030581 k( 45) = ( 0.4489796 0.0000000 0.4489796), wk = 0.0030581 k( 46) = ( 0.4591837 0.0000000 0.4591837), wk = 0.0030581 k( 47) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0030581 k( 48) = ( 0.4795918 0.0000000 0.4795918), wk = 0.0030581 k( 49) = ( 0.4897959 0.0000000 0.4897959), wk = 0.0030581 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030581 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030581 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030581 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030581 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030581 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030581 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030581 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030581 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030581 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030581 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030581 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030581 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030581 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030581 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030581 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030581 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030581 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030581 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030581 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030581 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030581 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030581 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030581 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030581 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030581 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030581 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030581 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030581 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030581 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030581 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030581 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030581 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030581 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030581 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030581 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030581 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030581 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030581 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030581 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030581 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030581 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030581 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030581 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030581 k( 100) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030581 k( 101) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030581 k( 102) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030581 k( 103) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030581 k( 104) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030581 k( 105) = ( 0.3100962 0.3100961 0.6201923), wk = 0.0030581 k( 106) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030581 k( 107) = ( 0.2956731 0.2956731 0.5913462), wk = 0.0030581 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030581 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030581 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030581 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030581 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030581 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030581 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030581 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030581 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030581 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030581 k( 118) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030581 k( 119) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030581 k( 120) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0030581 k( 121) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030581 k( 122) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030581 k( 123) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030581 k( 124) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030581 k( 125) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030581 k( 126) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030581 k( 127) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030581 k( 128) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030581 k( 129) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030581 k( 130) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030581 k( 131) = ( 0.1225962 0.1225962 0.2451923), wk = 0.0030581 k( 132) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030581 k( 133) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030581 k( 134) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030581 k( 135) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030581 k( 136) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030581 k( 137) = ( 0.0793269 0.0793269 0.1586538), wk = 0.0030581 k( 138) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030581 k( 139) = ( 0.0649038 0.0649038 0.1298077), wk = 0.0030581 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030581 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030581 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030581 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030581 k( 144) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030581 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030581 k( 146) = ( 0.0144231 0.0144231 0.0288462), wk = 0.0030581 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030581 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 150) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0030581 k( 151) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0030581 k( 152) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0030581 k( 153) = ( 0.0476191 0.0476190 0.0476190), wk = 0.0030581 k( 154) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0030581 k( 155) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0030581 k( 156) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0030581 k( 157) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0030581 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0030581 k( 159) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0030581 k( 160) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0030581 k( 161) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0030581 k( 162) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0030581 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030581 k( 164) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0030581 k( 165) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0030581 k( 166) = ( 0.2023810 0.2023809 0.2023810), wk = 0.0030581 k( 167) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0030581 k( 168) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0030581 k( 169) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0030581 k( 170) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 k( 171) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0030581 k( 172) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0030581 k( 173) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0030581 k( 174) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0030581 k( 175) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0030581 k( 176) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0030581 k( 177) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030581 k( 178) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0030581 k( 179) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0030581 k( 180) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0030581 k( 181) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0030581 k( 182) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0030581 k( 183) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0030581 k( 184) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0030581 k( 185) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0030581 k( 186) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0030581 k( 187) = ( 0.4523810 0.4523810 0.4523809), wk = 0.0030581 k( 188) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0030581 k( 189) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0030581 k( 190) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0030581 k( 191) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 193) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030581 k( 194) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030581 k( 195) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030581 k( 196) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030581 k( 197) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030581 k( 198) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030581 k( 199) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030581 k( 200) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030581 k( 201) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030581 k( 202) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030581 k( 203) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030581 k( 204) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030581 k( 205) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030581 k( 206) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030581 k( 207) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030581 k( 208) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030581 k( 209) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030581 k( 210) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030581 k( 211) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030581 k( 212) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030581 k( 213) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030581 k( 214) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030581 k( 215) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030581 k( 216) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030581 k( 217) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030581 k( 218) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030581 k( 219) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030581 k( 220) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030581 k( 221) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030581 k( 222) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 224) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030581 k( 225) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030581 k( 226) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030581 k( 227) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030581 k( 228) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030581 k( 229) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030581 k( 230) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030581 k( 231) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030581 k( 232) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030581 k( 233) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030581 k( 234) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030581 k( 235) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030581 k( 236) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030581 k( 237) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030581 k( 238) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030581 k( 239) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030581 k( 240) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030581 k( 241) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 243) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030581 k( 244) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030581 k( 245) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030581 k( 246) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030581 k( 247) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030581 k( 248) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030581 k( 249) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030581 k( 250) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030581 k( 251) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030581 k( 252) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030581 k( 253) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030581 k( 254) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030581 k( 255) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030581 k( 256) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030581 k( 257) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030581 k( 258) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030581 k( 259) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030581 k( 260) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030581 k( 261) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030581 k( 262) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030581 k( 263) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030581 k( 264) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030581 k( 265) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030581 k( 266) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030581 k( 267) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030581 k( 268) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030581 k( 269) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030581 k( 270) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030581 k( 271) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030581 k( 272) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030581 k( 273) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030581 k( 274) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030581 k( 275) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030581 k( 276) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030581 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 279) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030581 k( 280) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030581 k( 281) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030581 k( 282) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030581 k( 283) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030581 k( 284) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030581 k( 285) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030581 k( 286) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030581 k( 287) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030581 k( 288) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030581 k( 289) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030581 k( 290) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030581 k( 291) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030581 k( 292) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030581 k( 293) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030581 k( 294) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030581 k( 295) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030581 k( 296) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030581 k( 297) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030581 k( 298) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030581 k( 299) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030581 k( 300) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030581 k( 301) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030581 k( 302) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030581 k( 303) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030581 k( 304) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030581 k( 305) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030581 k( 306) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030581 k( 307) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030581 k( 308) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 309) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 310) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030581 k( 311) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030581 k( 312) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030581 k( 313) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030581 k( 314) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030581 k( 315) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030581 k( 316) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030581 k( 317) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030581 k( 318) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030581 k( 319) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030581 k( 320) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030581 k( 321) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030581 k( 322) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030581 k( 323) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030581 k( 324) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030581 k( 325) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030581 k( 326) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030581 k( 327) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 Dense grid: 70913 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22995 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 162, 52) NL pseudopotentials 0.17 Mb ( 81, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 1969) G-vector shells 0.00 Mb ( 505) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 162, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./ScInPt2.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.5 secs Computing kpt #: 11 total cpu time spent up to now is 9.0 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to now is 10.5 secs Computing kpt #: 15 total cpu time spent up to now is 11.0 secs Computing kpt #: 16 total cpu time spent up to now is 11.5 secs Computing kpt #: 17 total cpu time spent up to now is 12.0 secs Computing kpt #: 18 total cpu time spent up to now is 12.4 secs Computing kpt #: 19 total cpu time spent up to now is 12.9 secs Computing kpt #: 20 total cpu time spent up to now is 13.4 secs Computing kpt #: 21 total cpu time spent up to now is 13.9 secs Computing kpt #: 22 total cpu time spent up to now is 14.4 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.3 secs Computing kpt #: 25 total cpu time spent up to now is 15.8 secs Computing kpt #: 26 total cpu time spent up to now is 16.3 secs Computing kpt #: 27 total cpu time spent up to now is 16.7 secs Computing kpt #: 28 total cpu time spent up to now is 17.2 secs Computing kpt #: 29 total cpu time spent up to now is 17.7 secs Computing kpt #: 30 total cpu time spent up to now is 18.2 secs Computing kpt #: 31 total cpu time spent up to now is 18.7 secs Computing kpt #: 32 total cpu time spent up to now is 19.2 secs Computing kpt #: 33 total cpu time spent up to now is 19.7 secs Computing kpt #: 34 total cpu time spent up to now is 20.2 secs Computing kpt #: 35 total cpu time spent up to now is 20.7 secs Computing kpt #: 36 total cpu time spent up to now is 21.2 secs Computing kpt #: 37 total cpu time spent up to now is 21.7 secs Computing kpt #: 38 total cpu time spent up to now is 22.3 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 23.8 secs Computing kpt #: 40 total cpu time spent up to now is 24.4 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 25.8 secs Computing kpt #: 42 total cpu time spent up to now is 26.5 secs Computing kpt #: 43 total cpu time spent up to now is 27.1 secs Computing kpt #: 44 total cpu time spent up to now is 27.7 secs Computing kpt #: 45 total cpu time spent up to now is 28.2 secs Computing kpt #: 46 total cpu time spent up to now is 28.9 secs Computing kpt #: 47 total cpu time spent up to now is 29.4 secs Computing kpt #: 48 total cpu time spent up to now is 30.0 secs Computing kpt #: 49 total cpu time spent up to now is 30.7 secs Computing kpt #: 50 total cpu time spent up to now is 31.4 secs Computing kpt #: 51 total cpu time spent up to now is 32.0 secs Computing kpt #: 52 total cpu time spent up to now is 32.6 secs Computing kpt #: 53 total cpu time spent up to now is 33.2 secs Computing kpt #: 54 total cpu time spent up to now is 33.8 secs Computing kpt #: 55 total cpu time spent up to now is 34.3 secs Computing kpt #: 56 total cpu time spent up to now is 34.9 secs Computing kpt #: 57 total cpu time spent up to now is 35.5 secs Computing kpt #: 58 total cpu time spent up to now is 36.0 secs Computing kpt #: 59 total cpu time spent up to now is 36.6 secs Computing kpt #: 60 total cpu time spent up to now is 37.1 secs Computing kpt #: 61 total cpu time spent up to now is 37.7 secs Computing kpt #: 62 total cpu time spent up to now is 38.2 secs Computing kpt #: 63 total cpu time spent up to now is 38.7 secs Computing kpt #: 64 total cpu time spent up to now is 39.3 secs Computing kpt #: 65 total cpu time spent up to now is 39.8 secs Computing kpt #: 66 total cpu time spent up to now is 40.3 secs Computing kpt #: 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spent up to now is 84.9 secs Computing kpt #: 145 total cpu time spent up to now is 85.5 secs Computing kpt #: 146 total cpu time spent up to now is 86.1 secs Computing kpt #: 147 total cpu time spent up to now is 86.6 secs Computing kpt #: 148 total cpu time spent up to now is 87.2 secs Computing kpt #: 149 total cpu time spent up to now is 87.8 secs Computing kpt #: 150 total cpu time spent up to now is 88.4 secs Computing kpt #: 151 total cpu time spent up to now is 88.9 secs Computing kpt #: 152 total cpu time spent up to now is 89.6 secs Computing kpt #: 153 total cpu time spent up to now is 90.2 secs Computing kpt #: 154 total cpu time spent up to now is 90.8 secs Computing kpt #: 155 total cpu time spent up to now is 91.4 secs Computing kpt #: 156 total cpu time spent up to now is 91.9 secs Computing kpt #: 157 total cpu time spent up to now is 92.5 secs Computing kpt #: 158 total cpu time spent up to now is 93.0 secs Computing kpt #: 159 total cpu time spent up to now is 93.5 secs Computing kpt #: 160 total cpu time spent up to now is 94.0 secs Computing kpt #: 161 total cpu time spent up to now is 94.5 secs Computing kpt #: 162 total cpu time spent up to now is 95.1 secs Computing kpt #: 163 total cpu time spent up to now is 95.6 secs Computing kpt #: 164 total cpu time spent up to now is 96.1 secs Computing kpt #: 165 total cpu time spent up to now is 96.7 secs Computing kpt #: 166 total cpu time spent up to now is 97.2 secs Computing kpt #: 167 total cpu time spent up to now is 97.7 secs Computing kpt #: 168 total cpu time spent up to now is 98.2 secs Computing kpt #: 169 total cpu time spent up to now is 98.8 secs Computing kpt #: 170 total cpu time spent up to now is 99.3 secs Computing kpt #: 171 total cpu time spent up to now is 99.9 secs Computing kpt #: 172 total cpu time spent up to now is 100.5 secs Computing kpt #: 173 total cpu time spent up to now is 101.0 secs Computing kpt #: 174 total cpu time spent up to now is 101.6 secs Computing kpt #: 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cpu time spent up to now is 110.7 secs Computing kpt #: 191 total cpu time spent up to now is 111.3 secs Computing kpt #: 192 total cpu time spent up to now is 111.8 secs Computing kpt #: 193 total cpu time spent up to now is 112.4 secs Computing kpt #: 194 total cpu time spent up to now is 113.0 secs Computing kpt #: 195 total cpu time spent up to now is 113.5 secs Computing kpt #: 196 total cpu time spent up to now is 114.0 secs Computing kpt #: 197 total cpu time spent up to now is 114.5 secs Computing kpt #: 198 total cpu time spent up to now is 115.0 secs Computing kpt #: 199 total cpu time spent up to now is 115.5 secs Computing kpt #: 200 total cpu time spent up to now is 116.0 secs Computing kpt #: 201 total cpu time spent up to now is 116.5 secs Computing kpt #: 202 total cpu time spent up to now is 117.0 secs Computing kpt #: 203 total cpu time spent up to now is 117.5 secs Computing kpt #: 204 total cpu time spent up to now is 118.0 secs Computing kpt #: 205 total cpu time spent up to now is 118.4 secs Computing kpt #: 206 total cpu time spent up to now is 118.9 secs Computing kpt #: 207 total cpu time spent up to now is 119.4 secs Computing kpt #: 208 total cpu time spent up to now is 119.9 secs Computing kpt #: 209 total cpu time spent up to now is 120.4 secs Computing kpt #: 210 total cpu time spent up to now is 120.9 secs Computing kpt #: 211 total cpu time spent up to now is 121.4 secs Computing kpt #: 212 total cpu time spent up to now is 122.0 secs Computing kpt #: 213 total cpu time spent up to now is 122.5 secs Computing kpt #: 214 total cpu time spent up to now is 123.0 secs Computing kpt #: 215 total cpu time spent up to now is 123.6 secs Computing kpt #: 216 total cpu time spent up to now is 124.1 secs Computing kpt #: 217 total cpu time spent up to now is 124.7 secs Computing kpt #: 218 total cpu time spent up to now is 125.3 secs Computing kpt #: 219 total cpu time spent up to now is 125.8 secs Computing kpt #: 220 total cpu time spent up to now is 126.4 secs Computing kpt #: 221 total cpu time spent up to now is 127.0 secs Computing kpt #: 222 total cpu time spent up to now is 127.6 secs Computing kpt #: 223 total cpu time spent up to now is 128.2 secs Computing kpt #: 224 total cpu time spent up to now is 128.8 secs Computing kpt #: 225 total cpu time spent up to now is 129.4 secs Computing kpt #: 226 total cpu time spent up to now is 130.0 secs Computing kpt #: 227 total cpu time spent up to now is 130.6 secs Computing kpt #: 228 total cpu time spent up to now is 131.1 secs Computing kpt #: 229 total cpu time spent up to now is 131.7 secs Computing kpt #: 230 total cpu time spent up to now is 132.2 secs Computing kpt #: 231 total cpu time spent up to now is 132.8 secs Computing kpt #: 232 total cpu time spent up to now is 133.3 secs Computing kpt #: 233 total cpu time spent up to now is 133.9 secs Computing kpt #: 234 total cpu time spent up to now is 134.4 secs Computing kpt #: 235 total cpu time spent up to now is 135.0 secs Computing kpt #: 236 total cpu time spent up to now is 135.5 secs Computing kpt #: 237 total cpu time spent up to now is 136.1 secs Computing kpt #: 238 total cpu time spent up to now is 136.7 secs Computing kpt #: 239 total cpu time spent up to now is 137.2 secs Computing kpt #: 240 total cpu time spent up to now is 137.7 secs Computing kpt #: 241 total cpu time spent up to now is 138.3 secs Computing kpt #: 242 total cpu time spent up to now is 138.8 secs Computing kpt #: 243 total cpu time spent up to now is 139.3 secs Computing kpt #: 244 total cpu time spent up to now is 139.9 secs Computing kpt #: 245 total cpu time spent up to now is 140.4 secs Computing kpt #: 246 total cpu time spent up to now is 141.0 secs Computing kpt #: 247 total cpu time spent up to now is 141.6 secs Computing kpt #: 248 total cpu time spent up to now is 142.1 secs Computing kpt #: 249 total cpu time spent up to now is 142.7 secs Computing kpt #: 250 total cpu time spent up to now is 143.2 secs Computing kpt #: 251 total cpu time spent up to now is 143.8 secs Computing kpt #: 252 total cpu time spent up to now is 144.4 secs Computing kpt #: 253 total cpu time spent up to now is 144.9 secs Computing kpt #: 254 total cpu time spent up to now is 145.5 secs Computing kpt #: 255 total cpu time spent up to now is 146.0 secs Computing kpt #: 256 total cpu time spent up to now is 146.6 secs Computing kpt #: 257 total cpu time spent up to now is 147.2 secs Computing kpt #: 258 total cpu time spent up to now is 147.7 secs Computing kpt #: 259 total cpu time spent up to now is 148.2 secs Computing kpt #: 260 total cpu time spent up to now is 148.7 secs Computing kpt #: 261 total cpu time spent up to now is 149.2 secs Computing kpt #: 262 total cpu time spent up to now is 149.7 secs Computing kpt #: 263 total cpu time spent up to now is 150.2 secs Computing kpt #: 264 total cpu time spent up to now is 150.7 secs Computing kpt #: 265 total cpu time spent up to now is 151.2 secs Computing kpt #: 266 total cpu time spent up to now is 151.7 secs Computing kpt #: 267 total cpu time spent up to now is 152.2 secs Computing kpt #: 268 total cpu time spent up to now is 152.7 secs Computing kpt #: 269 total cpu time spent up to now is 153.2 secs Computing kpt #: 270 total cpu time spent up to now is 153.6 secs Computing kpt #: 271 total cpu time spent up to now is 154.1 secs Computing kpt #: 272 total cpu time spent up to now is 154.7 secs Computing kpt #: 273 total cpu time spent up to now is 155.2 secs Computing kpt #: 274 total cpu time spent up to now is 155.8 secs Computing kpt #: 275 total cpu time spent up to now is 156.3 secs Computing kpt #: 276 total cpu time spent up to now is 156.9 secs Computing kpt #: 277 total cpu time spent up to now is 157.5 secs Computing kpt #: 278 total cpu time spent up to now is 158.0 secs Computing kpt #: 279 total cpu time spent up to now is 158.5 secs Computing kpt #: 280 total cpu time spent up to now is 159.1 secs Computing kpt #: 281 total cpu time spent up to now is 159.6 secs Computing kpt #: 282 total cpu time spent up to now is 160.1 secs Computing kpt #: 283 total cpu time spent up to now is 160.7 secs Computing kpt #: 284 total cpu time spent up to now is 161.2 secs Computing kpt #: 285 total cpu time spent up to now is 161.7 secs Computing kpt #: 286 total cpu time spent up to now is 162.2 secs Computing kpt #: 287 total cpu time spent up to now is 162.7 secs Computing kpt #: 288 total cpu time spent up to now is 163.1 secs Computing kpt #: 289 total cpu time spent up to now is 163.6 secs Computing kpt #: 290 total cpu time spent up to now is 164.1 secs Computing kpt #: 291 total cpu time spent up to now is 164.6 secs Computing kpt #: 292 total cpu time spent up to now is 165.1 secs Computing kpt #: 293 total cpu time spent up to now is 165.6 secs Computing kpt #: 294 total cpu time spent up to now is 166.1 secs Computing kpt #: 295 total cpu time spent up to now is 166.6 secs Computing kpt #: 296 total cpu time spent up to now is 167.1 secs Computing kpt #: 297 total cpu time spent up to now is 167.6 secs Computing kpt #: 298 total cpu time spent up to now is 168.2 secs Computing kpt #: 299 total cpu time spent up to now is 168.7 secs Computing kpt #: 300 total cpu time spent up to now is 169.2 secs Computing kpt #: 301 total cpu time spent up to now is 169.7 secs Computing kpt #: 302 total cpu time spent up to now is 170.3 secs Computing kpt #: 303 total cpu time spent up to now is 170.9 secs Computing kpt #: 304 total cpu time spent up to now is 171.4 secs Computing kpt #: 305 total cpu time spent up to now is 172.0 secs Computing kpt #: 306 total cpu time spent up to now is 172.6 secs Computing kpt #: 307 total cpu time spent up to now is 173.2 secs Computing kpt #: 308 total cpu time spent up to now is 173.8 secs Computing kpt #: 309 total cpu time spent up to now is 174.3 secs Computing kpt #: 310 total cpu time spent up to now is 174.9 secs Computing kpt #: 311 total cpu time spent up to now is 175.5 secs Computing kpt #: 312 total cpu time spent up to now is 176.1 secs Computing kpt #: 313 total cpu time spent up to now is 176.6 secs Computing kpt #: 314 total cpu time spent up to now is 177.2 secs Computing kpt #: 315 total cpu time spent up to now is 177.8 secs Computing kpt #: 316 total cpu time spent up to now is 178.3 secs Computing kpt #: 317 total cpu time spent up to now is 179.0 secs Computing kpt #: 318 total cpu time spent up to now is 179.9 secs Computing kpt #: 319 total cpu time spent up to now is 180.6 secs Computing kpt #: 320 total cpu time spent up to now is 181.1 secs Computing kpt #: 321 total cpu time spent up to now is 181.7 secs Computing kpt #: 322 total cpu time spent up to now is 182.3 secs Computing kpt #: 323 total cpu time spent up to now is 183.1 secs Computing kpt #: 324 total cpu time spent up to now is 183.7 secs Computing kpt #: 325 total cpu time spent up to now is 184.3 secs Computing kpt #: 326 total cpu time spent up to now is 184.9 secs Computing kpt #: 327 total cpu time spent up to now is 185.5 secs ethr = 2.27E-08, avg # of iterations = 22.8 total cpu time spent up to now is 185.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2837 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5956 -12.5956 -12.5956 -12.5956 0.4473 0.4473 0.4473 0.4473 1.2563 1.2563 1.2887 1.2887 1.2887 1.2887 5.7147 5.7147 10.4009 10.4009 10.4009 10.4009 10.6780 10.6780 10.6780 10.6780 10.9014 10.9014 12.8400 12.8400 12.8400 12.8400 13.3958 13.3958 14.2303 14.2303 14.2303 14.2303 15.4171 15.4171 16.0066 16.0066 16.0066 16.0066 18.1068 18.1068 18.1068 18.1068 18.7807 18.7807 k = 0.0102-0.0059 0.0083 ( 2846 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5957 -12.5957 -12.5956 -12.5956 0.4471 0.4471 0.4472 0.4472 1.2562 1.2562 1.2885 1.2885 1.2887 1.2887 5.7165 5.7165 10.3992 10.3992 10.4018 10.4018 10.6783 10.6783 10.6795 10.6795 10.9020 10.9020 12.8396 12.8396 12.8397 12.8397 13.3952 13.3952 14.2241 14.2241 14.2301 14.2301 15.4168 15.4168 16.0035 16.0035 16.0036 16.0036 18.1047 18.1047 18.1058 18.1058 18.7877 18.7877 k = 0.0204-0.0118 0.0167 ( 2838 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5957 -12.5957 -12.5957 -12.5957 0.4472 0.4472 0.4473 0.4473 1.2563 1.2563 1.2886 1.2886 1.2887 1.2887 5.7218 5.7218 10.3939 10.3939 10.4045 10.4045 10.6793 10.6793 10.6840 10.6840 10.9040 10.9040 12.8384 12.8384 12.8389 12.8389 13.3934 13.3934 14.2058 14.2058 14.2297 14.2297 15.4160 15.4160 15.9943 15.9943 15.9947 15.9947 18.0984 18.0984 18.1028 18.1028 18.8085 18.8085 k = 0.0306-0.0177 0.0250 ( 2838 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5957 -12.5957 -12.5957 -12.5957 0.4471 0.4471 0.4474 0.4474 1.2564 1.2564 1.2886 1.2886 1.2889 1.2889 5.7307 5.7307 10.3854 10.3854 10.4089 10.4089 10.6808 10.6808 10.6912 10.6912 10.9072 10.9072 12.8365 12.8365 12.8374 12.8374 13.3903 13.3903 14.1760 14.1760 14.2289 14.2289 15.4143 15.4143 15.9793 15.9793 15.9805 15.9805 18.0875 18.0875 18.0978 18.0978 18.8424 18.8424 k = 0.0408-0.0236 0.0333 ( 2822 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5958 -12.5958 -12.5956 -12.5956 0.4472 0.4472 0.4476 0.4476 1.2565 1.2565 1.2889 1.2889 1.2891 1.2891 5.7430 5.7430 10.3738 10.3738 10.4151 10.4151 10.6830 10.6830 10.7009 10.7009 10.9117 10.9117 12.8339 12.8339 12.8354 12.8354 13.3858 13.3858 14.1359 14.1359 14.2279 14.2279 15.4110 15.4110 15.9586 15.9586 15.9617 15.9617 18.0715 18.0715 18.0909 18.0909 18.8313 18.8313 k = 0.0510-0.0295 0.0417 ( 2822 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5959 -12.5959 -12.5956 -12.5956 0.4472 0.4472 0.4478 0.4478 1.2566 1.2566 1.2891 1.2891 1.2893 1.2893 5.7589 5.7589 10.3592 10.3592 10.4230 10.4230 10.6858 10.6858 10.7130 10.7130 10.9175 10.9175 12.8305 12.8305 12.8327 12.8327 13.3796 13.3796 14.0867 14.0867 14.2265 14.2265 15.4054 15.4054 15.9328 15.9328 15.9393 15.9393 18.0498 18.0498 18.0821 18.0821 18.7926 18.7926 k = 0.0612-0.0353 0.0500 ( 2822 PWs) bands (ev): -34.1111 -34.1111 -13.1019 -13.1019 -12.5960 -12.5960 -12.5957 -12.5957 0.4471 0.4471 0.4480 0.4480 1.2566 1.2566 1.2892 1.2892 1.2896 1.2896 5.7783 5.7783 10.3419 10.3419 10.4326 10.4326 10.6892 10.6892 10.7272 10.7272 10.9248 10.9248 12.8264 12.8264 12.8291 12.8291 13.3713 13.3713 14.0304 14.0304 14.2249 14.2249 15.3968 15.3968 15.9022 15.9022 15.9144 15.9144 18.0216 18.0216 18.0715 18.0715 18.7534 18.7534 k = 0.0714-0.0412 0.0583 ( 2822 PWs) bands (ev): -34.1111 -34.1111 -13.1019 -13.1019 -12.5961 -12.5961 -12.5957 -12.5957 0.4470 0.4470 0.4482 0.4482 1.2567 1.2567 1.2894 1.2894 1.2899 1.2899 5.8012 5.8012 10.3221 10.3221 10.4439 10.4439 10.6932 10.6932 10.7434 10.7434 10.9334 10.9334 12.8216 12.8216 12.8245 12.8245 13.3605 13.3605 13.9686 13.9686 14.2230 14.2230 15.3844 15.3844 15.8675 15.8675 15.8881 15.8881 17.9861 17.9861 18.0590 18.0590 18.7158 18.7158 k = 0.0816-0.0471 0.0667 ( 2826 PWs) bands (ev): -34.1111 -34.1111 -13.1020 -13.1020 -12.5963 -12.5963 -12.5957 -12.5957 0.4469 0.4469 0.4483 0.4483 1.2567 1.2567 1.2897 1.2897 1.2900 1.2900 5.8275 5.8275 10.2999 10.2999 10.4568 10.4568 10.6978 10.6978 10.7614 10.7614 10.9434 10.9434 12.8160 12.8160 12.8188 12.8188 13.3464 13.3464 13.9038 13.9038 14.2209 14.2209 15.3676 15.3676 15.8292 15.8292 15.8617 15.8617 17.9430 17.9430 18.0447 18.0447 18.6814 18.6814 k = 0.0918-0.0530 0.0750 ( 2826 PWs) bands (ev): -34.1111 -34.1111 -13.1020 -13.1020 -12.5965 -12.5965 -12.5957 -12.5957 0.4468 0.4468 0.4486 0.4486 1.2568 1.2568 1.2899 1.2899 1.2904 1.2904 5.8572 5.8572 10.2756 10.2756 10.4713 10.4713 10.7030 10.7030 10.7812 10.7812 10.9548 10.9548 12.8097 12.8097 12.8114 12.8114 13.3279 13.3279 13.8382 13.8382 14.2185 14.2185 15.3458 15.3458 15.7878 15.7878 15.8361 15.8361 17.8921 17.8921 18.0288 18.0288 18.6512 18.6512 k = 0.1020-0.0589 0.0833 ( 2826 PWs) bands (ev): -34.1111 -34.1111 -13.1021 -13.1021 -12.5967 -12.5967 -12.5958 -12.5958 0.4467 0.4467 0.4489 0.4489 1.2568 1.2568 1.2902 1.2902 1.2908 1.2908 5.8903 5.8903 10.2492 10.2492 10.4873 10.4873 10.7087 10.7087 10.8027 10.8027 10.9675 10.9675 12.8021 12.8021 12.8028 12.8028 13.3040 13.3040 13.7747 13.7747 14.2159 14.2159 15.3189 15.3189 15.7439 15.7439 15.8120 15.8120 17.8334 17.8334 18.0112 18.0112 18.6255 18.6255 k = 0.1122-0.0648 0.0916 ( 2834 PWs) bands (ev): -34.1110 -34.1110 -13.1022 -13.1022 -12.5969 -12.5969 -12.5958 -12.5958 0.4465 0.4465 0.4491 0.4491 1.2568 1.2568 1.2905 1.2905 1.2911 1.2911 5.9267 5.9267 10.2209 10.2209 10.5049 10.5049 10.7151 10.7151 10.8257 10.8257 10.9817 10.9817 12.7902 12.7902 12.7953 12.7953 13.2734 13.2734 13.7160 13.7160 14.2132 14.2132 15.2868 15.2868 15.6979 15.6979 15.7899 15.7899 17.7674 17.7674 17.9920 17.9920 18.6042 18.6042 k = 0.1224-0.0707 0.1000 ( 2834 PWs) bands (ev): -34.1110 -34.1110 -13.1022 -13.1022 -12.5971 -12.5971 -12.5958 -12.5958 0.4464 0.4464 0.4494 0.4494 1.2568 1.2568 1.2909 1.2909 1.2915 1.2915 5.9664 5.9664 10.1908 10.1908 10.5238 10.5238 10.7220 10.7220 10.8502 10.8502 10.9971 10.9971 12.7747 12.7747 12.7871 12.7871 13.2356 13.2356 13.6646 13.6646 14.2103 14.2103 15.2501 15.2501 15.6505 15.6505 15.7698 15.7698 17.6948 17.6948 17.9713 17.9713 18.5869 18.5869 k = 0.1327-0.0766 0.1083 ( 2834 PWs) bands (ev): -34.1110 -34.1110 -13.1023 -13.1023 -12.5973 -12.5973 -12.5959 -12.5959 0.4462 0.4462 0.4497 0.4497 1.2568 1.2568 1.2913 1.2913 1.2919 1.2919 6.0093 6.0093 10.1591 10.1591 10.5441 10.5441 10.7295 10.7295 10.8762 10.8762 11.0138 11.0138 12.7544 12.7544 12.7783 12.7783 13.1914 13.1914 13.6217 13.6217 14.2073 14.2073 15.2093 15.2093 15.6020 15.6020 15.7518 15.7518 17.6163 17.6163 17.9492 17.9492 18.5731 18.5731 k = 0.1429-0.0825 0.1166 ( 2834 PWs) bands (ev): -34.1110 -34.1110 -13.1023 -13.1023 -12.5976 -12.5976 -12.5959 -12.5959 0.4461 0.4461 0.4500 0.4500 1.2568 1.2568 1.2918 1.2918 1.2923 1.2923 6.0554 6.0554 10.1260 10.1260 10.5656 10.5656 10.7376 10.7376 10.9035 10.9035 11.0317 11.0317 12.7276 12.7276 12.7689 12.7689 13.1433 13.1433 13.5872 13.5872 14.2041 14.2041 15.1650 15.1650 15.5528 15.5528 15.7355 15.7355 17.5325 17.5325 17.9258 17.9258 18.5621 18.5621 k = 0.1531-0.0884 0.1250 ( 2846 PWs) bands (ev): -34.1109 -34.1109 -13.1024 -13.1024 -12.5979 -12.5979 -12.5960 -12.5960 0.4459 0.4459 0.4501 0.4501 1.2567 1.2567 1.2923 1.2923 1.2924 1.2924 6.1046 6.1046 10.0915 10.0915 10.5882 10.5882 10.7463 10.7463 10.9322 10.9322 11.0507 11.0507 12.6925 12.6925 12.7590 12.7590 13.0948 13.0948 13.5600 13.5600 14.2009 14.2009 15.1181 15.1181 15.5035 15.5035 15.7206 15.7206 17.4440 17.4440 17.9010 17.9010 18.5534 18.5534 k = 0.1633-0.0943 0.1333 ( 2846 PWs) bands (ev): -34.1109 -34.1109 -13.1025 -13.1025 -12.5982 -12.5982 -12.5960 -12.5960 0.4457 0.4457 0.4505 0.4505 1.2567 1.2567 1.2927 1.2927 1.2928 1.2928 6.1568 6.1568 10.0559 10.0559 10.6116 10.6116 10.7557 10.7557 10.9621 10.9621 11.0708 11.0708 12.6475 12.6475 12.7486 12.7486 13.0499 13.0499 13.5386 13.5386 14.1976 14.1976 15.0693 15.0693 15.4541 15.4541 15.7069 15.7069 17.3515 17.3515 17.8751 17.8751 18.5465 18.5465 k = 0.1735-0.1002 0.1416 ( 2850 PWs) bands (ev): -34.1109 -34.1109 -13.1026 -13.1026 -12.5985 -12.5985 -12.5961 -12.5961 0.4455 0.4455 0.4507 0.4507 1.2566 1.2566 1.2931 1.2931 1.2934 1.2934 6.2119 6.2119 10.0192 10.0192 10.6358 10.6358 10.7658 10.7658 10.9930 10.9930 11.0919 11.0919 12.5922 12.5922 12.7378 12.7378 13.0108 13.0108 13.5215 13.5215 14.1942 14.1942 15.0192 15.0192 15.4052 15.4052 15.6940 15.6940 17.2553 17.2553 17.8481 17.8481 18.5409 18.5409 k = 0.1837-0.1060 0.1500 ( 2850 PWs) bands (ev): -34.1108 -34.1108 -13.1026 -13.1026 -12.5987 -12.5987 -12.5961 -12.5961 0.4452 0.4452 0.4510 0.4510 1.2565 1.2565 1.2934 1.2934 1.2940 1.2940 6.2700 6.2700 9.9818 9.9818 10.6604 10.6604 10.7767 10.7767 11.0250 11.0250 11.1138 11.1138 12.5276 12.5276 12.7265 12.7265 12.9783 12.9783 13.5075 13.5075 14.1908 14.1908 14.9684 14.9684 15.3568 15.3568 15.6817 15.6817 17.1559 17.1559 17.8201 17.8201 18.5363 18.5363 k = 0.1939-0.1119 0.1583 ( 2858 PWs) bands (ev): -34.1108 -34.1108 -13.1027 -13.1027 -12.5990 -12.5990 -12.5962 -12.5962 0.4449 0.4449 0.4513 0.4513 1.2563 1.2563 1.2936 1.2936 1.2946 1.2946 6.3307 6.3307 9.9437 9.9437 10.6850 10.6850 10.7887 10.7887 11.0577 11.0577 11.1367 11.1367 12.4557 12.4557 12.7148 12.7148 12.9515 12.9515 13.4958 13.4958 14.1875 14.1875 14.9173 14.9173 15.3093 15.3093 15.6698 15.6698 17.0537 17.0537 17.7913 17.7913 18.5324 18.5324 k = 0.2041-0.1178 0.1666 ( 2858 PWs) bands (ev): -34.1107 -34.1107 -13.1028 -13.1028 -12.5993 -12.5993 -12.5962 -12.5962 0.4447 0.4447 0.4515 0.4515 1.2562 1.2562 1.2939 1.2939 1.2952 1.2952 6.3941 6.3941 9.9051 9.9051 10.7091 10.7091 10.8021 10.8021 11.0908 11.0908 11.1606 11.1606 12.3792 12.3792 12.7027 12.7027 12.9290 12.9290 13.4858 13.4858 14.1841 14.1841 14.8666 14.8666 15.2627 15.2627 15.6582 15.6582 16.9490 16.9490 17.7617 17.7617 18.5289 18.5289 k = 0.2143-0.1237 0.1750 ( 2874 PWs) bands (ev): -34.1107 -34.1107 -13.1029 -13.1029 -12.5997 -12.5997 -12.5963 -12.5963 0.4443 0.4443 0.4516 0.4516 1.2559 1.2559 1.2939 1.2939 1.2958 1.2958 6.4601 6.4601 9.8662 9.8662 10.7320 10.7320 10.8171 10.8171 11.1240 11.1240 11.1855 11.1855 12.3001 12.3001 12.6902 12.6902 12.9096 12.9096 13.4770 13.4770 14.1808 14.1808 14.8164 14.8164 15.2174 15.2174 15.6468 15.6468 16.8422 16.8422 17.7314 17.7314 18.5258 18.5258 k = 0.2245-0.1296 0.1833 ( 2874 PWs) bands (ev): -34.1107 -34.1107 -13.1030 -13.1030 -12.5999 -12.5999 -12.5964 -12.5964 0.4440 0.4440 0.4519 0.4519 1.2558 1.2558 1.2941 1.2941 1.2965 1.2965 6.5285 6.5285 9.8271 9.8271 10.7533 10.7533 10.8340 10.8340 11.1566 11.1566 11.2120 11.2120 12.2204 12.2204 12.6775 12.6775 12.8922 12.8922 13.4693 13.4693 14.1776 14.1776 14.7672 14.7672 15.1734 15.1734 15.6355 15.6355 16.7336 16.7336 17.7006 17.7006 18.5227 18.5227 k = 0.2347-0.1355 0.1916 ( 2866 PWs) bands (ev): -34.1106 -34.1106 -13.1030 -13.1030 -12.6002 -12.6002 -12.5964 -12.5964 0.4438 0.4438 0.4522 0.4522 1.2557 1.2557 1.2943 1.2943 1.2973 1.2973 6.5991 6.5991 9.7879 9.7879 10.7725 10.7725 10.8530 10.8530 11.1879 11.1879 11.2405 11.2405 12.1414 12.1414 12.6645 12.6645 12.8759 12.8759 13.4624 13.4624 14.1745 14.1745 14.7193 14.7193 15.1308 15.1308 15.6244 15.6244 16.6237 16.6237 17.6694 17.6694 18.5197 18.5197 k = 0.2449-0.1414 0.2000 ( 2858 PWs) bands (ev): -34.1106 -34.1106 -13.1030 -13.1030 -12.6004 -12.6004 -12.5965 -12.5965 0.4435 0.4435 0.4525 0.4525 1.2556 1.2556 1.2945 1.2945 1.2981 1.2981 6.6719 6.6719 9.7489 9.7489 10.7895 10.7895 10.8735 10.8735 11.2171 11.2171 11.2715 11.2715 12.0646 12.0646 12.6512 12.6512 12.8601 12.8601 13.4561 13.4561 14.1716 14.1716 14.6728 14.6728 15.0898 15.0898 15.6133 15.6133 16.5129 16.5129 17.6379 17.6379 18.5167 18.5167 k = 0.2551-0.1473 0.2083 ( 2858 PWs) bands (ev): -34.1106 -34.1106 -13.1031 -13.1031 -12.6007 -12.6007 -12.5965 -12.5965 0.4432 0.4432 0.4527 0.4527 1.2554 1.2554 1.2945 1.2945 1.2989 1.2989 6.7467 6.7467 9.7101 9.7101 10.8047 10.8047 10.8947 10.8947 11.2441 11.2441 11.3048 11.3048 11.9911 11.9911 12.6376 12.6376 12.8445 12.8445 13.4504 13.4504 14.1688 14.1688 14.6278 14.6278 15.0502 15.0502 15.6022 15.6022 16.4015 16.4015 17.6063 17.6063 18.5136 18.5136 k = 0.2653-0.1532 0.2166 ( 2862 PWs) bands (ev): -34.1105 -34.1105 -13.1032 -13.1032 -12.6010 -12.6010 -12.5966 -12.5966 0.4428 0.4428 0.4528 0.4528 1.2552 1.2552 1.2944 1.2944 1.2996 1.2996 6.8232 6.8232 9.6717 9.6717 10.8185 10.8185 10.9153 10.9153 11.2689 11.2689 11.3399 11.3399 11.9220 11.9220 12.6238 12.6238 12.8287 12.8287 13.4451 13.4451 14.1662 14.1662 14.5847 14.5847 15.0123 15.0123 15.5912 15.5912 16.2901 16.2901 17.5746 17.5746 18.5104 18.5104 k = 0.2755-0.1591 0.2250 ( 2862 PWs) bands (ev): -34.1105 -34.1105 -13.1032 -13.1032 -12.6013 -12.6013 -12.5966 -12.5966 0.4425 0.4425 0.4529 0.4529 1.2549 1.2549 1.2943 1.2943 1.3004 1.3004 6.9014 6.9014 9.6338 9.6338 10.8312 10.8312 10.9340 10.9340 11.2922 11.2922 11.3761 11.3761 11.8587 11.8587 12.6098 12.6098 12.8125 12.8125 13.4403 13.4403 14.1638 14.1638 14.5434 14.5434 14.9760 14.9760 15.5803 15.5803 16.1791 16.1791 17.5430 17.5430 18.5072 18.5072 k = 0.2857-0.1650 0.2333 ( 2862 PWs) bands (ev): -34.1104 -34.1104 -13.1033 -13.1033 -12.6015 -12.6015 -12.5967 -12.5967 0.4422 0.4422 0.4530 0.4530 1.2547 1.2547 1.2942 1.2942 1.3012 1.3012 6.9809 6.9809 9.5965 9.5965 10.8432 10.8432 10.9497 10.9497 11.3140 11.3140 11.4129 11.4129 11.8023 11.8023 12.5954 12.5954 12.7957 12.7957 13.4359 13.4359 14.1616 14.1616 14.5042 14.5042 14.9414 14.9414 15.5695 15.5695 16.0690 16.0690 17.5117 17.5117 18.5038 18.5038 k = 0.2959-0.1708 0.2416 ( 2862 PWs) bands (ev): -34.1104 -34.1104 -13.1033 -13.1033 -12.6018 -12.6018 -12.5967 -12.5967 0.4419 0.4419 0.4530 0.4530 1.2545 1.2545 1.2940 1.2940 1.3020 1.3020 7.0616 7.0616 9.5599 9.5599 10.8546 10.8546 10.9609 10.9609 11.3346 11.3346 11.4497 11.4497 11.7542 11.7542 12.5809 12.5809 12.7781 12.7781 13.4318 13.4318 14.1598 14.1598 14.4670 14.4670 14.9084 14.9084 15.5589 15.5589 15.9603 15.9603 17.4807 17.4807 18.5004 18.5004 k = 0.3061-0.1767 0.2499 ( 2866 PWs) bands (ev): -34.1104 -34.1104 -13.1034 -13.1034 -12.6020 -12.6020 -12.5968 -12.5968 0.4415 0.4415 0.4530 0.4530 1.2542 1.2542 1.2937 1.2937 1.3028 1.3028 7.1433 7.1433 9.5240 9.5240 10.8654 10.8654 10.9663 10.9663 11.3540 11.3540 11.4860 11.4860 11.7156 11.7156 12.5661 12.5661 12.7597 12.7597 13.4281 13.4281 14.1583 14.1583 14.4319 14.4319 14.8769 14.8769 15.5484 15.5484 15.8536 15.8536 17.4501 17.4501 18.4969 18.4969 k = 0.3163-0.1826 0.2583 ( 2858 PWs) bands (ev): -34.1103 -34.1103 -13.1034 -13.1034 -12.6022 -12.6022 -12.5968 -12.5968 0.4412 0.4412 0.4531 0.4531 1.2540 1.2540 1.2936 1.2936 1.3036 1.3036 7.2256 7.2256 9.4891 9.4891 10.8758 10.8758 10.9650 10.9650 11.3724 11.3724 11.5216 11.5216 11.6877 11.6877 12.5512 12.5512 12.7405 12.7405 13.4247 13.4247 14.1571 14.1571 14.3990 14.3990 14.8470 14.8470 15.5381 15.5381 15.7495 15.7495 17.4202 17.4202 18.4935 18.4935 k = 0.3265-0.1885 0.2666 ( 2854 PWs) bands (ev): -34.1103 -34.1103 -13.1034 -13.1034 -12.6024 -12.6024 -12.5969 -12.5969 0.4409 0.4409 0.4532 0.4532 1.2538 1.2538 1.2934 1.2934 1.3044 1.3044 7.3082 7.3082 9.4550 9.4550 10.8857 10.8857 10.9565 10.9565 11.3897 11.3897 11.5560 11.5560 11.6707 11.6707 12.5360 12.5360 12.7203 12.7203 13.4217 13.4217 14.1564 14.1564 14.3682 14.3682 14.8185 14.8185 15.5280 15.5280 15.6485 15.6485 17.3911 17.3911 18.4900 18.4900 k = 0.3367-0.1944 0.2749 ( 2854 PWs) bands (ev): -34.1103 -34.1103 -13.1035 -13.1035 -12.6026 -12.6026 -12.5969 -12.5969 0.4405 0.4405 0.4532 0.4532 1.2535 1.2535 1.2931 1.2931 1.3051 1.3051 7.3908 7.3908 9.4220 9.4220 10.8951 10.8951 10.9412 10.9412 11.4060 11.4060 11.5888 11.5888 11.6644 11.6644 12.5209 12.5209 12.6991 12.6991 13.4189 13.4189 14.1560 14.1560 14.3396 14.3396 14.7914 14.7914 15.5183 15.5183 15.5512 15.5512 17.3628 17.3628 18.4866 18.4866 k = 0.3469-0.2003 0.2833 ( 2854 PWs) bands (ev): -34.1102 -34.1102 -13.1035 -13.1035 -12.6028 -12.6028 -12.5970 -12.5970 0.4402 0.4402 0.4531 0.4531 1.2533 1.2533 1.2927 1.2927 1.3059 1.3059 7.4731 7.4731 9.3899 9.3899 10.9034 10.9034 10.9208 10.9208 11.4212 11.4212 11.6196 11.6196 11.6677 11.6677 12.5058 12.5058 12.6770 12.6770 13.4164 13.4164 14.1562 14.1562 14.3131 14.3131 14.7655 14.7655 15.4581 15.4581 15.5088 15.5088 17.3355 17.3355 18.4833 18.4833 k = 0.3571-0.2062 0.2916 ( 2862 PWs) bands (ev): -34.1102 -34.1102 -13.1036 -13.1036 -12.6031 -12.6031 -12.5970 -12.5970 0.4399 0.4399 0.4530 0.4530 1.2530 1.2530 1.2923 1.2923 1.3065 1.3065 7.5547 7.5547 9.3590 9.3590 10.8927 10.8927 10.9143 10.9143 11.4355 11.4355 11.6479 11.6479 11.6792 11.6792 12.4910 12.4910 12.6539 12.6539 13.4142 13.4142 14.1569 14.1569 14.2886 14.2886 14.7406 14.7406 15.3698 15.3698 15.4997 15.4997 17.3093 17.3093 18.4801 18.4801 k = 0.3673-0.2121 0.2999 ( 2862 PWs) bands (ev): -34.1102 -34.1102 -13.1036 -13.1036 -12.6032 -12.6032 -12.5971 -12.5971 0.4395 0.4395 0.4529 0.4529 1.2527 1.2527 1.2920 1.2920 1.3071 1.3071 7.6351 7.6351 9.3292 9.3292 10.8647 10.8647 10.9219 10.9219 11.4489 11.4489 11.6734 11.6734 11.6973 11.6973 12.4767 12.4767 12.6300 12.6300 13.4123 13.4123 14.1582 14.1582 14.2662 14.2662 14.7165 14.7165 15.2870 15.2870 15.4911 15.4911 17.2843 17.2843 18.4769 18.4769 k = 0.3776-0.2180 0.3083 ( 2862 PWs) bands (ev): -34.1101 -34.1101 -13.1036 -13.1036 -12.6034 -12.6034 -12.5971 -12.5971 0.4393 0.4393 0.4528 0.4528 1.2525 1.2525 1.2915 1.2915 1.3078 1.3078 7.7139 7.7139 9.3005 9.3005 10.8346 10.8346 10.9295 10.9295 11.4615 11.4615 11.6956 11.6956 11.7206 11.7206 12.4631 12.4631 12.6052 12.6052 13.4106 13.4106 14.1601 14.1601 14.2458 14.2458 14.6931 14.6931 15.2101 15.2101 15.4828 15.4828 17.2607 17.2607 18.4720 18.4721 k = 0.3878-0.2239 0.3166 ( 2862 PWs) bands (ev): -34.1101 -34.1101 -13.1037 -13.1037 -12.6036 -12.6036 -12.5971 -12.5971 0.4390 0.4390 0.4527 0.4527 1.2523 1.2523 1.2911 1.2911 1.3084 1.3084 7.7906 7.7906 9.2730 9.2730 10.8041 10.8041 10.9367 10.9367 11.4733 11.4733 11.7140 11.7140 11.7476 11.7476 12.4507 12.4507 12.5796 12.5796 13.4091 13.4091 14.1627 14.1627 14.2273 14.2273 14.6699 14.6699 15.1397 15.1397 15.4751 15.4751 17.2385 17.2385 18.4124 18.4141 k = 0.3980-0.2298 0.3249 ( 2858 PWs) bands (ev): -34.1101 -34.1101 -13.1037 -13.1037 -12.6037 -12.6037 -12.5972 -12.5972 0.4388 0.4388 0.4527 0.4527 1.2521 1.2521 1.2908 1.2908 1.3090 1.3090 7.8646 7.8646 9.2468 9.2468 10.7742 10.7742 10.9433 10.9433 11.4846 11.4846 11.7284 11.7284 11.7774 11.7774 12.4397 12.4397 12.5534 12.5534 13.4078 13.4078 14.1660 14.1660 14.2107 14.2107 14.6469 14.6469 15.0762 15.0762 15.4679 15.4679 17.2179 17.2179 18.3507 18.3512 k = 0.4082-0.2357 0.3333 ( 2866 PWs) bands (ev): -34.1101 -34.1101 -13.1037 -13.1037 -12.6038 -12.6038 -12.5972 -12.5972 0.4384 0.4384 0.4525 0.4525 1.2519 1.2519 1.2904 1.2904 1.3093 1.3093 7.9353 7.9353 9.2219 9.2219 10.7456 10.7456 10.9494 10.9494 11.4953 11.4953 11.7386 11.7386 11.8090 11.8090 12.4304 12.4304 12.5266 12.5266 13.4067 13.4067 14.1699 14.1699 14.1959 14.1959 14.6237 14.6237 15.0200 15.0200 15.4613 15.4613 17.1988 17.1988 18.2899 18.2956 k = 0.4184-0.2415 0.3416 ( 2866 PWs) bands (ev): -34.1101 -34.1101 -13.1037 -13.1037 -12.6039 -12.6039 -12.5972 -12.5972 0.4382 0.4382 0.4524 0.4524 1.2517 1.2517 1.2901 1.2901 1.3098 1.3098 8.0020 8.0020 9.1983 9.1983 10.7190 10.7190 10.9549 10.9549 11.5055 11.5055 11.7447 11.7447 11.8417 11.8417 12.4228 12.4228 12.4995 12.4995 13.4058 13.4058 14.1745 14.1745 14.1828 14.1828 14.6002 14.6002 14.9713 14.9713 15.4552 15.4552 17.1816 17.1816 18.2349 18.2349 k = 0.4286-0.2474 0.3499 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6040 -12.6040 -12.5973 -12.5973 0.4380 0.4380 0.4524 0.4524 1.2516 1.2516 1.2898 1.2898 1.3102 1.3102 8.0640 8.0640 9.1763 9.1763 10.6948 10.6948 10.9599 10.9599 11.5154 11.5154 11.7468 11.7468 11.8747 11.8747 12.4172 12.4172 12.4722 12.4722 13.4050 13.4050 14.1714 14.1714 14.1798 14.1798 14.5767 14.5767 14.9301 14.9301 15.4498 15.4498 17.1662 17.1662 18.1858 18.1858 k = 0.4388-0.2533 0.3583 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6041 -12.6041 -12.5973 -12.5973 0.4378 0.4378 0.4523 0.4523 1.2515 1.2515 1.2895 1.2895 1.3105 1.3105 8.1205 8.1205 9.1560 9.1560 10.6732 10.6732 10.9642 10.9642 11.5249 11.5249 11.7455 11.7455 11.9073 11.9073 12.4132 12.4132 12.4451 12.4451 13.4043 13.4043 14.1616 14.1616 14.1856 14.1856 14.5535 14.5535 14.8962 14.8962 15.4450 15.4450 17.1527 17.1527 18.1428 18.1428 k = 0.4490-0.2592 0.3666 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6042 -12.6042 -12.5973 -12.5973 0.4377 0.4377 0.4522 0.4522 1.2514 1.2514 1.2892 1.2892 1.3109 1.3109 8.1706 8.1706 9.1377 9.1377 10.6546 10.6546 10.9679 10.9679 11.5339 11.5339 11.7416 11.7416 11.9388 11.9388 12.4108 12.4108 12.4188 12.4188 13.4038 13.4038 14.1534 14.1534 14.1917 14.1917 14.5312 14.5312 14.8691 14.8691 15.4410 15.4410 17.1411 17.1411 18.1060 18.1060 k = 0.4592-0.2651 0.3749 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6043 -12.6043 -12.5973 -12.5973 0.4375 0.4375 0.4521 0.4521 1.2511 1.2511 1.2891 1.2891 1.3111 1.3111 8.2135 8.2135 9.1218 9.1218 10.6392 10.6392 10.9709 10.9709 11.5422 11.5422 11.7359 11.7359 11.9681 11.9681 12.3940 12.3940 12.4094 12.4094 13.4034 13.4034 14.1468 14.1468 14.1978 14.1978 14.5109 14.5109 14.8481 14.8481 15.4376 15.4376 17.1316 17.1316 18.0757 18.0758 k = 0.4694-0.2710 0.3833 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6043 -12.6043 -12.5973 -12.5973 0.4374 0.4374 0.4520 0.4520 1.2511 1.2511 1.2888 1.2888 1.3113 1.3113 8.2480 8.2480 9.1087 9.1087 10.6271 10.6271 10.9733 10.9733 11.5496 11.5496 11.7296 11.7296 11.9940 11.9940 12.3717 12.3717 12.4089 12.4089 13.4031 13.4031 14.1417 14.1417 14.2034 14.2034 14.4933 14.4933 14.8326 14.8326 15.4350 15.4350 17.1242 17.1242 18.0520 18.0520 k = 0.4796-0.2769 0.3916 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6044 -12.6044 -12.5974 -12.5974 0.4373 0.4373 0.4519 0.4519 1.2510 1.2510 1.2886 1.2886 1.3115 1.3115 8.2736 8.2736 9.0989 9.0989 10.6184 10.6184 10.9750 10.9750 11.5556 11.5556 11.7239 11.7239 12.0149 12.0149 12.3535 12.3535 12.4088 12.4088 13.4028 13.4028 14.1380 14.1380 14.2081 14.2081 14.4798 14.4798 14.8219 14.8219 15.4331 15.4331 17.1188 17.1188 18.0351 18.0351 k = 0.4898-0.2828 0.3999 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6044 -12.6044 -12.5974 -12.5974 0.4373 0.4373 0.4519 0.4519 1.2510 1.2510 1.2886 1.2886 1.3116 1.3116 8.2892 8.2892 9.0928 9.0928 10.6131 10.6131 10.9760 10.9760 11.5595 11.5595 11.7199 11.7199 12.0287 12.0287 12.3414 12.3414 12.4089 12.4089 13.4027 13.4027 14.1359 14.1359 14.2112 14.2112 14.4712 14.4712 14.8157 14.8157 15.4320 15.4320 17.1156 17.1156 18.0248 18.0248 k = 0.5000-0.2887 0.4082 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6044 -12.6044 -12.5974 -12.5974 0.4373 0.4373 0.4519 0.4519 1.2510 1.2510 1.2885 1.2885 1.3116 1.3116 8.2945 8.2945 9.0907 9.0907 10.6113 10.6113 10.9764 10.9764 11.5608 11.5608 11.7185 11.7185 12.0335 12.0335 12.3370 12.3370 12.4089 12.4089 13.4027 13.4027 14.1351 14.1351 14.2124 14.2124 14.4682 14.4682 14.8137 14.8137 15.4316 15.4316 17.1145 17.1145 18.0214 18.0214 k = 0.5000-0.2887 0.4082 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6044 -12.6044 -12.5974 -12.5974 0.4373 0.4373 0.4519 0.4519 1.2510 1.2510 1.2885 1.2885 1.3116 1.3116 8.2945 8.2945 9.0907 9.0907 10.6113 10.6113 10.9764 10.9764 11.5608 11.5608 11.7185 11.7185 12.0335 12.0335 12.3370 12.3370 12.4089 12.4089 13.4027 13.4027 14.1351 14.1351 14.2124 14.2124 14.4682 14.4682 14.8137 14.8137 15.4316 15.4316 17.1145 17.1145 18.0214 18.0214 k = 0.5000-0.2771 0.4164 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6044 -12.6044 -12.5974 -12.5974 0.4373 0.4373 0.4519 0.4519 1.2510 1.2510 1.2886 1.2886 1.3116 1.3116 8.2948 8.2948 9.0922 9.0922 10.6098 10.6098 10.9770 10.9770 11.5550 11.5550 11.7236 11.7236 12.0337 12.0337 12.3376 12.3376 12.4103 12.4103 13.4018 13.4018 14.0919 14.0919 14.2427 14.2427 14.4700 14.4700 14.8133 14.8133 15.4405 15.4405 17.1169 17.1169 18.0211 18.0211 k = 0.5000-0.2656 0.4246 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6044 -12.6044 -12.5974 -12.5974 0.4374 0.4374 0.4519 0.4519 1.2510 1.2510 1.2886 1.2886 1.3115 1.3115 8.2958 8.2958 9.0968 9.0968 10.6052 10.6052 10.9788 10.9788 11.5396 11.5396 11.7367 11.7367 12.0346 12.0346 12.3393 12.3393 12.4145 12.4145 13.3993 13.3993 14.0163 14.0163 14.2784 14.2784 14.4772 14.4772 14.8122 14.8122 15.4666 15.4666 17.1240 17.1240 18.0199 18.0199 k = 0.5000-0.2540 0.4327 ( 2880 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6044 -12.6044 -12.5974 -12.5974 0.4374 0.4374 0.4518 0.4518 1.2511 1.2511 1.2886 1.2886 1.3113 1.3113 8.2974 8.2974 9.1045 9.1045 10.5975 10.5975 10.9817 10.9817 11.5183 11.5183 11.7537 11.7537 12.0365 12.0365 12.3418 12.3418 12.4213 12.4213 13.3952 13.3952 13.9311 13.9311 14.2953 14.2953 14.4926 14.4926 14.8107 14.8107 15.5086 15.5086 17.1357 17.1357 18.0172 18.0172 k = 0.5000-0.2425 0.4409 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6043 -12.6043 -12.5975 -12.5975 0.4376 0.4376 0.4518 0.4518 1.2513 1.2513 1.2888 1.2888 1.3113 1.3113 8.2997 8.2997 9.1152 9.1152 10.5870 10.5870 10.9857 10.9857 11.4941 11.4941 11.7713 11.7713 12.0405 12.0405 12.3449 12.3449 12.4309 12.4309 13.3894 13.3894 13.8405 13.8405 14.2921 14.2921 14.5154 14.5154 14.8092 14.8092 15.5644 15.5644 17.1517 17.1517 18.0121 18.0121 k = 0.5000-0.2309 0.4491 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6043 -12.6043 -12.5975 -12.5975 0.4378 0.4378 0.4518 0.4518 1.2515 1.2515 1.2889 1.2889 1.3111 1.3111 8.3025 8.3025 9.1289 9.1289 10.5737 10.5737 10.9906 10.9906 11.4686 11.4686 11.7872 11.7872 12.0474 12.0474 12.3483 12.3483 12.4428 12.4428 13.3818 13.3818 13.7470 13.7470 14.2737 14.2737 14.5408 14.5408 14.8081 14.8081 15.6316 15.6316 17.1715 17.1715 18.0038 18.0038 k = 0.5000-0.2194 0.4572 ( 2864 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6042 -12.6042 -12.5976 -12.5976 0.4382 0.4382 0.4518 0.4518 1.2519 1.2519 1.2892 1.2892 1.3110 1.3110 8.3059 8.3059 9.1456 9.1456 10.5577 10.5577 10.9962 10.9962 11.4429 11.4429 11.7998 11.7998 12.0580 12.0580 12.3518 12.3518 12.4570 12.4570 13.3722 13.3722 13.6525 13.6525 14.2448 14.2448 14.5653 14.5653 14.8075 14.8075 15.7078 15.7078 17.1949 17.1949 17.9922 17.9922 k = 0.5000-0.2078 0.4654 ( 2868 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6042 -12.6042 -12.5977 -12.5977 0.4384 0.4384 0.4517 0.4517 1.2521 1.2521 1.2894 1.2894 1.3108 1.3108 8.3097 8.3097 9.1651 9.1651 10.5393 10.5393 11.0023 11.0023 11.4177 11.4177 11.8083 11.8083 12.0727 12.0727 12.3552 12.3552 12.4729 12.4729 13.3599 13.3599 13.5592 13.5592 14.2088 14.2088 14.5872 14.5872 14.8076 14.8076 15.7907 15.7907 17.2214 17.2214 17.9772 17.9772 k = 0.5000-0.1963 0.4736 ( 2868 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6041 -12.6041 -12.5978 -12.5978 0.4387 0.4387 0.4516 0.4516 1.2524 1.2524 1.2896 1.2896 1.3105 1.3105 8.3141 8.3141 9.1874 9.1874 10.5184 10.5184 11.0088 11.0088 11.3935 11.3935 11.8126 11.8126 12.0914 12.0914 12.3584 12.3584 12.4903 12.4903 13.3423 13.3423 13.4711 13.4711 14.1675 14.1675 14.6059 14.6059 14.8083 14.8083 15.8785 15.8785 17.2504 17.2504 17.9592 17.9592 k = 0.5000-0.1848 0.4817 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6040 -12.6040 -12.5979 -12.5979 0.4390 0.4390 0.4515 0.4515 1.2527 1.2527 1.2899 1.2899 1.3102 1.3102 8.3188 8.3188 9.2125 9.2125 10.4953 10.4953 11.0154 11.0154 11.3708 11.3708 11.8130 11.8130 12.1135 12.1135 12.3613 12.3613 12.5087 12.5087 13.3095 13.3095 13.3993 13.3993 14.1222 14.1222 14.6216 14.6216 14.8097 14.8097 15.9695 15.9695 17.2815 17.2815 17.9383 17.9383 k = 0.5000-0.1732 0.4899 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6040 -12.6040 -12.5980 -12.5980 0.4393 0.4393 0.4514 0.4514 1.2530 1.2530 1.2902 1.2902 1.3098 1.3098 8.3238 8.3238 9.2402 9.2402 10.4700 10.4700 11.0219 11.0219 11.3501 11.3501 11.8102 11.8102 12.1382 12.1382 12.3637 12.3637 12.5277 12.5277 13.2471 13.2471 13.3595 13.3595 14.0740 14.0740 14.6346 14.6346 14.8117 14.8117 16.0623 16.0623 17.3144 17.3144 17.9148 17.9148 k = 0.5000-0.1617 0.4981 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6038 -12.6038 -12.5981 -12.5981 0.4398 0.4398 0.4513 0.4513 1.2534 1.2534 1.2905 1.2905 1.3095 1.3095 8.3291 8.3291 9.2705 9.2705 10.4427 10.4427 11.0279 11.0279 11.3320 11.3320 11.8047 11.8047 12.1645 12.1645 12.3653 12.3653 12.5469 12.5469 13.1704 13.1704 13.3378 13.3378 14.0237 14.0237 14.6453 14.6453 14.8142 14.8142 16.1559 16.1559 17.3485 17.3485 17.8886 17.8886 k = 0.5000-0.1501 0.5062 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6038 -12.6038 -12.5982 -12.5982 0.4402 0.4402 0.4512 0.4512 1.2538 1.2538 1.2909 1.2909 1.3091 1.3091 8.3345 8.3345 9.3031 9.3031 10.4133 10.4133 11.0330 11.0330 11.3169 11.3169 11.7969 11.7969 12.1916 12.1916 12.3659 12.3659 12.5660 12.5660 13.0940 13.0940 13.3211 13.3211 13.9720 13.9720 14.6541 14.6541 14.8171 14.8171 16.2494 16.2494 17.3835 17.3835 17.8600 17.8600 k = 0.5000-0.1386 0.5144 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6037 -12.6037 -12.5984 -12.5984 0.4406 0.4406 0.4510 0.4510 1.2541 1.2541 1.2912 1.2912 1.3087 1.3087 8.3400 8.3400 9.3380 9.3380 10.3821 10.3821 11.0369 11.0369 11.3057 11.3057 11.7869 11.7869 12.2189 12.2189 12.3649 12.3649 12.5842 12.5842 13.0230 13.0230 13.3060 13.3060 13.9195 13.9195 14.6613 14.6613 14.8202 14.8202 16.3420 16.3420 17.4190 17.4190 17.8289 17.8289 k = 0.5000-0.1270 0.5226 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6035 -12.6035 -12.5985 -12.5985 0.4411 0.4411 0.4509 0.4509 1.2545 1.2545 1.2917 1.2917 1.3085 1.3085 8.3455 8.3455 9.3750 9.3750 10.3491 10.3491 11.0390 11.0390 11.2987 11.2987 11.7749 11.7749 12.2457 12.2457 12.3619 12.3619 12.6009 12.6009 12.9603 12.9603 13.2916 13.2916 13.8667 13.8667 14.6671 14.6671 14.8235 14.8235 16.4331 16.4331 17.4549 17.4549 17.7954 17.7954 k = 0.5000-0.1155 0.5307 ( 2868 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4415 0.4415 0.4507 0.4507 1.2548 1.2548 1.2921 1.2921 1.3080 1.3080 8.3509 8.3509 9.4139 9.4139 10.3143 10.3143 11.0392 11.0392 11.2965 11.2965 11.7607 11.7607 12.2715 12.2715 12.3565 12.3565 12.6148 12.6148 12.9084 12.9084 13.2778 13.2778 13.8144 13.8144 14.6718 14.6718 14.8268 14.8268 16.5224 16.5224 17.4906 17.4906 17.7595 17.7595 k = 0.5000-0.1039 0.5389 ( 2864 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6033 -12.6033 -12.5987 -12.5987 0.4420 0.4420 0.4506 0.4506 1.2552 1.2552 1.2926 1.2926 1.3076 1.3076 8.3561 8.3561 9.4545 9.4545 10.2779 10.2779 11.0375 11.0375 11.2993 11.2993 11.7443 11.7443 12.2957 12.2957 12.3483 12.3483 12.6246 12.6246 12.8696 12.8696 13.2648 13.2648 13.7629 13.7629 14.6757 14.6757 14.8301 14.8301 16.6095 16.6095 17.5259 17.5259 17.7214 17.7214 k = 0.5000-0.0924 0.5471 ( 2862 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6032 -12.6032 -12.5989 -12.5989 0.4425 0.4425 0.4504 0.4504 1.2556 1.2556 1.2930 1.2930 1.3072 1.3072 8.3611 8.3611 9.4966 9.4966 10.2400 10.2400 11.0340 11.0340 11.3070 11.3070 11.7254 11.7254 12.3175 12.3175 12.3378 12.3378 12.6292 12.6292 12.8456 12.8456 13.2526 13.2526 13.7130 13.7130 14.6788 14.6788 14.8332 14.8332 16.6942 16.6942 17.5605 17.5605 17.6809 17.6809 k = 0.5000-0.0808 0.5552 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6031 -12.6031 -12.5990 -12.5990 0.4429 0.4429 0.4501 0.4501 1.2558 1.2558 1.2935 1.2935 1.3067 1.3067 8.3657 8.3657 9.5400 9.5400 10.2007 10.2007 11.0294 11.0294 11.3191 11.3191 11.7040 11.7040 12.3215 12.3215 12.3401 12.3401 12.6289 12.6289 12.8357 12.8357 13.2414 13.2414 13.6651 13.6651 14.6813 14.6813 14.8361 14.8361 16.7762 16.7762 17.5940 17.5940 17.6381 17.6381 k = 0.5000-0.0693 0.5634 ( 2868 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6030 -12.6030 -12.5991 -12.5991 0.4433 0.4433 0.4499 0.4499 1.2560 1.2560 1.2939 1.2939 1.3063 1.3063 8.3699 8.3699 9.5844 9.5844 10.1601 10.1601 11.0240 11.0240 11.3353 11.3353 11.6802 11.6802 12.3070 12.3070 12.3572 12.3572 12.6255 12.6255 12.8368 12.8368 13.2316 13.2316 13.6201 13.6201 14.6834 14.6834 14.8388 14.8388 16.8554 16.8554 17.5929 17.5929 17.6261 17.6261 k = 0.5000-0.0577 0.5715 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6029 -12.6029 -12.5993 -12.5993 0.4437 0.4437 0.4496 0.4496 1.2562 1.2562 1.2943 1.2943 1.3058 1.3058 8.3735 8.3735 9.6293 9.6293 10.1186 10.1186 11.0186 11.0186 11.3549 11.3549 11.6540 11.6540 12.2916 12.2916 12.3721 12.3721 12.6215 12.6215 12.8447 12.8447 13.2232 13.2232 13.5787 13.5787 14.6850 14.6850 14.8411 14.8411 16.9318 16.9318 17.5454 17.5454 17.6559 17.6559 k = 0.5000-0.0462 0.5797 ( 2868 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6028 -12.6028 -12.5994 -12.5994 0.4441 0.4441 0.4494 0.4494 1.2564 1.2564 1.2947 1.2947 1.3054 1.3054 8.3766 8.3766 9.6743 9.6743 10.0767 10.0767 11.0136 11.0136 11.3775 11.3775 11.6259 11.6259 12.2772 12.2772 12.3845 12.3845 12.6181 12.6181 12.8559 12.8559 13.2166 13.2166 13.5420 13.5420 14.6862 14.6862 14.8431 14.8431 17.0054 17.0054 17.4956 17.4956 17.6829 17.6829 k = 0.5000-0.0346 0.5879 ( 2856 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6028 -12.6028 -12.5994 -12.5994 0.4446 0.4446 0.4493 0.4493 1.2567 1.2567 1.2950 1.2950 1.3053 1.3053 8.3791 8.3791 9.7184 9.7184 10.0350 10.0350 11.0093 11.0093 11.4023 11.4023 11.5966 11.5966 12.2651 12.2651 12.3941 12.3941 12.6158 12.6158 12.8674 12.8674 13.2117 13.2117 13.5113 13.5113 14.6871 14.6871 14.8446 14.8446 17.0762 17.0762 17.4434 17.4434 17.7060 17.7061 k = 0.5000-0.0231 0.5960 ( 2856 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5995 -12.5995 0.4448 0.4448 0.4492 0.4492 1.2568 1.2568 1.2953 1.2953 1.3050 1.3050 8.3809 8.3809 9.7601 9.7601 9.9951 9.9951 11.0060 11.0060 11.4284 11.4284 11.5671 11.5671 12.2559 12.2559 12.4009 12.4009 12.6145 12.6145 12.8773 12.8773 13.2085 13.2085 13.4878 13.4878 14.6878 14.6878 14.8458 14.8458 17.1440 17.1440 17.3888 17.3888 17.7241 17.7241 k = 0.5000-0.0115 0.6042 ( 2860 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5995 -12.5995 0.4450 0.4450 0.4490 0.4490 1.2568 1.2568 1.2954 1.2954 1.3049 1.3049 8.3820 8.3820 9.7945 9.7945 9.9618 9.9618 11.0039 11.0039 11.4531 11.4531 11.5402 11.5402 12.2503 12.2503 12.4049 12.4049 12.6138 12.6138 12.8838 12.8838 13.2067 13.2067 13.4729 13.4729 14.6882 14.6882 14.8465 14.8465 17.2091 17.2091 17.3316 17.3316 17.7357 17.7357 k = 0.5000 0.0000 0.6124 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5996 -12.5996 0.4448 0.4448 0.4489 0.4489 1.2567 1.2567 1.2954 1.2954 1.3046 1.3046 8.3823 8.3823 9.8097 9.8097 9.9469 9.9469 11.0032 11.0032 11.4663 11.4663 11.5263 11.5263 12.2484 12.2484 12.4063 12.4063 12.6136 12.6136 12.8861 12.8861 13.2062 13.2062 13.4678 13.4678 14.6883 14.6883 14.8467 14.8467 17.2675 17.2675 17.2759 17.2759 17.7397 17.7397 k = 0.5000 0.0000 0.6124 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5996 -12.5996 0.4448 0.4448 0.4489 0.4489 1.2567 1.2567 1.2954 1.2954 1.3046 1.3046 8.3823 8.3823 9.8097 9.8097 9.9469 9.9469 11.0032 11.0032 11.4663 11.4663 11.5263 11.5263 12.2484 12.2484 12.4063 12.4063 12.6136 12.6136 12.8861 12.8861 13.2062 13.2062 13.4678 13.4678 14.6883 14.6883 14.8467 14.8467 17.2675 17.2675 17.2759 17.2759 17.7397 17.7397 k = 0.4931 0.0120 0.6124 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5995 -12.5995 0.4449 0.4449 0.4489 0.4489 1.2568 1.2568 1.2954 1.2954 1.3048 1.3048 8.3814 8.3814 9.8027 9.8027 9.9547 9.9547 11.0036 11.0036 11.4592 11.4592 11.5337 11.5337 12.2485 12.2485 12.4024 12.4024 12.6129 12.6129 12.8882 12.8882 13.2060 13.2060 13.4692 13.4692 14.6896 14.6896 14.8491 14.8491 17.2281 17.2281 17.3146 17.3146 17.7389 17.7389 k = 0.4861 0.0241 0.6124 ( 2860 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5995 -12.5995 0.4449 0.4449 0.4491 0.4491 1.2568 1.2568 1.2954 1.2954 1.3049 1.3049 8.3789 8.3789 9.7856 9.7856 9.9739 9.9739 11.0047 11.0047 11.4436 11.4436 11.5503 11.5503 12.2490 12.2490 12.3906 12.3906 12.6115 12.6115 12.8944 12.8944 13.2058 13.2058 13.4717 13.4717 14.6938 14.6938 14.8569 14.8569 17.1826 17.1826 17.3578 17.3578 17.7370 17.7370 k = 0.4792 0.0361 0.6124 ( 2856 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5994 -12.5994 0.4448 0.4448 0.4492 0.4492 1.2568 1.2568 1.2953 1.2953 1.3051 1.3051 8.3751 8.3751 9.7642 9.7642 9.9988 9.9988 11.0065 11.0065 11.4253 11.4253 11.5698 11.5698 12.2493 12.2493 12.3717 12.3717 12.6105 12.6105 12.9041 12.9041 13.2055 13.2055 13.4736 13.4736 14.7004 14.7004 14.8711 14.8711 17.1346 17.1346 17.4015 17.4015 17.7350 17.7350 k = 0.4722 0.0481 0.6124 ( 2860 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6028 -12.6028 -12.5994 -12.5994 0.4446 0.4446 0.4493 0.4493 1.2568 1.2568 1.2951 1.2951 1.3052 1.3052 8.3702 8.3702 9.7414 9.7414 10.0261 10.0261 11.0090 11.0090 11.4067 11.4067 11.5900 11.5900 12.2481 12.2481 12.3482 12.3482 12.6113 12.6113 12.9162 12.9162 13.2053 13.2053 13.4732 13.4732 14.7083 14.7083 14.8932 14.8932 17.0840 17.0840 17.4455 17.4455 17.7340 17.7340 k = 0.4653 0.0601 0.6124 ( 2861 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6028 -12.6028 -12.5993 -12.5993 0.4445 0.4445 0.4495 0.4495 1.2568 1.2568 1.2949 1.2949 1.3054 1.3054 8.3646 8.3646 9.7189 9.7189 10.0543 10.0543 11.0121 11.0121 11.3885 11.3885 11.6098 11.6098 12.2418 12.2418 12.3250 12.3250 12.6145 12.6145 12.9294 12.9294 13.2053 13.2053 13.4694 13.4694 14.7163 14.7163 14.9245 14.9245 17.0308 17.0308 17.4898 17.4898 17.7345 17.7345 k = 0.4583 0.0722 0.6124 ( 2865 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6029 -12.6029 -12.5993 -12.5993 0.4442 0.4442 0.4496 0.4496 1.2567 1.2567 1.2946 1.2946 1.3056 1.3056 8.3584 8.3584 9.6972 9.6972 10.0824 10.0824 11.0160 11.0160 11.3712 11.3712 11.6285 11.6285 12.2246 12.2246 12.3094 12.3094 12.6204 12.6204 12.9430 12.9430 13.2053 13.2053 13.4615 13.4615 14.7236 14.7236 14.9657 14.9657 16.9749 16.9749 17.5340 17.5340 17.7370 17.7370 k = 0.4514 0.0842 0.6124 ( 2863 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6030 -12.6030 -12.5992 -12.5992 0.4441 0.4441 0.4498 0.4498 1.2567 1.2567 1.2943 1.2943 1.3059 1.3059 8.3519 8.3519 9.6768 9.6768 10.1100 10.1100 11.0205 11.0205 11.3550 11.3550 11.6458 11.6458 12.1954 12.1954 12.3042 12.3042 12.6291 12.6291 12.9562 12.9562 13.2054 13.2054 13.4494 13.4494 14.7296 14.7296 15.0165 15.0165 16.9164 16.9164 17.5779 17.5779 17.7417 17.7417 k = 0.4444 0.0962 0.6124 ( 2860 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6030 -12.6030 -12.5991 -12.5991 0.4439 0.4439 0.4500 0.4500 1.2567 1.2567 1.2941 1.2941 1.3062 1.3062 8.3454 8.3454 9.6579 9.6579 10.1366 10.1366 11.0257 11.0257 11.3400 11.3400 11.6613 11.6613 12.1594 12.1594 12.3052 12.3052 12.6404 12.6404 12.9688 12.9688 13.2053 13.2053 13.4332 13.4332 14.7343 14.7343 15.0759 15.0759 16.8554 16.8554 17.6214 17.6214 17.7487 17.7487 k = 0.4375 0.1083 0.6124 ( 2855 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6031 -12.6031 -12.5990 -12.5990 0.4438 0.4438 0.4502 0.4502 1.2567 1.2567 1.2938 1.2938 1.3066 1.3066 8.3389 8.3389 9.6405 9.6405 10.1618 10.1618 11.0315 11.0315 11.3264 11.3264 11.6746 11.6746 12.1212 12.1212 12.3090 12.3090 12.6543 12.6543 12.9805 12.9805 13.2050 13.2050 13.4136 13.4136 14.7380 14.7380 15.1425 15.1425 16.7923 16.7923 17.6639 17.6639 17.7579 17.7579 k = 0.4306 0.1203 0.6124 ( 2861 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6031 -12.6031 -12.5989 -12.5989 0.4436 0.4436 0.4503 0.4503 1.2567 1.2567 1.2935 1.2935 1.3067 1.3067 8.3327 8.3327 9.6249 9.6249 10.1853 10.1853 11.0378 11.0378 11.3142 11.3142 11.6854 11.6854 12.0834 12.0834 12.3138 12.3138 12.6703 12.6703 12.9914 12.9914 13.2041 13.2041 13.3913 13.3913 14.7408 14.7408 15.2148 15.2148 16.7272 16.7272 17.7049 17.7049 17.7694 17.7694 k = 0.4236 0.1323 0.6124 ( 2867 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6032 -12.6032 -12.5988 -12.5988 0.4434 0.4434 0.4504 0.4504 1.2566 1.2566 1.2932 1.2932 1.3069 1.3069 8.3268 8.3268 9.6110 9.6110 10.2069 10.2069 11.0445 11.0445 11.3035 11.3035 11.6937 11.6937 12.0478 12.0478 12.3188 12.3188 12.6882 12.6882 13.0016 13.0016 13.2023 13.2023 13.3675 13.3675 14.7430 14.7430 15.2909 15.2909 16.6606 16.6606 17.7428 17.7428 17.7841 17.7841 k = 0.4167 0.1443 0.6124 ( 2861 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6032 -12.6032 -12.5988 -12.5988 0.4433 0.4433 0.4506 0.4506 1.2566 1.2566 1.2931 1.2931 1.3072 1.3072 8.3216 8.3216 9.5989 9.5989 10.2263 10.2263 11.0514 11.0514 11.2943 11.2943 11.6993 11.6993 12.0156 12.0156 12.3236 12.3236 12.7073 12.7073 13.0115 13.0115 13.1987 13.1987 13.3435 13.3435 14.7447 14.7447 15.3691 15.3691 16.5932 16.5932 17.7732 17.7732 17.8055 17.8055 k = 0.4097 0.1564 0.6124 ( 2862 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6033 -12.6033 -12.5987 -12.5987 0.4432 0.4432 0.4506 0.4506 1.2566 1.2566 1.2928 1.2928 1.3074 1.3074 8.3169 8.3169 9.5886 9.5886 10.2431 10.2431 11.0583 11.0583 11.2866 11.2866 11.7022 11.7022 11.9879 11.9879 12.3279 12.3279 12.7267 12.7267 13.0214 13.0214 13.1926 13.1926 13.3211 13.3211 14.7459 14.7459 15.4473 15.4473 16.5261 16.5261 17.7928 17.7928 17.8361 17.8361 k = 0.4028 0.1684 0.6124 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5987 -12.5987 0.4430 0.4430 0.4507 0.4507 1.2565 1.2565 1.2926 1.2926 1.3075 1.3075 8.3130 8.3130 9.5802 9.5802 10.2572 10.2572 11.0648 11.0648 11.2804 11.2804 11.7028 11.7028 11.9652 11.9652 12.3316 12.3316 12.7454 12.7454 13.0318 13.0318 13.1827 13.1827 13.3021 13.3021 14.7469 14.7469 15.5228 15.5228 16.4609 16.4609 17.8066 17.8066 17.8699 17.8699 k = 0.3958 0.1804 0.6124 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4429 0.4429 0.4507 0.4507 1.2565 1.2565 1.2924 1.2924 1.3076 1.3076 8.3098 8.3098 9.5736 9.5736 10.2683 10.2683 11.0704 11.0704 11.2756 11.2756 11.7017 11.7017 11.9478 11.9478 12.3344 12.3344 12.7621 12.7621 13.0430 13.0430 13.1689 13.1689 13.2881 13.2881 14.7476 14.7476 15.5922 15.5922 16.4003 16.4003 17.8174 17.8174 17.9031 17.9031 k = 0.3889 0.1925 0.6124 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4429 0.4429 0.4508 0.4508 1.2565 1.2565 1.2924 1.2924 1.3078 1.3078 8.3076 8.3076 9.5689 9.5689 10.2764 10.2764 11.0749 11.0749 11.2723 11.2723 11.6999 11.6999 11.9358 11.9358 12.3365 12.3365 12.7754 12.7754 13.0550 13.0550 13.1526 13.1526 13.2791 13.2791 14.7481 14.7481 15.6505 15.6505 16.3488 16.3488 17.8254 17.8254 17.9340 17.9340 k = 0.3819 0.2045 0.6124 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4428 0.4428 0.4508 0.4508 1.2565 1.2565 1.2923 1.2923 1.3078 1.3078 8.3062 8.3062 9.5661 9.5661 10.2813 10.2813 11.0777 11.0777 11.2703 11.2703 11.6983 11.6983 11.9288 11.9288 12.3378 12.3378 12.7840 12.7840 13.0663 13.0663 13.1374 13.1374 13.2743 13.2743 14.7484 14.7484 15.6907 15.6907 16.3128 16.3128 17.8304 17.8304 17.9607 17.9607 k = 0.3750 0.2165 0.6124 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4428 0.4428 0.4508 0.4508 1.2565 1.2565 1.2923 1.2923 1.3078 1.3078 8.3057 8.3057 9.5652 9.5652 10.2830 10.2830 11.0787 11.0787 11.2697 11.2697 11.6977 11.6977 11.9265 11.9265 12.3382 12.3382 12.7870 12.7870 13.0717 13.0717 13.1305 13.1305 13.2728 13.2728 14.7485 14.7485 15.7053 15.7053 16.2997 16.2997 17.8321 17.8321 17.9742 17.9742 k = 0.3750 0.2165 0.6124 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4428 0.4428 0.4508 0.4508 1.2565 1.2565 1.2923 1.2923 1.3078 1.3078 8.3057 8.3057 9.5652 9.5652 10.2830 10.2830 11.0787 11.0787 11.2697 11.2697 11.6977 11.6977 11.9265 11.9265 12.3382 12.3382 12.7870 12.7870 13.0717 13.0717 13.1305 13.1305 13.2728 13.2728 14.7485 14.7485 15.7053 15.7053 16.2997 16.2997 17.8321 17.8321 17.9742 17.9742 k = 0.3678 0.2123 0.6006 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4432 0.4432 0.4507 0.4507 1.2568 1.2568 1.2925 1.2925 1.3075 1.3075 8.2945 8.2945 9.6203 9.6203 10.2568 10.2568 11.0813 11.0813 11.2623 11.2623 11.6705 11.6705 11.9118 11.9118 12.3288 12.3288 12.7666 12.7666 13.0598 13.0598 13.0918 13.0918 13.2843 13.2843 14.7487 14.7487 15.7757 15.7757 16.3560 16.3560 17.9082 17.9082 17.9683 17.9683 k = 0.3606 0.2082 0.5888 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5987 -12.5987 0.4436 0.4436 0.4507 0.4507 1.2572 1.2572 1.2928 1.2928 1.3073 1.3073 8.2798 8.2798 9.6782 9.6782 10.2311 10.2311 11.0824 11.0824 11.2553 11.2553 11.6434 11.6434 11.8958 11.8958 12.3192 12.3192 12.7443 12.7443 13.0150 13.0150 13.0841 13.0841 13.3099 13.3099 14.7487 14.7487 15.8446 15.8446 16.4140 16.4140 17.9438 17.9438 18.0046 18.0046 k = 0.3534 0.2040 0.5770 ( 2878 PWs) bands (ev): -34.1100 -34.1100 -13.1040 -13.1040 -12.6033 -12.6033 -12.5987 -12.5987 0.4440 0.4440 0.4506 0.4506 1.2575 1.2575 1.2930 1.2930 1.3071 1.3071 8.2612 8.2612 9.7387 9.7387 10.2060 10.2060 11.0820 11.0820 11.2479 11.2479 11.6173 11.6173 11.8787 11.8787 12.3099 12.3099 12.7229 12.7229 12.9671 12.9671 13.0776 13.0776 13.3460 13.3460 14.7484 14.7484 15.9122 15.9122 16.4739 16.4739 17.9354 17.9354 18.0671 18.0671 k = 0.3462 0.1999 0.5653 ( 2878 PWs) bands (ev): -34.1100 -34.1100 -13.1040 -13.1040 -12.6033 -12.6033 -12.5987 -12.5987 0.4444 0.4444 0.4506 0.4506 1.2579 1.2579 1.2932 1.2932 1.3069 1.3069 8.2384 8.2384 9.8018 9.8018 10.1818 10.1818 11.0802 11.0802 11.2393 11.2393 11.5934 11.5934 11.8611 11.8611 12.3014 12.3014 12.7032 12.7032 12.9216 12.9216 13.0694 13.0694 13.3885 13.3885 14.7479 14.7479 15.9783 15.9783 16.5361 16.5361 17.9228 17.9228 18.0877 18.0877 k = 0.3389 0.1957 0.5535 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6033 -12.6033 -12.5986 -12.5986 0.4448 0.4448 0.4506 0.4506 1.2582 1.2582 1.2935 1.2935 1.3067 1.3067 8.2112 8.2112 9.8672 9.8672 10.1585 10.1585 11.0774 11.0774 11.2287 11.2287 11.5725 11.5725 11.8437 11.8437 12.2937 12.2937 12.6854 12.6854 12.8791 12.8791 13.0609 13.0609 13.4345 13.4345 14.7471 14.7471 16.0431 16.0431 16.6007 16.6007 17.9084 17.9084 18.1090 18.1090 k = 0.3317 0.1915 0.5417 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6032 -12.6032 -12.5986 -12.5986 0.4452 0.4452 0.4507 0.4507 1.2586 1.2586 1.2937 1.2937 1.3067 1.3067 8.1792 8.1792 9.9347 9.9347 10.1365 10.1365 11.0736 11.0736 11.2156 11.2156 11.5553 11.5553 11.8270 11.8270 12.2869 12.2869 12.6691 12.6691 12.8399 12.8399 13.0534 13.0534 13.4821 13.4821 14.7461 14.7461 16.1067 16.1067 16.6681 16.6681 17.8926 17.8926 18.1257 18.1257 k = 0.3245 0.1874 0.5299 ( 2872 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6033 -12.6033 -12.5985 -12.5985 0.4453 0.4453 0.4508 0.4508 1.2588 1.2588 1.2938 1.2938 1.3065 1.3065 8.1423 8.1423 10.0041 10.0041 10.1160 10.1160 11.0688 11.0688 11.2000 11.2000 11.5421 11.5421 11.8117 11.8117 12.2812 12.2812 12.6535 12.6535 12.8044 12.8044 13.0477 13.0477 13.5302 13.5302 14.7448 14.7448 16.1690 16.1690 16.7382 16.7382 17.8755 17.8755 18.1297 18.1297 k = 0.3173 0.1832 0.5182 ( 2874 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6033 -12.6033 -12.5984 -12.5984 0.4455 0.4455 0.4508 0.4508 1.2590 1.2590 1.2939 1.2939 1.3064 1.3064 8.1004 8.1004 10.0740 10.0740 10.0983 10.0983 11.0630 11.0630 11.1822 11.1822 11.5325 11.5325 11.7982 11.7982 12.2764 12.2764 12.6377 12.6377 12.7735 12.7735 13.0443 13.0443 13.5782 13.5782 14.7432 14.7432 16.2304 16.2304 16.8112 16.8112 17.8570 17.8570 18.1251 18.1251 k = 0.3101 0.1790 0.5064 ( 2874 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6033 -12.6033 -12.5983 -12.5983 0.4457 0.4457 0.4510 0.4510 1.2591 1.2591 1.2940 1.2940 1.3063 1.3063 8.0536 8.0536 10.0787 10.0787 10.1488 10.1488 11.0557 11.0557 11.1635 11.1635 11.5259 11.5259 11.7870 11.7870 12.2726 12.2726 12.6205 12.6205 12.7487 12.7487 13.0435 13.0435 13.6256 13.6256 14.7414 14.7414 16.2907 16.2907 16.8870 16.8870 17.8371 17.8371 18.1187 18.1187 k = 0.3029 0.1749 0.4946 ( 2874 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6033 -12.6033 -12.5982 -12.5982 0.4458 0.4458 0.4511 0.4511 1.2592 1.2592 1.2941 1.2941 1.3062 1.3062 8.0020 8.0020 10.0637 10.0637 10.2218 10.2218 11.0465 11.0465 11.1454 11.1454 11.5216 11.5216 11.7783 11.7783 12.2701 12.2701 12.6010 12.6010 12.7309 12.7309 13.0451 13.0451 13.6722 13.6722 14.7394 14.7394 16.3502 16.3502 16.9653 16.9653 17.8158 17.8158 18.1131 18.1131 k = 0.2957 0.1707 0.4828 ( 2874 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6032 -12.6032 -12.5981 -12.5981 0.4459 0.4459 0.4513 0.4513 1.2593 1.2593 1.2942 1.2942 1.3061 1.3061 7.9458 7.9458 10.0504 10.0504 10.2951 10.2951 11.0347 11.0347 11.1292 11.1292 11.5186 11.5186 11.7720 11.7720 12.2690 12.2690 12.5790 12.5790 12.7203 12.7203 13.0492 13.0492 13.7179 13.7179 14.7372 14.7372 16.4088 16.4088 17.0460 17.0460 17.7930 17.7930 18.1093 18.1093 k = 0.2885 0.1665 0.4711 ( 2866 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6032 -12.6032 -12.5980 -12.5980 0.4460 0.4460 0.4515 0.4515 1.2595 1.2595 1.2943 1.2943 1.3062 1.3062 7.8853 7.8853 10.0393 10.0393 10.3676 10.3676 11.0206 11.0206 11.1160 11.1160 11.5164 11.5164 11.7681 11.7681 12.2698 12.2698 12.5558 12.5558 12.7163 12.7163 13.0555 13.0555 13.7628 13.7628 14.7350 14.7350 16.4667 16.4667 17.1285 17.1285 17.7686 17.7686 18.1084 18.1084 k = 0.2812 0.1624 0.4593 ( 2868 PWs) bands (ev): -34.1102 -34.1102 -13.1038 -13.1038 -12.6032 -12.6032 -12.5979 -12.5979 0.4460 0.4460 0.4517 0.4517 1.2595 1.2595 1.2943 1.2943 1.3060 1.3060 7.8208 7.8208 10.0302 10.0302 10.4377 10.4377 11.0052 11.0052 11.1057 11.1057 11.5143 11.5143 11.7665 11.7665 12.2727 12.2727 12.5329 12.5329 12.7177 12.7177 13.0638 13.0638 13.8068 13.8068 14.7326 14.7326 16.5239 16.5239 17.2119 17.2119 17.7426 17.7426 18.1112 18.1112 k = 0.2740 0.1582 0.4475 ( 2872 PWs) bands (ev): -34.1102 -34.1102 -13.1038 -13.1038 -12.6031 -12.6031 -12.5978 -12.5978 0.4460 0.4460 0.4518 0.4518 1.2595 1.2595 1.2942 1.2942 1.3058 1.3058 7.7528 7.7528 10.0234 10.0234 10.5034 10.5034 10.9909 10.9909 11.0977 11.0977 11.5121 11.5121 11.7670 11.7670 12.2782 12.2782 12.5116 12.5116 12.7236 12.7236 13.0740 13.0740 13.8503 13.8503 14.7302 14.7302 16.5805 16.5805 17.2953 17.2953 17.7149 17.7149 18.1187 18.1187 k = 0.2668 0.1541 0.4357 ( 2872 PWs) bands (ev): -34.1102 -34.1102 -13.1038 -13.1038 -12.6031 -12.6031 -12.5976 -12.5976 0.4460 0.4460 0.4520 0.4520 1.2594 1.2594 1.2942 1.2942 1.3057 1.3057 7.6817 7.6817 10.0187 10.0187 10.5617 10.5617 10.9806 10.9806 11.0912 11.0912 11.5095 11.5095 11.7698 11.7698 12.2866 12.2866 12.4931 12.4931 12.7331 12.7331 13.0859 13.0859 13.8933 13.8933 14.7278 14.7278 16.6365 16.6365 17.3770 17.3770 17.6857 17.6857 18.1323 18.1323 k = 0.2596 0.1499 0.4240 ( 2870 PWs) bands (ev): -34.1102 -34.1102 -13.1038 -13.1038 -12.6030 -12.6030 -12.5975 -12.5975 0.4460 0.4460 0.4521 0.4521 1.2594 1.2594 1.2942 1.2942 1.3055 1.3055 7.6079 7.6079 10.0161 10.0161 10.6089 10.6089 10.9772 10.9772 11.0858 11.0858 11.5064 11.5064 11.7751 11.7751 12.2980 12.2980 12.4783 12.4783 12.7458 12.7458 13.0993 13.0993 13.9360 13.9360 14.7256 14.7256 16.6919 16.6919 17.4548 17.4548 17.6550 17.6550 18.1540 18.1540 k = 0.2524 0.1457 0.4122 ( 2870 PWs) bands (ev): -34.1103 -34.1103 -13.1037 -13.1037 -12.6029 -12.6029 -12.5974 -12.5974 0.4460 0.4460 0.4522 0.4522 1.2593 1.2593 1.2941 1.2941 1.3053 1.3053 7.5320 7.5320 10.0155 10.0155 10.6413 10.6413 10.9825 10.9825 11.0817 11.0817 11.5026 11.5026 11.7839 11.7839 12.3125 12.3125 12.4679 12.4679 12.7614 12.7614 13.1139 13.1139 13.9787 13.9787 14.7236 14.7236 16.7468 16.7468 17.5253 17.5253 17.6241 17.6241 18.1858 18.1858 k = 0.2452 0.1416 0.4004 ( 2862 PWs) bands (ev): -34.1103 -34.1103 -13.1037 -13.1037 -12.6028 -12.6028 -12.5972 -12.5972 0.4461 0.4461 0.4524 0.4524 1.2593 1.2593 1.2941 1.2941 1.3051 1.3051 7.4543 7.4543 10.0168 10.0168 10.6578 10.6578 10.9948 10.9948 11.0801 11.0801 11.4980 11.4980 11.7977 11.7977 12.3299 12.3299 12.4624 12.4624 12.7797 12.7797 13.1298 13.1298 14.0218 14.0218 14.7219 14.7219 16.8010 16.8010 17.5681 17.5681 17.6110 17.6110 18.2297 18.2297 k = 0.2380 0.1374 0.3886 ( 2862 PWs) bands (ev): -34.1103 -34.1103 -13.1036 -13.1036 -12.6026 -12.6026 -12.5971 -12.5971 0.4461 0.4461 0.4524 0.4524 1.2592 1.2592 1.2940 1.2940 1.3048 1.3048 7.3754 7.3754 10.0200 10.0200 10.6608 10.6608 11.0073 11.0073 11.0832 11.0832 11.4922 11.4922 11.8185 11.8185 12.3501 12.3501 12.4621 12.4621 12.8004 12.8004 13.1467 13.1467 14.0654 14.0654 14.7205 14.7205 16.8546 16.8546 17.5433 17.5433 17.6539 17.6539 18.2871 18.2871 k = 0.2308 0.1332 0.3768 ( 2860 PWs) bands (ev): -34.1103 -34.1103 -13.1036 -13.1036 -12.6025 -12.6025 -12.5970 -12.5970 0.4461 0.4461 0.4525 0.4525 1.2591 1.2591 1.2939 1.2939 1.3046 1.3046 7.2956 7.2956 10.0249 10.0249 10.6542 10.6542 11.0133 11.0133 11.0919 11.0919 11.4847 11.4847 11.8486 11.8486 12.3726 12.3726 12.4670 12.4670 12.8236 12.8236 13.1646 13.1646 14.1098 14.1098 14.7197 14.7197 16.9074 16.9074 17.5064 17.5064 17.6969 17.6969 18.3580 18.3580 k = 0.2236 0.1291 0.3651 ( 2864 PWs) bands (ev): -34.1104 -34.1104 -13.1035 -13.1035 -12.6023 -12.6023 -12.5969 -12.5969 0.4460 0.4460 0.4525 0.4525 1.2590 1.2590 1.2938 1.2938 1.3042 1.3042 7.2155 7.2155 10.0314 10.0314 10.6418 10.6418 11.0118 11.0118 11.1024 11.1024 11.4748 11.4748 11.8897 11.8897 12.3969 12.3969 12.4770 12.4770 12.8493 12.8493 13.1834 13.1834 14.1554 14.1554 14.7194 14.7194 16.9593 16.9593 17.4669 17.4669 17.7316 17.7316 18.4407 18.4407 k = 0.2163 0.1249 0.3533 ( 2862 PWs) bands (ev): -34.1104 -34.1104 -13.1035 -13.1035 -12.6021 -12.6021 -12.5968 -12.5968 0.4461 0.4461 0.4524 0.4524 1.2589 1.2589 1.2936 1.2936 1.3038 1.3038 7.1352 7.1352 10.0394 10.0394 10.6262 10.6262 11.0056 11.0056 11.1093 11.1093 11.4621 11.4621 11.9424 11.9424 12.4227 12.4227 12.4918 12.4918 12.8775 12.8775 13.2030 13.2030 14.2024 14.2024 14.7200 14.7200 17.0097 17.0097 17.4259 17.4259 17.7589 17.7589 18.5323 18.5323 k = 0.2091 0.1207 0.3415 ( 2868 PWs) bands (ev): -34.1104 -34.1104 -13.1034 -13.1034 -12.6020 -12.6020 -12.5967 -12.5967 0.4460 0.4460 0.4523 0.4523 1.2587 1.2587 1.2934 1.2934 1.3033 1.3033 7.0553 7.0553 10.0487 10.0487 10.6089 10.6089 10.9968 10.9968 11.1103 11.1103 11.4463 11.4463 12.0060 12.0060 12.4493 12.4493 12.5109 12.5109 12.9084 12.9084 13.2234 13.2234 14.2509 14.2509 14.7214 14.7214 17.0579 17.0579 17.3845 17.3845 17.7804 17.7804 18.6290 18.6290 k = 0.2019 0.1166 0.3297 ( 2868 PWs) bands (ev): -34.1105 -34.1105 -13.1034 -13.1034 -12.6018 -12.6018 -12.5966 -12.5966 0.4461 0.4461 0.4522 0.4522 1.2586 1.2586 1.2932 1.2932 1.3028 1.3028 6.9759 6.9759 10.0594 10.0594 10.5910 10.5910 10.9863 10.9863 11.1050 11.1050 11.4275 11.4275 12.0786 12.0786 12.4765 12.4765 12.5338 12.5338 12.9420 12.9420 13.2444 13.2444 14.3014 14.3014 14.7240 14.7240 17.1016 17.1016 17.3451 17.3451 17.7978 17.7978 18.7259 18.7259 k = 0.1947 0.1124 0.3180 ( 2868 PWs) bands (ev): -34.1105 -34.1105 -13.1033 -13.1033 -12.6015 -12.6015 -12.5965 -12.5965 0.4461 0.4461 0.4521 0.4521 1.2584 1.2584 1.2929 1.2929 1.3023 1.3023 6.8975 6.8975 10.0711 10.0711 10.5732 10.5732 10.9747 10.9747 11.0943 11.0943 11.4061 11.4061 12.1579 12.1579 12.5041 12.5041 12.5601 12.5601 12.9786 12.9786 13.2662 13.2662 14.3539 14.3539 14.7280 14.7280 17.1348 17.1348 17.3136 17.3136 17.8122 17.8122 18.8158 18.8158 k = 0.1875 0.1083 0.3062 ( 2856 PWs) bands (ev): -34.1105 -34.1105 -13.1032 -13.1032 -12.6013 -12.6013 -12.5964 -12.5964 0.4462 0.4462 0.4521 0.4521 1.2584 1.2584 1.2928 1.2928 1.3019 1.3019 6.8202 6.8202 10.0838 10.0838 10.5559 10.5559 10.9622 10.9622 11.0792 11.0792 11.3825 11.3825 12.2408 12.2408 12.5320 12.5320 12.5896 12.5896 13.0185 13.0185 13.2887 13.2887 14.4082 14.4082 14.7336 14.7336 17.1436 17.1436 17.3040 17.3040 17.8246 17.8246 18.8880 18.8880 k = 0.1803 0.1041 0.2944 ( 2856 PWs) bands (ev): -34.1106 -34.1106 -13.1032 -13.1032 -12.6010 -12.6010 -12.5963 -12.5963 0.4463 0.4463 0.4520 0.4520 1.2583 1.2583 1.2926 1.2926 1.3013 1.3013 6.7444 6.7444 10.0974 10.0974 10.5394 10.5394 10.9491 10.9491 11.0609 11.0609 11.3572 11.3572 12.3241 12.3241 12.5600 12.5600 12.6227 12.6227 13.0617 13.0617 13.3120 13.3120 14.4643 14.4643 14.7415 14.7415 17.1205 17.1205 17.3239 17.3239 17.8356 17.8356 18.9312 18.9312 k = 0.1731 0.0999 0.2826 ( 2848 PWs) bands (ev): -34.1106 -34.1106 -13.1031 -13.1031 -12.6007 -12.6007 -12.5962 -12.5962 0.4464 0.4464 0.4519 0.4519 1.2582 1.2582 1.2925 1.2925 1.3008 1.3008 6.6701 6.6701 10.1118 10.1118 10.5238 10.5238 10.9354 10.9354 11.0404 11.0404 11.3307 11.3307 12.4036 12.4036 12.5880 12.5880 12.6610 12.6610 13.1086 13.1086 13.3362 13.3362 14.5217 14.5217 14.7523 14.7523 17.0782 17.0782 17.3606 17.3606 17.8458 17.8458 18.9429 18.9429 k = 0.1659 0.0958 0.2709 ( 2848 PWs) bands (ev): -34.1106 -34.1106 -13.1030 -13.1030 -12.6005 -12.6005 -12.5961 -12.5961 0.4464 0.4464 0.4517 0.4517 1.2581 1.2581 1.2922 1.2922 1.3001 1.3001 6.5978 6.5978 10.1267 10.1267 10.5093 10.5093 10.9212 10.9212 11.0183 11.0183 11.3033 11.3033 12.4746 12.4746 12.6155 12.6155 12.7074 12.7074 13.1595 13.1595 13.3615 13.3615 14.5793 14.5793 14.7674 14.7674 17.0274 17.0274 17.4035 17.4035 17.8553 17.8553 18.9316 18.9316 k = 0.1587 0.0916 0.2591 ( 2852 PWs) bands (ev): -34.1107 -34.1107 -13.1029 -13.1029 -12.6002 -12.6002 -12.5960 -12.5960 0.4464 0.4464 0.4514 0.4514 1.2579 1.2579 1.2920 1.2920 1.2994 1.2994 6.5274 6.5274 10.1421 10.1421 10.4959 10.4959 10.9066 10.9066 10.9954 10.9954 11.2753 11.2753 12.5330 12.5330 12.6419 12.6419 12.7640 12.7640 13.2144 13.2144 13.3882 13.3882 14.6349 14.6349 14.7888 14.7888 16.9721 16.9721 17.4486 17.4486 17.8646 17.8646 18.9075 18.9075 k = 0.1514 0.0874 0.2473 ( 2846 PWs) bands (ev): -34.1107 -34.1107 -13.1028 -13.1028 -12.5999 -12.5999 -12.5960 -12.5960 0.4465 0.4465 0.4512 0.4512 1.2579 1.2579 1.2917 1.2917 1.2988 1.2988 6.4593 6.4593 10.1578 10.1578 10.4838 10.4838 10.8916 10.8916 10.9724 10.9724 11.2470 11.2470 12.5786 12.5786 12.6665 12.6665 12.8297 12.8297 13.2733 13.2733 13.4169 13.4169 14.6853 14.6853 14.8203 14.8203 16.9141 16.9141 17.4943 17.4943 17.8738 17.8738 18.8775 18.8775 k = 0.1442 0.0833 0.2355 ( 2850 PWs) bands (ev): -34.1108 -34.1108 -13.1028 -13.1028 -12.5996 -12.5996 -12.5959 -12.5959 0.4465 0.4465 0.4510 0.4510 1.2577 1.2577 1.2914 1.2914 1.2980 1.2980 6.3935 6.3935 10.1737 10.1737 10.4729 10.4729 10.8762 10.8762 10.9496 10.9496 11.2187 11.2187 12.6145 12.6145 12.6890 12.6890 12.8996 12.8996 13.3357 13.3357 13.4486 13.4486 14.7274 14.7274 14.8649 14.8649 16.8540 16.8540 17.5400 17.5400 17.8830 17.8830 18.8456 18.8456 k = 0.1370 0.0791 0.2238 ( 2850 PWs) bands (ev): -34.1108 -34.1108 -13.1027 -13.1027 -12.5993 -12.5993 -12.5959 -12.5959 0.4466 0.4466 0.4507 0.4507 1.2576 1.2576 1.2912 1.2912 1.2973 1.2973 6.3302 6.3302 10.1898 10.1898 10.4633 10.4633 10.8603 10.8603 10.9275 10.9275 11.1906 11.1906 12.6437 12.6437 12.7094 12.7094 12.9689 12.9689 13.3998 13.3998 13.4855 13.4855 14.7625 14.7625 14.9214 14.9214 16.7925 16.7925 17.5852 17.5852 17.8923 17.8923 18.8140 18.8140 k = 0.1298 0.0749 0.2120 ( 2850 PWs) bands (ev): -34.1108 -34.1108 -13.1027 -13.1027 -12.5990 -12.5990 -12.5958 -12.5958 0.4466 0.4466 0.4504 0.4504 1.2575 1.2575 1.2910 1.2910 1.2966 1.2966 6.2696 6.2696 10.2057 10.2057 10.4547 10.4547 10.8440 10.8440 10.9065 10.9065 11.1629 11.1629 12.6687 12.6687 12.7277 12.7277 13.0341 13.0341 13.4611 13.4611 13.5318 13.5318 14.7948 14.7948 14.9856 14.9856 16.7299 16.7299 17.6297 17.6297 17.9020 17.9020 18.7842 18.7842 k = 0.1226 0.0708 0.2002 ( 2850 PWs) bands (ev): -34.1109 -34.1109 -13.1026 -13.1026 -12.5987 -12.5987 -12.5958 -12.5958 0.4466 0.4466 0.4502 0.4502 1.2574 1.2574 1.2907 1.2907 1.2959 1.2959 6.2116 6.2116 10.2216 10.2216 10.4473 10.4473 10.8275 10.8275 10.8867 10.8867 11.1357 11.1357 12.6905 12.6905 12.7441 12.7441 13.0930 13.0930 13.5147 13.5147 13.5915 13.5915 14.8278 14.8278 15.0542 15.0542 16.6666 16.6666 17.6733 17.6733 17.9122 17.9122 18.7572 18.7572 k = 0.1154 0.0666 0.1884 ( 2848 PWs) bands (ev): -34.1109 -34.1109 -13.1025 -13.1025 -12.5984 -12.5984 -12.5958 -12.5958 0.4467 0.4467 0.4499 0.4499 1.2573 1.2573 1.2905 1.2905 1.2952 1.2952 6.1565 6.1565 10.2371 10.2371 10.4410 10.4410 10.8108 10.8108 10.8682 10.8682 11.1094 11.1094 12.7100 12.7100 12.7587 12.7587 13.1448 13.1448 13.5631 13.5631 13.6610 13.6610 14.8636 14.8636 15.1249 15.1249 16.6030 16.6030 17.7158 17.7158 17.9229 17.9229 18.7336 18.7336 k = 0.1082 0.0625 0.1766 ( 2844 PWs) bands (ev): -34.1109 -34.1109 -13.1024 -13.1024 -12.5982 -12.5982 -12.5957 -12.5957 0.4468 0.4468 0.4497 0.4497 1.2572 1.2572 1.2903 1.2903 1.2945 1.2945 6.1044 6.1044 10.2524 10.2524 10.4355 10.4355 10.7944 10.7944 10.8508 10.8508 11.0840 11.0840 12.7275 12.7275 12.7716 12.7716 13.1893 13.1893 13.6109 13.6109 13.7336 13.7336 14.9037 14.9037 15.1965 15.1965 16.5395 16.5395 17.7570 17.7570 17.9343 17.9343 18.7141 18.7141 k = 0.1010 0.0583 0.1649 ( 2838 PWs) bands (ev): -34.1110 -34.1110 -13.1024 -13.1024 -12.5978 -12.5978 -12.5957 -12.5957 0.4469 0.4469 0.4494 0.4494 1.2571 1.2571 1.2901 1.2901 1.2939 1.2939 6.0552 6.0552 10.2672 10.2672 10.4309 10.4309 10.7784 10.7784 10.8345 10.8345 11.0597 11.0597 12.7434 12.7434 12.7829 12.7829 13.2270 13.2270 13.6603 13.6603 13.8050 13.8050 14.9485 14.9485 15.2679 15.2679 16.4765 16.4765 17.7969 17.7969 17.9465 17.9465 18.6990 18.6990 k = 0.0938 0.0541 0.1531 ( 2838 PWs) bands (ev): -34.1110 -34.1110 -13.1023 -13.1023 -12.5976 -12.5976 -12.5957 -12.5957 0.4469 0.4469 0.4492 0.4492 1.2570 1.2570 1.2899 1.2899 1.2933 1.2933 6.0091 6.0091 10.2815 10.2815 10.4269 10.4269 10.7633 10.7633 10.8189 10.8189 11.0368 11.0368 12.7577 12.7577 12.7929 12.7929 13.2586 13.2586 13.7117 13.7117 13.8726 13.8726 14.9982 14.9982 15.3384 15.3384 16.4147 16.4147 17.8352 17.8352 17.9597 17.9597 18.6888 18.6888 k = 0.0865 0.0500 0.1413 ( 2832 PWs) bands (ev): -34.1110 -34.1110 -13.1022 -13.1022 -12.5973 -12.5973 -12.5957 -12.5957 0.4470 0.4470 0.4490 0.4490 1.2570 1.2570 1.2897 1.2897 1.2927 1.2927 5.9663 5.9663 10.2954 10.2954 10.4235 10.4235 10.7493 10.7493 10.8039 10.8039 11.0154 11.0154 12.7707 12.7707 12.8015 12.8015 13.2851 13.2851 13.7648 13.7648 13.9347 13.9347 15.0524 15.0524 15.4076 15.4076 16.3544 16.3544 17.8717 17.8717 17.9736 17.9736 18.6838 18.6838 k = 0.0793 0.0458 0.1295 ( 2832 PWs) bands (ev): -34.1110 -34.1110 -13.1022 -13.1022 -12.5970 -12.5970 -12.5956 -12.5956 0.4470 0.4470 0.4487 0.4487 1.2569 1.2569 1.2896 1.2896 1.2921 1.2921 5.9266 5.9266 10.3088 10.3088 10.4205 10.4205 10.7365 10.7365 10.7893 10.7893 10.9957 10.9957 12.7823 12.7823 12.8089 12.8089 13.3072 13.3072 13.8190 13.8190 13.9903 13.9903 15.1097 15.1097 15.4752 15.4752 16.2966 16.2966 17.9064 17.9064 17.9884 17.9884 18.6843 18.6843 k = 0.0721 0.0416 0.1178 ( 2828 PWs) bands (ev): -34.1111 -34.1111 -13.1021 -13.1021 -12.5968 -12.5968 -12.5956 -12.5956 0.4471 0.4471 0.4485 0.4485 1.2568 1.2568 1.2895 1.2895 1.2916 1.2916 5.8902 5.8902 10.3216 10.3216 10.4177 10.4177 10.7250 10.7250 10.7750 10.7750 10.9779 10.9779 12.7928 12.7928 12.8153 12.8153 13.3256 13.3256 13.8735 13.8735 14.0390 14.0390 15.1683 15.1683 15.5411 15.5411 16.2421 16.2421 17.9389 17.9389 18.0038 18.0038 18.6905 18.6905 k = 0.0649 0.0375 0.1060 ( 2822 PWs) bands (ev): -34.1111 -34.1111 -13.1020 -13.1020 -12.5966 -12.5966 -12.5956 -12.5956 0.4472 0.4472 0.4484 0.4484 1.2568 1.2568 1.2894 1.2894 1.2911 1.2911 5.8571 5.8571 10.3339 10.3339 10.4151 10.4151 10.7151 10.7151 10.7609 10.7609 10.9620 10.9620 12.8020 12.8020 12.8207 12.8207 13.3410 13.3410 13.9275 13.9275 14.0809 14.0809 15.2255 15.2255 15.6056 15.6056 16.1917 16.1917 17.9691 17.9691 18.0195 18.0195 18.7026 18.7026 k = 0.0577 0.0333 0.0942 ( 2818 PWs) bands (ev): -34.1111 -34.1111 -13.1020 -13.1020 -12.5963 -12.5963 -12.5956 -12.5956 0.4473 0.4473 0.4482 0.4482 1.2568 1.2568 1.2893 1.2893 1.2906 1.2906 5.8274 5.8274 10.3456 10.3456 10.4127 10.4127 10.7064 10.7064 10.7472 10.7472 10.9481 10.9481 12.8102 12.8102 12.8253 12.8253 13.3539 13.3539 13.9801 13.9801 14.1163 14.1163 15.2782 15.2782 15.6688 15.6688 16.1465 16.1465 17.9967 17.9967 18.0350 18.0350 18.7204 18.7204 k = 0.0505 0.0291 0.0824 ( 2819 PWs) bands (ev): -34.1111 -34.1111 -13.1019 -13.1019 -12.5962 -12.5962 -12.5956 -12.5956 0.4473 0.4473 0.4480 0.4480 1.2567 1.2567 1.2892 1.2892 1.2902 1.2902 5.8011 5.8011 10.3567 10.3567 10.4104 10.4104 10.6992 10.6992 10.7339 10.7339 10.9363 10.9363 12.8173 12.8173 12.8291 12.8291 13.3646 13.3646 14.0305 14.0305 14.1458 14.1458 15.3237 15.3237 15.7307 15.7307 16.1074 16.1074 18.0217 18.0217 18.0500 18.0500 18.7436 18.7436 k = 0.0433 0.0250 0.0707 ( 2815 PWs) bands (ev): -34.1111 -34.1111 -13.1019 -13.1019 -12.5960 -12.5960 -12.5956 -12.5956 0.4474 0.4474 0.4478 0.4478 1.2567 1.2567 1.2891 1.2891 1.2899 1.2899 5.7783 5.7783 10.3670 10.3670 10.4082 10.4082 10.6932 10.6932 10.7212 10.7212 10.9264 10.9264 12.8235 12.8235 12.8322 12.8322 13.3734 13.3734 14.0776 14.0776 14.1700 14.1700 15.3598 15.3598 15.7909 15.7909 16.0752 16.0752 18.0437 18.0437 18.0640 18.0640 18.7716 18.7716 k = 0.0361 0.0208 0.0589 ( 2823 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5959 -12.5959 -12.5956 -12.5956 0.4473 0.4473 0.4476 0.4476 1.2565 1.2565 1.2889 1.2889 1.2895 1.2895 5.7589 5.7589 10.3763 10.3763 10.4062 10.4062 10.6883 10.6883 10.7094 10.7094 10.9183 10.9183 12.8286 12.8286 12.8347 12.8347 13.3805 13.3805 14.1205 14.1205 14.1895 14.1895 15.3857 15.3857 15.8479 15.8479 16.0501 16.0501 18.0626 18.0626 18.0765 18.0765 18.8031 18.8031 k = 0.0288 0.0167 0.0471 ( 2823 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5958 -12.5958 -12.5956 -12.5956 0.4473 0.4473 0.4475 0.4475 1.2565 1.2565 1.2888 1.2888 1.2892 1.2892 5.7430 5.7430 10.3846 10.3846 10.4044 10.4044 10.6845 10.6845 10.6990 10.6990 10.9120 10.9120 12.8327 12.8327 12.8367 12.8367 13.3862 13.3862 14.1578 14.1578 14.2047 14.2047 15.4023 15.4023 15.8999 15.8999 16.0319 16.0319 18.0783 18.0783 18.0871 18.0871 18.8360 18.8360 k = 0.0216 0.0125 0.0353 ( 2831 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5957 -12.5957 -12.5956 -12.5956 0.4472 0.4472 0.4474 0.4474 1.2564 1.2564 1.2887 1.2887 1.2889 1.2889 5.7306 5.7306 10.3914 10.3914 10.4030 10.4030 10.6816 10.6816 10.6903 10.6903 10.9073 10.9073 12.8359 12.8359 12.8381 12.8381 13.3904 13.3904 14.1885 14.1885 14.2162 14.2162 15.4114 15.4114 15.9441 15.9441 16.0195 16.0195 18.0907 18.0907 18.0956 18.0956 18.8402 18.8402 k = 0.0144 0.0083 0.0236 ( 2831 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5957 -12.5957 -12.5956 -12.5956 0.4472 0.4472 0.4473 0.4473 1.2564 1.2564 1.2887 1.2887 1.2888 1.2888 5.7218 5.7218 10.3966 10.3966 10.4019 10.4019 10.6796 10.6796 10.6836 10.6836 10.9040 10.9040 12.8382 12.8382 12.8392 12.8392 13.3934 13.3934 14.2113 14.2113 14.2241 14.2241 15.4154 15.4154 15.9780 15.9780 16.0119 16.0119 18.0996 18.0996 18.1018 18.1018 18.8081 18.8081 k = 0.0072 0.0042 0.0118 ( 2847 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5957 -12.5957 -12.5956 -12.5956 0.4471 0.4471 0.4472 0.4472 1.2562 1.2562 1.2885 1.2885 1.2886 1.2886 5.7165 5.7165 10.3998 10.3998 10.4011 10.4011 10.6784 10.6784 10.6794 10.6794 10.9020 10.9020 12.8395 12.8395 12.8398 12.8398 13.3952 13.3952 14.2255 14.2255 14.2288 14.2288 15.4168 15.4168 15.9993 15.9993 16.0079 16.0079 18.1050 18.1050 18.1055 18.1055 18.7877 18.7877 k = 0.0000 0.0000 0.0000 ( 2837 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5956 -12.5956 -12.5956 -12.5956 0.4473 0.4473 0.4473 0.4473 1.2563 1.2563 1.2887 1.2887 1.2887 1.2887 5.7147 5.7147 10.4009 10.4009 10.4009 10.4009 10.6780 10.6780 10.6780 10.6780 10.9014 10.9014 12.8400 12.8400 12.8400 12.8400 13.3958 13.3958 14.2303 14.2303 14.2303 14.2303 15.4171 15.4171 16.0066 16.0066 16.0066 16.0066 18.1068 18.1068 18.1068 18.1068 18.7807 18.7807 k = 0.0000 0.0000 0.0000 ( 2837 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5956 -12.5956 -12.5956 -12.5956 0.4473 0.4473 0.4473 0.4473 1.2563 1.2563 1.2887 1.2887 1.2887 1.2887 5.7147 5.7147 10.4009 10.4009 10.4009 10.4009 10.6780 10.6780 10.6780 10.6780 10.9014 10.9014 12.8400 12.8400 12.8400 12.8400 13.3958 13.3958 14.2303 14.2303 14.2303 14.2303 15.4171 15.4171 16.0066 16.0066 16.0066 16.0066 18.1068 18.1068 18.1068 18.1068 18.7807 18.7807 k = 0.0119 0.0069 0.0049 ( 2843 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5957 -12.5957 -12.5956 -12.5956 0.4471 0.4471 0.4473 0.4473 1.2563 1.2563 1.2886 1.2886 1.2887 1.2887 5.7165 5.7165 10.4003 10.4003 10.4006 10.4006 10.6784 10.6784 10.6794 10.6794 10.9020 10.9020 12.8395 12.8395 12.8398 12.8398 13.3952 13.3952 14.2263 14.2263 14.2278 14.2278 15.4168 15.4168 15.9985 15.9985 16.0086 16.0086 18.1051 18.1051 18.1053 18.1053 18.7878 18.7878 k = 0.0238 0.0137 0.0097 ( 2840 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5957 -12.5957 -12.5957 -12.5957 0.4472 0.4472 0.4472 0.4472 1.2563 1.2563 1.2886 1.2886 1.2887 1.2887 5.7219 5.7219 10.3987 10.3987 10.3997 10.3997 10.6797 10.6797 10.6837 10.6837 10.9040 10.9040 12.8380 12.8380 12.8392 12.8392 13.3933 13.3933 14.2145 14.2145 14.2204 14.2204 15.4151 15.4151 15.9754 15.9754 16.0142 16.0142 18.1003 18.1003 18.1009 18.1009 18.8083 18.8083 k = 0.0357 0.0206 0.0146 ( 2822 PWs) bands (ev): -34.1112 -34.1112 -13.1018 -13.1018 -12.5957 -12.5957 -12.5956 -12.5956 0.4474 0.4474 0.4474 0.4474 1.2565 1.2565 1.2888 1.2888 1.2890 1.2890 5.7310 5.7310 10.3960 10.3960 10.3983 10.3983 10.6815 10.6815 10.6906 10.6906 10.9075 10.9075 12.8357 12.8357 12.8383 12.8383 13.3904 13.3904 14.1952 14.1952 14.2081 14.2081 15.4096 15.4096 15.9408 15.9408 16.0237 16.0237 18.0924 18.0924 18.0937 18.0937 18.8344 18.8344 k = 0.0476 0.0275 0.0194 ( 2816 PWs) bands (ev): -34.1112 -34.1112 -13.1018 -13.1018 -12.5958 -12.5958 -12.5956 -12.5956 0.4474 0.4474 0.4476 0.4476 1.2566 1.2566 1.2889 1.2889 1.2893 1.2893 5.7436 5.7436 10.3924 10.3924 10.3965 10.3965 10.6838 10.6838 10.7000 10.7000 10.9124 10.9124 12.8323 12.8323 12.8368 12.8368 13.3861 13.3861 14.1691 14.1691 14.1912 14.1912 15.3955 15.3955 15.9007 15.9007 16.0366 16.0366 18.0815 18.0815 18.0839 18.0839 18.8198 18.8198 k = 0.0595 0.0344 0.0243 ( 2816 PWs) bands (ev): -34.1112 -34.1112 -13.1019 -13.1019 -12.5959 -12.5959 -12.5956 -12.5956 0.4474 0.4474 0.4477 0.4477 1.2566 1.2566 1.2889 1.2889 1.2896 1.2896 5.7599 5.7599 10.3880 10.3880 10.3946 10.3946 10.6863 10.6863 10.7117 10.7117 10.9189 10.9189 12.8280 12.8280 12.8349 12.8349 13.3805 13.3805 14.1368 14.1368 14.1700 14.1700 15.3664 15.3664 15.8632 15.8632 16.0526 16.0526 18.0679 18.0679 18.0718 18.0718 18.7824 18.7824 k = 0.0714 0.0412 0.0292 ( 2816 PWs) bands (ev): -34.1111 -34.1111 -13.1019 -13.1019 -12.5960 -12.5960 -12.5956 -12.5956 0.4474 0.4474 0.4478 0.4478 1.2567 1.2567 1.2890 1.2890 1.2900 1.2900 5.7797 5.7797 10.3830 10.3830 10.3927 10.3927 10.6888 10.6888 10.7255 10.7255 10.9272 10.9272 12.8228 12.8228 12.8324 12.8324 13.3735 13.3735 14.0991 14.0991 14.1448 14.1448 15.3160 15.3160 15.8364 15.8364 16.0714 16.0714 18.0518 18.0518 18.0576 18.0576 18.7416 18.7416 k = 0.0833 0.0481 0.0340 ( 2815 PWs) bands (ev): -34.1111 -34.1111 -13.1019 -13.1019 -12.5962 -12.5962 -12.5956 -12.5956 0.4474 0.4474 0.4479 0.4479 1.2568 1.2568 1.2891 1.2891 1.2904 1.2904 5.8030 5.8030 10.3775 10.3775 10.3911 10.3911 10.6911 10.6911 10.7411 10.7411 10.9374 10.9374 12.8166 12.8166 12.8292 12.8292 13.3650 13.3650 14.0568 14.0568 14.1158 14.1158 15.2415 15.2415 15.8247 15.8247 16.0927 16.0927 18.0337 18.0337 18.0419 18.0419 18.7002 18.7002 k = 0.0952 0.0550 0.0389 ( 2821 PWs) bands (ev): -34.1111 -34.1111 -13.1020 -13.1020 -12.5964 -12.5964 -12.5956 -12.5956 0.4473 0.4473 0.4481 0.4481 1.2568 1.2568 1.2891 1.2891 1.2908 1.2908 5.8299 5.8299 10.3715 10.3715 10.3899 10.3899 10.6932 10.6932 10.7583 10.7583 10.9494 10.9494 12.8094 12.8094 12.8253 12.8253 13.3549 13.3549 14.0105 14.0105 14.0836 14.0836 15.1453 15.1453 15.8274 15.8274 16.1160 16.1160 18.0139 18.0139 18.0249 18.0249 18.6594 18.6594 k = 0.1071 0.0619 0.0437 ( 2827 PWs) bands (ev): -34.1111 -34.1111 -13.1020 -13.1020 -12.5966 -12.5966 -12.5956 -12.5956 0.4473 0.4473 0.4482 0.4482 1.2568 1.2568 1.2892 1.2892 1.2914 1.2914 5.8602 5.8602 10.3653 10.3653 10.3893 10.3893 10.6951 10.6951 10.7769 10.7769 10.9632 10.9632 12.8013 12.8013 12.8206 12.8206 13.3430 13.3430 13.9611 13.9611 14.0484 14.0484 15.0324 15.0324 15.8411 15.8411 16.1408 16.1408 17.9928 17.9928 18.0071 18.0071 18.6196 18.6196 k = 0.1190 0.0687 0.0486 ( 2830 PWs) bands (ev): -34.1111 -34.1111 -13.1021 -13.1021 -12.5969 -12.5969 -12.5956 -12.5956 0.4473 0.4473 0.4484 0.4484 1.2568 1.2568 1.2893 1.2893 1.2919 1.2919 5.8940 5.8940 10.3588 10.3588 10.3894 10.3894 10.6969 10.6969 10.7969 10.7969 10.9788 10.9788 12.7923 12.7923 12.8150 12.8150 13.3291 13.3291 13.9092 13.9092 14.0107 14.0107 14.9076 14.9076 15.8623 15.8623 16.1669 16.1669 17.9707 17.9707 17.9887 17.9887 18.5812 18.5812 k = 0.1310 0.0756 0.0535 ( 2830 PWs) bands (ev): -34.1110 -34.1110 -13.1022 -13.1022 -12.5971 -12.5971 -12.5956 -12.5956 0.4473 0.4473 0.4486 0.4486 1.2569 1.2569 1.2894 1.2894 1.2925 1.2925 5.9312 5.9312 10.3520 10.3520 10.3902 10.3902 10.6987 10.6987 10.8180 10.8180 10.9958 10.9958 12.7823 12.7823 12.8083 12.8083 13.3129 13.3129 13.8553 13.8553 13.9707 13.9707 14.7748 14.7748 15.8884 15.8884 16.1938 16.1938 17.9481 17.9481 17.9703 17.9703 18.5444 18.5444 k = 0.1429 0.0825 0.0583 ( 2836 PWs) bands (ev): -34.1110 -34.1110 -13.1022 -13.1022 -12.5974 -12.5974 -12.5956 -12.5956 0.4472 0.4472 0.4488 0.4488 1.2570 1.2570 1.2894 1.2894 1.2931 1.2931 5.9717 5.9717 10.3449 10.3449 10.3919 10.3919 10.7007 10.7007 10.8401 10.8401 11.0142 11.0142 12.7714 12.7714 12.8006 12.8006 13.2940 13.2940 13.7999 13.7999 13.9288 13.9288 14.6371 14.6371 15.9174 15.9174 16.2210 16.2210 17.9255 17.9255 17.9520 17.9520 18.5091 18.5091 k = 0.1548 0.0894 0.0632 ( 2836 PWs) bands (ev): -34.1110 -34.1110 -13.1023 -13.1023 -12.5977 -12.5977 -12.5956 -12.5956 0.4472 0.4472 0.4490 0.4490 1.2571 1.2571 1.2896 1.2896 1.2938 1.2938 6.0156 6.0156 10.3375 10.3375 10.3945 10.3945 10.7033 10.7033 10.8630 10.8630 11.0338 11.0338 12.7596 12.7596 12.7918 12.7918 13.2719 13.2719 13.7437 13.7437 13.8853 13.8853 14.4970 14.4970 15.9482 15.9482 16.2481 16.2481 17.9031 17.9031 17.9344 17.9344 18.4753 18.4753 k = 0.1667 0.0962 0.0680 ( 2836 PWs) bands (ev): -34.1110 -34.1110 -13.1024 -13.1024 -12.5980 -12.5980 -12.5956 -12.5956 0.4472 0.4472 0.4493 0.4493 1.2573 1.2573 1.2897 1.2897 1.2946 1.2946 6.0627 6.0627 10.3297 10.3297 10.3981 10.3981 10.7065 10.7065 10.8868 10.8868 11.0543 11.0543 12.7469 12.7469 12.7816 12.7816 13.2461 13.2461 13.6871 13.6871 13.8405 13.8405 14.3568 14.3568 15.9798 15.9798 16.2749 16.2749 17.8816 17.8816 17.9175 17.9175 18.4429 18.4429 k = 0.1786 0.1031 0.0729 ( 2848 PWs) bands (ev): -34.1109 -34.1109 -13.1025 -13.1025 -12.5984 -12.5984 -12.5956 -12.5956 0.4470 0.4470 0.4495 0.4495 1.2573 1.2573 1.2898 1.2898 1.2953 1.2953 6.1129 6.1129 10.3213 10.3213 10.4026 10.4026 10.7106 10.7106 10.9112 10.9112 11.0756 11.0756 12.7333 12.7333 12.7701 12.7701 13.2159 13.2159 13.6303 13.6303 13.7948 13.7948 14.2185 14.2185 16.0114 16.0114 16.3008 16.3008 17.8611 17.8611 17.9019 17.9019 18.4120 18.4120 k = 0.1905 0.1100 0.0778 ( 2857 PWs) bands (ev): -34.1109 -34.1109 -13.1026 -13.1026 -12.5987 -12.5987 -12.5956 -12.5956 0.4470 0.4470 0.4497 0.4497 1.2573 1.2573 1.2899 1.2899 1.2959 1.2959 6.1662 6.1662 10.3123 10.3123 10.4082 10.4082 10.7158 10.7158 10.9361 10.9361 11.0974 11.0974 12.7188 12.7188 12.7571 12.7571 13.1804 13.1804 13.5735 13.5735 13.7482 13.7482 14.0844 14.0844 16.0425 16.0425 16.3256 16.3256 17.8423 17.8423 17.8876 17.8876 18.3823 18.3823 k = 0.2024 0.1168 0.0826 ( 2866 PWs) bands (ev): -34.1109 -34.1109 -13.1027 -13.1027 -12.5991 -12.5991 -12.5956 -12.5956 0.4469 0.4469 0.4499 0.4499 1.2574 1.2574 1.2901 1.2901 1.2967 1.2967 6.2225 6.2225 10.3023 10.3023 10.4147 10.4147 10.7223 10.7223 10.9616 10.9616 11.1194 11.1194 12.7034 12.7034 12.7424 12.7424 13.1389 13.1389 13.5167 13.5167 13.7012 13.7012 13.9567 13.9567 16.0728 16.0728 16.3490 16.3490 17.8253 17.8253 17.8749 17.8749 18.3539 18.3539 k = 0.2143 0.1237 0.0875 ( 2866 PWs) bands (ev): -34.1108 -34.1108 -13.1027 -13.1027 -12.5994 -12.5994 -12.5956 -12.5956 0.4468 0.4468 0.4502 0.4502 1.2575 1.2575 1.2903 1.2903 1.2975 1.2975 6.2818 6.2818 10.2914 10.2914 10.4222 10.4222 10.7302 10.7302 10.9874 10.9874 11.1415 11.1415 12.6872 12.6872 12.7257 12.7257 13.0908 13.0908 13.4590 13.4590 13.6539 13.6539 13.8384 13.8384 16.1020 16.1020 16.3706 16.3706 17.8106 17.8106 17.8640 17.8640 18.3266 18.3266 k = 0.2262 0.1306 0.0923 ( 2860 PWs) bands (ev): -34.1108 -34.1108 -13.1028 -13.1028 -12.5997 -12.5997 -12.5956 -12.5956 0.4469 0.4469 0.4506 0.4506 1.2577 1.2577 1.2905 1.2905 1.2985 1.2985 6.3439 6.3439 10.2791 10.2791 10.4307 10.4307 10.7397 10.7397 11.0136 11.0136 11.1635 11.1635 12.6702 12.6702 12.7066 12.7066 13.0358 13.0358 13.3993 13.3993 13.6066 13.6066 13.7324 13.7324 16.1297 16.1297 16.3903 16.3903 17.7983 17.7983 17.8550 17.8550 18.3004 18.3004 k = 0.2381 0.1375 0.0972 ( 2860 PWs) bands (ev): -34.1108 -34.1108 -13.1029 -13.1029 -12.6001 -12.6001 -12.5956 -12.5956 0.4468 0.4468 0.4509 0.4509 1.2579 1.2579 1.2907 1.2907 1.2993 1.2993 6.4086 6.4086 10.2653 10.2653 10.4400 10.4400 10.7508 10.7508 11.0401 11.0401 11.1851 11.1851 12.6525 12.6525 12.6843 12.6843 12.9745 12.9745 13.3364 13.3364 13.5594 13.5594 13.6413 13.6413 16.1558 16.1558 16.4077 16.4077 17.7888 17.7888 17.8481 17.8481 18.2753 18.2753 k = 0.2500 0.1443 0.1021 ( 2860 PWs) bands (ev): -34.1107 -34.1107 -13.1029 -13.1029 -12.6004 -12.6004 -12.5956 -12.5956 0.4468 0.4468 0.4512 0.4512 1.2580 1.2580 1.2910 1.2910 1.3002 1.3002 6.4760 6.4760 10.2495 10.2495 10.4502 10.4502 10.7636 10.7636 11.0667 11.0667 11.2060 11.2060 12.6339 12.6339 12.6576 12.6576 12.9085 12.9085 13.2703 13.2703 13.5126 13.5126 13.5657 13.5657 16.1801 16.1801 16.4228 16.4228 17.7822 17.7822 17.8433 17.8433 18.2511 18.2511 k = 0.2619 0.1512 0.1069 ( 2866 PWs) bands (ev): -34.1107 -34.1107 -13.1030 -13.1030 -12.6008 -12.6008 -12.5956 -12.5956 0.4468 0.4468 0.4515 0.4515 1.2582 1.2582 1.2911 1.2911 1.3010 1.3010 6.5458 6.5458 10.2316 10.2316 10.4612 10.4612 10.7781 10.7781 11.0935 11.0935 11.2259 11.2259 12.6146 12.6146 12.6242 12.6242 12.8413 12.8413 13.2023 13.2023 13.4664 13.4664 13.5042 13.5042 16.2026 16.2026 16.4355 16.4355 17.7786 17.7786 17.8406 17.8406 18.2278 18.2278 k = 0.2738 0.1581 0.1118 ( 2866 PWs) bands (ev): -34.1107 -34.1107 -13.1031 -13.1031 -12.6011 -12.6011 -12.5956 -12.5956 0.4468 0.4468 0.4518 0.4518 1.2583 1.2583 1.2914 1.2914 1.3019 1.3019 6.6179 6.6179 10.2110 10.2110 10.4728 10.4728 10.7944 10.7944 11.1203 11.1203 11.2447 11.2447 12.5810 12.5810 12.5947 12.5947 12.7780 12.7780 13.1346 13.1346 13.4209 13.4209 13.4538 13.4538 16.2231 16.2231 16.4457 16.4457 17.7780 17.7780 17.8400 17.8400 18.2054 18.2054 k = 0.2857 0.1650 0.1166 ( 2860 PWs) bands (ev): -34.1106 -34.1106 -13.1031 -13.1031 -12.6015 -12.6015 -12.5956 -12.5956 0.4468 0.4468 0.4521 0.4521 1.2585 1.2585 1.2916 1.2916 1.3029 1.3029 6.6922 6.6922 10.1874 10.1874 10.4851 10.4851 10.8124 10.8124 11.1471 11.1471 11.2618 11.2618 12.5260 12.5260 12.5741 12.5741 12.7230 12.7230 13.0694 13.0694 13.3764 13.3764 13.4113 13.4113 16.2418 16.2418 16.4535 16.4535 17.7802 17.7802 17.8415 17.8415 18.1838 18.1838 k = 0.2976 0.1718 0.1215 ( 2866 PWs) bands (ev): -34.1106 -34.1106 -13.1032 -13.1032 -12.6018 -12.6018 -12.5956 -12.5956 0.4468 0.4468 0.4523 0.4523 1.2586 1.2586 1.2918 1.2918 1.3037 1.3037 6.7684 6.7684 10.1604 10.1604 10.4979 10.4979 10.8322 10.8322 11.1738 11.1738 11.2771 11.2771 12.4608 12.4608 12.5529 12.5529 12.6770 12.6770 13.0077 13.0077 13.3330 13.3330 13.3742 13.3742 16.2585 16.2585 16.4591 16.4591 17.7853 17.7853 17.8450 17.8450 18.1631 18.1631 k = 0.3095 0.1787 0.1264 ( 2872 PWs) bands (ev): -34.1106 -34.1106 -13.1033 -13.1033 -12.6021 -12.6021 -12.5956 -12.5956 0.4467 0.4467 0.4526 0.4526 1.2588 1.2588 1.2919 1.2919 1.3045 1.3045 6.8463 6.8463 10.1296 10.1296 10.5110 10.5110 10.8536 10.8536 11.2003 11.2003 11.2902 11.2902 12.3905 12.3905 12.5313 12.5313 12.6372 12.6372 12.9503 12.9503 13.2909 13.2909 13.3409 13.3409 16.2733 16.2733 16.4625 16.4625 17.7928 17.7928 17.8502 17.8502 18.1430 18.1430 k = 0.3214 0.1856 0.1312 ( 2872 PWs) bands (ev): -34.1105 -34.1105 -13.1034 -13.1034 -12.6025 -12.6025 -12.5956 -12.5956 0.4466 0.4466 0.4529 0.4529 1.2589 1.2589 1.2922 1.2922 1.3053 1.3053 6.9258 6.9258 10.0945 10.0945 10.5245 10.5245 10.8766 10.8766 11.2266 11.2266 11.3008 11.3008 12.3200 12.3200 12.5092 12.5092 12.6004 12.6004 12.8976 12.8976 13.2504 13.2504 13.3104 13.3104 16.2864 16.2864 16.4640 16.4640 17.8026 17.8026 17.8570 17.8570 18.1237 18.1237 k = 0.3333 0.1925 0.1361 ( 2872 PWs) bands (ev): -34.1105 -34.1105 -13.1035 -13.1035 -12.6028 -12.6028 -12.5956 -12.5956 0.4466 0.4466 0.4532 0.4532 1.2590 1.2590 1.2924 1.2924 1.3061 1.3061 7.0064 7.0064 10.0551 10.0551 10.5381 10.5381 10.9012 10.9012 11.2525 11.2525 11.3086 11.3086 12.2530 12.2530 12.4868 12.4868 12.5646 12.5646 12.8498 12.8498 13.2116 13.2116 13.2818 13.2818 16.2978 16.2978 16.4639 16.4639 17.8143 17.8143 17.8653 17.8653 18.1050 18.1050 k = 0.3452 0.1993 0.1409 ( 2878 PWs) bands (ev): -34.1105 -34.1105 -13.1035 -13.1035 -12.6031 -12.6031 -12.5956 -12.5956 0.4465 0.4465 0.4534 0.4534 1.2591 1.2591 1.2925 1.2925 1.3068 1.3068 7.0880 7.0880 10.0110 10.0110 10.5517 10.5517 10.9271 10.9271 11.2780 11.2780 11.3137 11.3137 12.1914 12.1914 12.4642 12.4642 12.5287 12.5287 12.8070 12.8070 13.1746 13.1746 13.2550 13.2550 16.3077 16.3077 16.4624 16.4624 17.8276 17.8276 17.8747 17.8747 18.0868 18.0868 k = 0.3571 0.2062 0.1458 ( 2869 PWs) bands (ev): -34.1104 -34.1104 -13.1036 -13.1036 -12.6033 -12.6033 -12.5956 -12.5956 0.4467 0.4467 0.4536 0.4536 1.2594 1.2594 1.2928 1.2928 1.3076 1.3076 7.1701 7.1701 9.9624 9.9624 10.5652 10.5652 10.9542 10.9542 11.3029 11.3029 11.3159 11.3159 12.1363 12.1363 12.4415 12.4415 12.4928 12.4928 12.7690 12.7690 13.1397 13.1397 13.2295 13.2295 16.3161 16.3161 16.4597 16.4597 17.8420 17.8420 17.8849 17.8849 18.0690 18.0690 k = 0.3690 0.2131 0.1507 ( 2869 PWs) bands (ev): -34.1104 -34.1104 -13.1036 -13.1036 -12.6036 -12.6036 -12.5956 -12.5956 0.4467 0.4467 0.4538 0.4538 1.2595 1.2595 1.2930 1.2930 1.3083 1.3083 7.2523 7.2523 9.9095 9.9095 10.5784 10.5784 10.9823 10.9823 11.3156 11.3156 11.3272 11.3272 12.0879 12.0879 12.4190 12.4190 12.4573 12.4573 12.7354 12.7354 13.1070 13.1070 13.2054 13.2054 16.3232 16.3232 16.4563 16.4563 17.8572 17.8572 17.8957 17.8957 18.0514 18.0514 k = 0.3810 0.2199 0.1555 ( 2869 PWs) bands (ev): -34.1104 -34.1104 -13.1037 -13.1037 -12.6038 -12.6038 -12.5956 -12.5956 0.4467 0.4467 0.4541 0.4541 1.2597 1.2597 1.2931 1.2931 1.3089 1.3089 7.3340 7.3340 9.8529 9.8529 10.5912 10.5912 11.0111 11.0111 11.3134 11.3134 11.3505 11.3505 12.0455 12.0455 12.3968 12.3968 12.4232 12.4232 12.7058 12.7058 13.0767 13.0767 13.1825 13.1825 16.3291 16.3291 16.4522 16.4522 17.8726 17.8726 17.9066 17.9066 18.0341 18.0341 k = 0.3929 0.2268 0.1604 ( 2869 PWs) bands (ev): -34.1104 -34.1104 -13.1037 -13.1037 -12.6040 -12.6040 -12.5956 -12.5956 0.4467 0.4467 0.4542 0.4542 1.2598 1.2598 1.2933 1.2933 1.3094 1.3094 7.4146 7.4146 9.7934 9.7934 10.6033 10.6033 11.0402 11.0402 11.3097 11.3097 11.3729 11.3729 12.0083 12.0083 12.3751 12.3751 12.3914 12.3914 12.6797 12.6797 13.0488 13.0488 13.1611 13.1611 16.3341 16.3341 16.4478 16.4478 17.8881 17.8881 17.9171 17.9171 18.0168 18.0168 k = 0.4048 0.2337 0.1652 ( 2869 PWs) bands (ev): -34.1103 -34.1103 -13.1038 -13.1038 -12.6042 -12.6042 -12.5956 -12.5956 0.4467 0.4467 0.4544 0.4544 1.2599 1.2599 1.2935 1.2935 1.3100 1.3100 7.4933 7.4933 9.7320 9.7320 10.6147 10.6147 11.0693 11.0693 11.3055 11.3055 11.3941 11.3941 11.9750 11.9750 12.3543 12.3543 12.3629 12.3629 12.6566 12.6566 13.0236 13.0236 13.1411 13.1411 16.3381 16.3381 16.4432 16.4432 17.9031 17.9031 17.9265 17.9265 18.0000 18.0000 k = 0.4167 0.2406 0.1701 ( 2869 PWs) bands (ev): -34.1103 -34.1103 -13.1038 -13.1038 -12.6044 -12.6044 -12.5956 -12.5956 0.4467 0.4467 0.4546 0.4546 1.2600 1.2600 1.2936 1.2936 1.3104 1.3104 7.5690 7.5690 9.6701 9.6701 10.6252 10.6252 11.0976 11.0976 11.3013 11.3013 11.4137 11.4137 11.9445 11.9445 12.3346 12.3346 12.3386 12.3386 12.6363 12.6363 13.0010 13.0010 13.1229 13.1229 16.3413 16.3413 16.4388 16.4388 17.9172 17.9172 17.9328 17.9328 17.9853 17.9853 k = 0.4286 0.2474 0.1750 ( 2863 PWs) bands (ev): -34.1103 -34.1103 -13.1038 -13.1038 -12.6046 -12.6046 -12.5956 -12.5956 0.4468 0.4468 0.4548 0.4548 1.2602 1.2602 1.2938 1.2938 1.3109 1.3109 7.6404 7.6404 9.6095 9.6095 10.6347 10.6347 11.1242 11.1242 11.2982 11.2982 11.4317 11.4317 11.9161 11.9161 12.3164 12.3164 12.3188 12.3188 12.6185 12.6185 12.9813 12.9813 13.1065 13.1065 16.3439 16.3439 16.4346 16.4346 17.9303 17.9303 17.9319 17.9319 17.9767 17.9767 k = 0.4405 0.2543 0.1798 ( 2869 PWs) bands (ev): -34.1103 -34.1103 -13.1039 -13.1039 -12.6047 -12.6047 -12.5956 -12.5956 0.4467 0.4467 0.4549 0.4549 1.2602 1.2602 1.2938 1.2938 1.3113 1.3113 7.7062 7.7062 9.5520 9.5520 10.6429 10.6429 11.1483 11.1483 11.2966 11.2966 11.4476 11.4476 11.8896 11.8896 12.3001 12.3001 12.3034 12.3034 12.6032 12.6032 12.9645 12.9645 13.0922 13.0922 16.3459 16.3459 16.4308 16.4308 17.9219 17.9219 17.9418 17.9418 17.9769 17.9769 k = 0.4524 0.2612 0.1847 ( 2872 PWs) bands (ev): -34.1103 -34.1103 -13.1039 -13.1039 -12.6048 -12.6048 -12.5956 -12.5956 0.4466 0.4466 0.4549 0.4549 1.2603 1.2603 1.2939 1.2939 1.3115 1.3115 7.7643 7.7643 9.5000 9.5000 10.6499 10.6499 11.1685 11.1685 11.2972 11.2972 11.4612 11.4612 11.8653 11.8653 12.2861 12.2861 12.2923 12.2923 12.5904 12.5904 12.9507 12.9507 13.0802 13.0802 16.3474 16.3474 16.4275 16.4275 17.9077 17.9077 17.9517 17.9517 17.9813 17.9813 k = 0.4643 0.2681 0.1895 ( 2872 PWs) bands (ev): -34.1103 -34.1103 -13.1039 -13.1039 -12.6049 -12.6049 -12.5956 -12.5956 0.4466 0.4466 0.4550 0.4550 1.2603 1.2603 1.2939 1.2939 1.3117 1.3117 7.8129 7.8129 9.4557 9.4557 10.6554 10.6554 11.1839 11.1839 11.2999 11.2999 11.4722 11.4722 11.8443 11.8443 12.2747 12.2747 12.2848 12.2848 12.5802 12.5802 12.9399 12.9399 13.0706 13.0706 16.3485 16.3485 16.4248 16.4248 17.8941 17.8941 17.9596 17.9596 17.9865 17.9865 k = 0.4762 0.2749 0.1944 ( 2881 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6050 -12.6050 -12.5956 -12.5956 0.4466 0.4466 0.4550 0.4550 1.2602 1.2602 1.2940 1.2940 1.3117 1.3117 7.8497 7.8497 9.4218 9.4218 10.6594 10.6594 11.1943 11.1943 11.3038 11.3038 11.4803 11.4803 11.8277 11.8277 12.2662 12.2662 12.2800 12.2800 12.5727 12.5727 12.9321 12.9321 13.0636 13.0636 16.3492 16.3492 16.4229 16.4229 17.8832 17.8832 17.9654 17.9654 17.9909 17.9909 k = 0.4881 0.2818 0.1993 ( 2884 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6051 -12.6051 -12.5956 -12.5956 0.4465 0.4465 0.4550 0.4550 1.2602 1.2602 1.2940 1.2940 1.3118 1.3118 7.8728 7.8728 9.4004 9.4004 10.6618 10.6618 11.2000 11.2000 11.3074 11.3074 11.4852 11.4852 11.8171 11.8171 12.2610 12.2610 12.2775 12.2775 12.5681 12.5681 12.9275 12.9275 13.0594 13.0594 16.3496 16.3496 16.4217 16.4217 17.8762 17.8762 17.9689 17.9689 17.9938 17.9938 k = 0.5000 0.2887 0.2041 ( 2884 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6051 -12.6051 -12.5956 -12.5956 0.4465 0.4465 0.4550 0.4550 1.2602 1.2602 1.2940 1.2940 1.3119 1.3119 7.8807 7.8807 9.3931 9.3931 10.6626 10.6626 11.2018 11.2018 11.3088 11.3088 11.4869 11.4869 11.8134 11.8134 12.2593 12.2593 12.2767 12.2767 12.5666 12.5666 12.9259 12.9259 13.0580 13.0580 16.3497 16.3497 16.4213 16.4213 17.8739 17.8739 17.9701 17.9701 17.9949 17.9949 k = 0.5000 0.2887 0.2041 ( 2884 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6051 -12.6051 -12.5956 -12.5956 0.4465 0.4465 0.4550 0.4550 1.2602 1.2602 1.2940 1.2940 1.3119 1.3119 7.8807 7.8807 9.3931 9.3931 10.6626 10.6626 11.2018 11.2018 11.3088 11.3088 11.4869 11.4869 11.8134 11.8134 12.2593 12.2593 12.2767 12.2767 12.5666 12.5666 12.9259 12.9259 13.0580 13.0580 16.3497 16.3497 16.4213 16.4213 17.8739 17.8739 17.9701 17.9701 17.9949 17.9949 k = 0.5042 0.2766 0.2109 ( 2884 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6051 -12.6051 -12.5956 -12.5956 0.4465 0.4465 0.4550 0.4550 1.2602 1.2602 1.2940 1.2940 1.3118 1.3118 7.8813 7.8813 9.3943 9.3943 10.6625 10.6625 11.1999 11.1999 11.3085 11.3085 11.4875 11.4875 11.8123 11.8123 12.2606 12.2606 12.2771 12.2771 12.5679 12.5679 12.9261 12.9261 13.0589 13.0589 16.3462 16.3462 16.4170 16.4170 17.8722 17.8722 17.9501 17.9501 17.9883 17.9883 k = 0.5083 0.2646 0.2177 ( 2883 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6051 -12.6051 -12.5956 -12.5956 0.4465 0.4465 0.4550 0.4550 1.2602 1.2602 1.2940 1.2940 1.3118 1.3118 7.8834 7.8834 9.3979 9.3979 10.6621 10.6621 11.1943 11.1943 11.3076 11.3076 11.4894 11.4894 11.8090 11.8090 12.2639 12.2639 12.2791 12.2791 12.5718 12.5718 12.9266 12.9266 13.0616 13.0616 16.3340 16.3340 16.4061 16.4061 17.8669 17.8669 17.9095 17.9095 17.9841 17.9841 k = 0.5125 0.2526 0.2245 ( 2871 PWs) bands (ev): -34.1103 -34.1103 -13.1039 -13.1039 -12.6050 -12.6050 -12.5957 -12.5957 0.4466 0.4466 0.4550 0.4550 1.2603 1.2603 1.2941 1.2941 1.3118 1.3118 7.8868 7.8868 9.4040 9.4040 10.6613 10.6613 11.1853 11.1853 11.3064 11.3064 11.4922 11.4922 11.8039 11.8039 12.2671 12.2671 12.2844 12.2844 12.5782 12.5782 12.9275 12.9275 13.0661 13.0661 16.3097 16.3097 16.3931 16.3931 17.8523 17.8523 17.8758 17.8758 17.9801 17.9801 k = 0.5167 0.2406 0.2313 ( 2869 PWs) bands (ev): -34.1103 -34.1103 -13.1039 -13.1039 -12.6050 -12.6050 -12.5957 -12.5957 0.4466 0.4466 0.4550 0.4550 1.2603 1.2603 1.2942 1.2942 1.3117 1.3117 7.8917 7.8917 9.4124 9.4124 10.6598 10.6598 11.1735 11.1735 11.3047 11.3047 11.4957 11.4957 11.7975 11.7975 12.2689 12.2689 12.2940 12.2940 12.5867 12.5867 12.9288 12.9288 13.0723 13.0723 16.2715 16.2715 16.3814 16.3814 17.8205 17.8205 17.8611 17.8611 17.9752 17.9752 k = 0.5208 0.2285 0.2381 ( 2874 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6049 -12.6049 -12.5958 -12.5958 0.4465 0.4465 0.4548 0.4548 1.2602 1.2602 1.2941 1.2941 1.3114 1.3114 7.8978 7.8978 9.4231 9.4231 10.6575 10.6575 11.1594 11.1594 11.3026 11.3026 11.4995 11.4995 11.7901 11.7901 12.2696 12.2696 12.3070 12.3070 12.5972 12.5972 12.9307 12.9307 13.0803 13.0803 16.2210 16.2210 16.3707 16.3707 17.7851 17.7851 17.8516 17.8516 17.9692 17.9692 k = 0.5250 0.2165 0.2449 ( 2872 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6049 -12.6049 -12.5959 -12.5959 0.4465 0.4465 0.4547 0.4547 1.2603 1.2603 1.2942 1.2942 1.3112 1.3112 7.9053 7.9053 9.4359 9.4359 10.6540 10.6540 11.1440 11.1440 11.3003 11.3003 11.5033 11.5033 11.7824 11.7824 12.2702 12.2702 12.3224 12.3224 12.6094 12.6094 12.9332 12.9332 13.0900 13.0900 16.1612 16.1612 16.3602 16.3602 17.7491 17.7491 17.8435 17.8435 17.9622 17.9622 k = 0.5292 0.2045 0.2518 ( 2867 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6048 -12.6048 -12.5960 -12.5960 0.4465 0.4465 0.4546 0.4546 1.2603 1.2603 1.2943 1.2943 1.3109 1.3109 7.9142 7.9142 9.4507 9.4507 10.6488 10.6488 11.1281 11.1281 11.2975 11.2975 11.5071 11.5071 11.7749 11.7749 12.2708 12.2708 12.3396 12.3396 12.6227 12.6227 12.9366 12.9366 13.1012 13.1012 16.0945 16.0945 16.3491 16.3491 17.7114 17.7114 17.8369 17.8369 17.9545 17.9545 k = 0.5333 0.1925 0.2586 ( 2865 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6047 -12.6047 -12.5961 -12.5961 0.4464 0.4464 0.4544 0.4544 1.2603 1.2603 1.2943 1.2943 1.3106 1.3106 7.9244 7.9244 9.4673 9.4673 10.6414 10.6414 11.1124 11.1124 11.2945 11.2945 11.5107 11.5107 11.7677 11.7677 12.2716 12.2716 12.3580 12.3580 12.6369 12.6369 12.9408 12.9408 13.1140 13.1140 16.0227 16.0227 16.3368 16.3368 17.6704 17.6704 17.8324 17.8324 17.9462 17.9462 k = 0.5375 0.1804 0.2654 ( 2865 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6047 -12.6047 -12.5962 -12.5962 0.4464 0.4464 0.4543 0.4543 1.2602 1.2602 1.2944 1.2944 1.3103 1.3103 7.9358 7.9358 9.4856 9.4856 10.6314 10.6314 11.0978 11.0978 11.2911 11.2911 11.5140 11.5140 11.7614 11.7614 12.2725 12.2725 12.3775 12.3775 12.6516 12.6516 12.9462 12.9462 13.1280 13.1280 15.9473 15.9473 16.3233 16.3233 17.6250 17.6250 17.8302 17.8302 17.9375 17.9375 k = 0.5417 0.1684 0.2722 ( 2868 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6046 -12.6046 -12.5963 -12.5963 0.4463 0.4463 0.4540 0.4540 1.2601 1.2601 1.2944 1.2944 1.3099 1.3099 7.9486 7.9486 9.5052 9.5052 10.6182 10.6182 11.0850 11.0850 11.2874 11.2874 11.5171 11.5171 11.7561 11.7561 12.2738 12.2738 12.3979 12.3979 12.6664 12.6664 12.9528 12.9528 13.1433 13.1433 15.8695 15.8695 16.3083 16.3083 17.5745 17.5745 17.8303 17.8303 17.9289 17.9289 k = 0.5458 0.1564 0.2790 ( 2874 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6045 -12.6045 -12.5965 -12.5965 0.4461 0.4461 0.4537 0.4537 1.2600 1.2600 1.2944 1.2944 1.3095 1.3095 7.9626 7.9626 9.5261 9.5261 10.6016 10.6016 11.0745 11.0745 11.2835 11.2835 11.5201 11.5201 11.7519 11.7519 12.2752 12.2752 12.4191 12.4191 12.6811 12.6811 12.9606 12.9606 13.1596 13.1596 15.7901 15.7901 16.2917 16.2917 17.5186 17.5186 17.8322 17.8322 17.9206 17.9206 k = 0.5500 0.1443 0.2858 ( 2877 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6044 -12.6044 -12.5966 -12.5966 0.4460 0.4460 0.4535 0.4535 1.2598 1.2598 1.2944 1.2944 1.3091 1.3091 7.9778 7.9778 9.5479 9.5479 10.5814 10.5814 11.0668 11.0668 11.2795 11.2795 11.5230 11.5230 11.7492 11.7492 12.2768 12.2768 12.4409 12.4409 12.6954 12.6954 12.9696 12.9696 13.1767 13.1767 15.7099 15.7099 16.2736 16.2736 17.4573 17.4573 17.8356 17.8356 17.9132 17.9132 k = 0.5542 0.1323 0.2926 ( 2873 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6043 -12.6043 -12.5968 -12.5968 0.4460 0.4460 0.4533 0.4533 1.2598 1.2598 1.2945 1.2945 1.3088 1.3088 7.9941 7.9941 9.5702 9.5702 10.5579 10.5579 11.0617 11.0617 11.2756 11.2756 11.5260 11.5260 11.7480 11.7480 12.2785 12.2785 12.4634 12.4634 12.7093 12.7093 12.9797 12.9797 13.1943 13.1943 15.6296 15.6296 16.2539 16.2539 17.3909 17.3909 17.8397 17.8397 17.9073 17.9073 k = 0.5583 0.1203 0.2994 ( 2873 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6042 -12.6042 -12.5970 -12.5970 0.4459 0.4459 0.4530 0.4530 1.2597 1.2597 1.2945 1.2945 1.3084 1.3084 8.0115 8.0115 9.5928 9.5928 10.5312 10.5312 11.0593 11.0593 11.2717 11.2717 11.5290 11.5290 11.7485 11.7485 12.2804 12.2804 12.4864 12.4864 12.7229 12.7229 12.9908 12.9908 13.2122 13.2122 15.5496 15.5496 16.2325 16.2325 17.3201 17.3201 17.8435 17.8435 17.9040 17.9040 k = 0.5625 0.1083 0.3062 ( 2875 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6041 -12.6041 -12.5971 -12.5971 0.4458 0.4458 0.4527 0.4527 1.2596 1.2596 1.2945 1.2945 1.3081 1.3081 8.0299 8.0299 9.6151 9.6151 10.5020 10.5020 11.0591 11.0591 11.2681 11.2681 11.5322 11.5322 11.7508 11.7508 12.2824 12.2824 12.5098 12.5098 12.7363 12.7363 13.0025 13.0025 13.2300 13.2300 15.4704 15.4704 16.2096 16.2096 17.2455 17.2455 17.8460 17.8460 17.9043 17.9043 k = 0.5667 0.0962 0.3130 ( 2879 PWs) bands (ev): -34.1101 -34.1101 -13.1040 -13.1040 -12.6041 -12.6041 -12.5973 -12.5973 0.4456 0.4456 0.4524 0.4524 1.2594 1.2594 1.2944 1.2944 1.3077 1.3077 8.0492 8.0492 9.6368 9.6368 10.4709 10.4709 11.0605 11.0605 11.2648 11.2648 11.5358 11.5358 11.7549 11.7549 12.2844 12.2844 12.5334 12.5334 12.7498 12.7498 13.0146 13.0146 13.2475 13.2475 15.3924 15.3924 16.1850 16.1850 17.1681 17.1681 17.8465 17.8465 17.9087 17.9087 k = 0.5708 0.0842 0.3198 ( 2875 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6040 -12.6040 -12.5975 -12.5975 0.4455 0.4455 0.4522 0.4522 1.2593 1.2593 1.2944 1.2944 1.3075 1.3075 8.0693 8.0693 9.6573 9.6573 10.4387 10.4387 11.0633 11.0633 11.2621 11.2621 11.5400 11.5400 11.7609 11.7609 12.2866 12.2866 12.5572 12.5572 12.7638 12.7638 13.0267 13.0267 13.2642 13.2642 15.3162 15.3162 16.1589 16.1589 17.0891 17.0891 17.8455 17.8455 17.9169 17.9169 k = 0.5750 0.0722 0.3266 ( 2871 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6038 -12.6038 -12.5976 -12.5976 0.4455 0.4455 0.4520 0.4520 1.2591 1.2591 1.2944 1.2944 1.3073 1.3073 8.0901 8.0901 9.6760 9.6760 10.4063 10.4063 11.0666 11.0666 11.2599 11.2599 11.5450 11.5450 11.7688 11.7688 12.2890 12.2890 12.5807 12.5807 12.7787 12.7787 13.0384 13.0384 13.2797 13.2797 15.2423 15.2423 16.1314 16.1314 17.0096 17.0096 17.8441 17.8441 17.9277 17.9277 k = 0.5792 0.0601 0.3334 ( 2871 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6038 -12.6038 -12.5978 -12.5978 0.4453 0.4453 0.4518 0.4518 1.2590 1.2590 1.2943 1.2943 1.3072 1.3072 8.1114 8.1114 9.6922 9.6922 10.3745 10.3745 11.0702 11.0702 11.2584 11.2584 11.5510 11.5510 11.7784 11.7784 12.2915 12.2915 12.6036 12.6036 12.7952 12.7952 13.0494 13.0494 13.2935 13.2935 15.1711 15.1711 16.1024 16.1024 16.9307 16.9307 17.8429 17.8429 17.9403 17.9403 k = 0.5833 0.0481 0.3402 ( 2877 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6037 -12.6037 -12.5980 -12.5980 0.4451 0.4451 0.4515 0.4515 1.2587 1.2587 1.2941 1.2941 1.3070 1.3070 8.1331 8.1331 9.7052 9.7052 10.3443 10.3443 11.0736 11.0736 11.2574 11.2574 11.5582 11.5582 11.7897 11.7897 12.2941 12.2941 12.6258 12.6258 12.8135 12.8135 13.0595 13.0595 13.3052 13.3052 15.1033 15.1033 16.0720 16.0720 16.8533 16.8533 17.8427 17.8427 17.9540 17.9540 k = 0.5875 0.0361 0.3470 ( 2870 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6036 -12.6036 -12.5981 -12.5981 0.4450 0.4450 0.4514 0.4514 1.2586 1.2586 1.2940 1.2940 1.3070 1.3070 8.1549 8.1549 9.7142 9.7142 10.3169 10.3169 11.0766 11.0766 11.2569 11.2569 11.5668 11.5668 11.8025 11.8025 12.2971 12.2971 12.6468 12.6468 12.8343 12.8343 13.0684 13.0684 13.3143 13.3143 15.0395 15.0395 16.0403 16.0403 16.7786 16.7786 17.8436 17.8436 17.9683 17.9683 k = 0.5917 0.0241 0.3538 ( 2866 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6035 -12.6035 -12.5982 -12.5982 0.4448 0.4448 0.4513 0.4513 1.2584 1.2584 1.2939 1.2939 1.3070 1.3070 8.1767 8.1767 9.7182 9.7182 10.2932 10.2932 11.0790 11.0790 11.2569 11.2569 11.5770 11.5770 11.8166 11.8166 12.3003 12.3003 12.6665 12.6665 12.8576 12.8576 13.0761 13.0761 13.3204 13.3204 14.9806 14.9806 16.0074 16.0074 16.7071 16.7071 17.8460 17.8460 17.9826 17.9826 k = 0.5958 0.0120 0.3606 ( 2868 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6035 -12.6035 -12.5983 -12.5983 0.4446 0.4446 0.4511 0.4511 1.2582 1.2582 1.2937 1.2937 1.3070 1.3070 8.1981 8.1981 9.7166 9.7166 10.2742 10.2742 11.0808 11.0808 11.2571 11.2571 11.5888 11.5888 11.8315 11.8315 12.3038 12.3038 12.6850 12.6850 12.8837 12.8837 13.0822 13.0822 13.3230 13.3230 14.9271 14.9271 15.9732 15.9732 16.6395 16.6395 17.8500 17.8500 17.9965 17.9965 k = 0.6000 0.0000 0.3674 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5984 -12.5984 0.4444 0.4444 0.4509 0.4509 1.2579 1.2579 1.2934 1.2934 1.3070 1.3070 8.2188 8.2188 9.7090 9.7090 10.2604 10.2604 11.0819 11.0819 11.2576 11.2576 11.6021 11.6021 11.8470 11.8470 12.3077 12.3077 12.7023 12.7023 12.9124 12.9124 13.0869 13.0869 13.3220 13.3220 14.8799 14.8799 15.9379 15.9379 16.5764 16.5764 17.8555 17.8555 18.0092 18.0092 k = 0.6042-0.0120 0.3742 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5985 -12.5985 0.4441 0.4441 0.4509 0.4509 1.2577 1.2577 1.2932 1.2932 1.3071 1.3071 8.2384 8.2384 9.6955 9.6955 10.2523 10.2523 11.0825 11.0825 11.2584 11.2584 11.6167 11.6167 11.8627 11.8627 12.3120 12.3120 12.7186 12.7186 12.9434 12.9434 13.0902 13.0902 13.3174 13.3174 14.8394 14.8394 15.9015 15.9015 16.5180 16.5180 17.8623 17.8623 18.0198 18.0198 k = 0.6083-0.0241 0.3810 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4439 0.4439 0.4508 0.4508 1.2575 1.2575 1.2930 1.2930 1.3072 1.3072 8.2567 8.2567 9.6765 9.6765 10.2496 10.2496 11.0826 11.0826 11.2595 11.2595 11.6323 11.6323 11.8781 11.8781 12.3167 12.3167 12.7341 12.7341 12.9762 12.9762 13.0921 13.0921 13.3096 13.3096 14.8063 14.8063 15.8640 15.8640 16.4646 16.4646 17.8701 17.8701 18.0276 18.0276 k = 0.6125-0.0361 0.3878 ( 2869 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4436 0.4436 0.4508 0.4508 1.2572 1.2572 1.2928 1.2928 1.3074 1.3074 8.2731 8.2731 9.6528 9.6528 10.2520 10.2520 11.0823 11.0823 11.2609 11.2609 11.6486 11.6486 11.8926 11.8926 12.3218 12.3218 12.7488 12.7488 13.0102 13.0102 13.0930 13.0930 13.2995 13.2995 14.7807 14.7807 15.8256 15.8256 16.4162 16.4162 17.8775 17.8775 18.0313 18.0313 k = 0.6167-0.0481 0.3946 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4433 0.4433 0.4508 0.4508 1.2569 1.2569 1.2926 1.2926 1.3075 1.3075 8.2871 8.2871 9.6256 9.6256 10.2587 10.2587 11.0815 11.0815 11.2630 11.2630 11.6652 11.6652 11.9058 11.9058 12.3272 12.3272 12.7627 12.7627 13.0431 13.0431 13.0946 13.0946 13.2884 13.2884 14.7627 14.7627 15.7862 15.7862 16.3727 16.3727 17.8805 17.8805 18.0163 18.0163 k = 0.6208-0.0601 0.4014 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4431 0.4431 0.4508 0.4508 1.2567 1.2567 1.2924 1.2924 1.3077 1.3077 8.2982 8.2982 9.5960 9.5960 10.2692 10.2692 11.0803 11.0803 11.2658 11.2658 11.6817 11.6817 11.9172 11.9172 12.3328 12.3328 12.7757 12.7757 13.0667 13.0667 13.1043 13.1043 13.2785 13.2785 14.7521 14.7521 15.7461 15.7461 16.3340 16.3340 17.8682 17.8682 17.9809 17.9809 k = 0.6250-0.0722 0.4082 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4428 0.4428 0.4508 0.4508 1.2565 1.2565 1.2923 1.2923 1.3078 1.3078 8.3057 8.3057 9.5652 9.5652 10.2830 10.2830 11.0787 11.0787 11.2697 11.2697 11.6977 11.6977 11.9265 11.9265 12.3382 12.3382 12.7870 12.7870 13.0717 13.0717 13.1305 13.1305 13.2728 13.2728 14.7485 14.7485 15.7053 15.7053 16.2997 16.2997 17.8321 17.8321 17.9742 17.9742 k = 0.6250-0.0722 0.4082 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4428 0.4428 0.4508 0.4508 1.2565 1.2565 1.2923 1.2923 1.3078 1.3078 8.3057 8.3057 9.5652 9.5652 10.2830 10.2830 11.0787 11.0787 11.2697 11.2697 11.6977 11.6977 11.9265 11.9265 12.3382 12.3382 12.7870 12.7870 13.0717 13.0717 13.1305 13.1305 13.2728 13.2728 14.7485 14.7485 15.7053 15.7053 16.2997 16.2997 17.8321 17.8321 17.9742 17.9742 k = 0.6181-0.0682 0.4196 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4428 0.4428 0.4508 0.4508 1.2565 1.2565 1.2923 1.2923 1.3078 1.3078 8.3062 8.3062 9.5661 9.5661 10.2813 10.2813 11.0777 11.0777 11.2703 11.2703 11.6983 11.6983 11.9288 11.9288 12.3378 12.3378 12.7840 12.7840 13.0663 13.0663 13.1374 13.1374 13.2743 13.2743 14.7484 14.7484 15.6907 15.6907 16.3128 16.3128 17.8304 17.8304 17.9607 17.9607 k = 0.6111-0.0642 0.4309 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4429 0.4429 0.4508 0.4508 1.2565 1.2565 1.2924 1.2924 1.3078 1.3078 8.3076 8.3076 9.5689 9.5689 10.2764 10.2764 11.0749 11.0749 11.2723 11.2723 11.6999 11.6999 11.9358 11.9358 12.3365 12.3365 12.7754 12.7754 13.0550 13.0550 13.1526 13.1526 13.2791 13.2791 14.7481 14.7481 15.6505 15.6505 16.3488 16.3488 17.8254 17.8254 17.9340 17.9340 k = 0.6042-0.0601 0.4423 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4429 0.4429 0.4507 0.4507 1.2565 1.2565 1.2924 1.2924 1.3076 1.3076 8.3098 8.3098 9.5736 9.5736 10.2683 10.2683 11.0704 11.0704 11.2756 11.2756 11.7017 11.7017 11.9478 11.9478 12.3344 12.3344 12.7621 12.7621 13.0430 13.0430 13.1689 13.1689 13.2881 13.2881 14.7476 14.7476 15.5922 15.5922 16.4003 16.4003 17.8174 17.8174 17.9031 17.9031 k = 0.5972-0.0561 0.4536 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5987 -12.5987 0.4430 0.4430 0.4507 0.4507 1.2565 1.2565 1.2926 1.2926 1.3075 1.3075 8.3130 8.3130 9.5802 9.5802 10.2572 10.2572 11.0648 11.0648 11.2804 11.2804 11.7028 11.7028 11.9652 11.9652 12.3316 12.3316 12.7454 12.7454 13.0318 13.0318 13.1827 13.1827 13.3021 13.3021 14.7469 14.7469 15.5228 15.5228 16.4609 16.4609 17.8066 17.8066 17.8699 17.8699 k = 0.5903-0.0521 0.4649 ( 2862 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6033 -12.6033 -12.5987 -12.5987 0.4432 0.4432 0.4506 0.4506 1.2566 1.2566 1.2928 1.2928 1.3074 1.3074 8.3169 8.3169 9.5886 9.5886 10.2431 10.2431 11.0583 11.0583 11.2866 11.2866 11.7022 11.7022 11.9879 11.9879 12.3279 12.3279 12.7267 12.7267 13.0214 13.0214 13.1926 13.1926 13.3211 13.3211 14.7459 14.7459 15.4473 15.4473 16.5261 16.5261 17.7928 17.7928 17.8361 17.8361 k = 0.5833-0.0481 0.4763 ( 2861 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6032 -12.6032 -12.5988 -12.5988 0.4433 0.4433 0.4506 0.4506 1.2566 1.2566 1.2931 1.2931 1.3072 1.3072 8.3216 8.3216 9.5989 9.5989 10.2263 10.2263 11.0514 11.0514 11.2943 11.2943 11.6993 11.6993 12.0156 12.0156 12.3236 12.3236 12.7073 12.7073 13.0115 13.0115 13.1987 13.1987 13.3435 13.3435 14.7447 14.7447 15.3691 15.3691 16.5932 16.5932 17.7732 17.7732 17.8055 17.8055 k = 0.5764-0.0441 0.4876 ( 2867 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6032 -12.6032 -12.5988 -12.5988 0.4434 0.4434 0.4504 0.4504 1.2566 1.2566 1.2932 1.2932 1.3069 1.3069 8.3268 8.3268 9.6110 9.6110 10.2069 10.2069 11.0445 11.0445 11.3035 11.3035 11.6937 11.6937 12.0478 12.0478 12.3188 12.3188 12.6882 12.6882 13.0016 13.0016 13.2023 13.2023 13.3675 13.3675 14.7430 14.7430 15.2909 15.2909 16.6606 16.6606 17.7428 17.7428 17.7841 17.7841 k = 0.5694-0.0401 0.4990 ( 2861 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6031 -12.6031 -12.5989 -12.5989 0.4436 0.4436 0.4503 0.4503 1.2567 1.2567 1.2935 1.2935 1.3067 1.3067 8.3327 8.3327 9.6249 9.6249 10.1853 10.1853 11.0378 11.0378 11.3142 11.3142 11.6854 11.6854 12.0834 12.0834 12.3138 12.3138 12.6703 12.6703 12.9914 12.9914 13.2041 13.2041 13.3913 13.3913 14.7408 14.7408 15.2148 15.2148 16.7272 16.7272 17.7049 17.7049 17.7694 17.7694 k = 0.5625-0.0361 0.5103 ( 2855 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6031 -12.6031 -12.5990 -12.5990 0.4438 0.4438 0.4502 0.4502 1.2567 1.2567 1.2938 1.2938 1.3066 1.3066 8.3389 8.3389 9.6405 9.6405 10.1618 10.1618 11.0315 11.0315 11.3264 11.3264 11.6746 11.6746 12.1212 12.1212 12.3090 12.3090 12.6543 12.6543 12.9805 12.9805 13.2050 13.2050 13.4136 13.4136 14.7380 14.7380 15.1425 15.1425 16.7923 16.7923 17.6639 17.6639 17.7579 17.7579 k = 0.5556-0.0321 0.5217 ( 2860 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6030 -12.6030 -12.5991 -12.5991 0.4439 0.4439 0.4500 0.4500 1.2567 1.2567 1.2941 1.2941 1.3062 1.3062 8.3454 8.3454 9.6579 9.6579 10.1366 10.1366 11.0257 11.0257 11.3400 11.3400 11.6613 11.6613 12.1594 12.1594 12.3052 12.3052 12.6404 12.6404 12.9688 12.9688 13.2053 13.2053 13.4332 13.4332 14.7343 14.7343 15.0759 15.0759 16.8554 16.8554 17.6214 17.6214 17.7487 17.7487 k = 0.5486-0.0281 0.5330 ( 2863 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6030 -12.6030 -12.5992 -12.5992 0.4441 0.4441 0.4498 0.4498 1.2567 1.2567 1.2943 1.2943 1.3059 1.3059 8.3519 8.3519 9.6768 9.6768 10.1100 10.1100 11.0205 11.0205 11.3550 11.3550 11.6458 11.6458 12.1954 12.1954 12.3042 12.3042 12.6291 12.6291 12.9562 12.9562 13.2054 13.2054 13.4494 13.4494 14.7296 14.7296 15.0165 15.0165 16.9164 16.9164 17.5779 17.5779 17.7417 17.7417 k = 0.5417-0.0241 0.5443 ( 2865 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6029 -12.6029 -12.5993 -12.5993 0.4442 0.4442 0.4496 0.4496 1.2567 1.2567 1.2946 1.2946 1.3056 1.3056 8.3584 8.3584 9.6972 9.6972 10.0824 10.0824 11.0160 11.0160 11.3712 11.3712 11.6285 11.6285 12.2246 12.2246 12.3094 12.3094 12.6204 12.6204 12.9430 12.9430 13.2053 13.2053 13.4615 13.4615 14.7236 14.7236 14.9657 14.9657 16.9749 16.9749 17.5340 17.5340 17.7370 17.7370 k = 0.5347-0.0200 0.5557 ( 2861 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6028 -12.6028 -12.5993 -12.5993 0.4445 0.4445 0.4495 0.4495 1.2568 1.2568 1.2949 1.2949 1.3054 1.3054 8.3646 8.3646 9.7189 9.7189 10.0543 10.0543 11.0121 11.0121 11.3885 11.3885 11.6098 11.6098 12.2418 12.2418 12.3250 12.3250 12.6145 12.6145 12.9294 12.9294 13.2053 13.2053 13.4694 13.4694 14.7163 14.7163 14.9245 14.9245 17.0308 17.0308 17.4898 17.4898 17.7345 17.7345 k = 0.5278-0.0160 0.5670 ( 2860 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6028 -12.6028 -12.5994 -12.5994 0.4446 0.4446 0.4493 0.4493 1.2568 1.2568 1.2951 1.2951 1.3052 1.3052 8.3702 8.3702 9.7414 9.7414 10.0261 10.0261 11.0090 11.0090 11.4067 11.4067 11.5900 11.5900 12.2481 12.2481 12.3482 12.3482 12.6113 12.6113 12.9162 12.9162 13.2053 13.2053 13.4732 13.4732 14.7083 14.7083 14.8932 14.8932 17.0840 17.0840 17.4455 17.4455 17.7340 17.7340 k = 0.5208-0.0120 0.5784 ( 2856 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5994 -12.5994 0.4448 0.4448 0.4492 0.4492 1.2568 1.2568 1.2953 1.2953 1.3051 1.3051 8.3751 8.3751 9.7642 9.7642 9.9988 9.9988 11.0065 11.0065 11.4253 11.4253 11.5698 11.5698 12.2493 12.2493 12.3717 12.3717 12.6105 12.6105 12.9041 12.9041 13.2055 13.2055 13.4736 13.4736 14.7004 14.7004 14.8711 14.8711 17.1346 17.1346 17.4015 17.4015 17.7350 17.7350 k = 0.5139-0.0080 0.5897 ( 2860 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5995 -12.5995 0.4449 0.4449 0.4491 0.4491 1.2568 1.2568 1.2954 1.2954 1.3049 1.3049 8.3789 8.3789 9.7856 9.7856 9.9739 9.9739 11.0047 11.0047 11.4436 11.4436 11.5503 11.5503 12.2490 12.2490 12.3906 12.3906 12.6115 12.6115 12.8944 12.8944 13.2058 13.2058 13.4717 13.4717 14.6938 14.6938 14.8569 14.8569 17.1826 17.1826 17.3578 17.3578 17.7370 17.7370 k = 0.5069-0.0040 0.6010 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5995 -12.5995 0.4449 0.4449 0.4489 0.4489 1.2568 1.2568 1.2954 1.2954 1.3048 1.3048 8.3814 8.3814 9.8027 9.8027 9.9547 9.9547 11.0036 11.0036 11.4592 11.4592 11.5337 11.5337 12.2485 12.2485 12.4024 12.4024 12.6129 12.6129 12.8882 12.8882 13.2060 13.2060 13.4692 13.4692 14.6896 14.6896 14.8491 14.8491 17.2281 17.2281 17.3146 17.3146 17.7389 17.7389 k = 0.5000 0.0000 0.6124 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5996 -12.5996 0.4448 0.4448 0.4489 0.4489 1.2567 1.2567 1.2954 1.2954 1.3046 1.3046 8.3823 8.3823 9.8097 9.8097 9.9469 9.9469 11.0032 11.0032 11.4663 11.4663 11.5263 11.5263 12.2484 12.2484 12.4063 12.4063 12.6136 12.6136 12.8861 12.8861 13.2062 13.2062 13.4678 13.4678 14.6883 14.6883 14.8467 14.8467 17.2675 17.2675 17.2759 17.2759 17.7397 17.7397 k = 0.5000 0.0000 0.6124 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5996 -12.5996 0.4448 0.4448 0.4489 0.4489 1.2567 1.2567 1.2954 1.2954 1.3046 1.3046 8.3823 8.3823 9.8097 9.8097 9.9469 9.9469 11.0032 11.0032 11.4663 11.4663 11.5263 11.5263 12.2484 12.2484 12.4063 12.4063 12.6136 12.6136 12.8861 12.8861 13.2062 13.2062 13.4678 13.4678 14.6883 14.6883 14.8467 14.8467 17.2675 17.2675 17.2759 17.2759 17.7397 17.7397 k = 0.5000 0.0082 0.6007 ( 2868 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5996 -12.5996 0.4449 0.4449 0.4490 0.4490 1.2568 1.2568 1.2955 1.2955 1.3047 1.3047 8.3807 8.3807 9.8108 9.8108 9.9478 9.9478 11.0033 11.0033 11.4661 11.4661 11.5264 11.5264 12.2467 12.2467 12.3996 12.3996 12.6119 12.6119 12.8924 12.8924 13.2053 13.2053 13.4661 13.4661 14.6911 14.6911 14.8519 14.8519 17.2678 17.2678 17.2769 17.2769 17.7417 17.7417 k = 0.5000 0.0165 0.5890 ( 2860 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5995 -12.5995 0.4450 0.4450 0.4491 0.4491 1.2569 1.2569 1.2955 1.2955 1.3048 1.3048 8.3757 8.3757 9.8138 9.8138 9.9507 9.9507 11.0035 11.0035 11.4655 11.4655 11.5269 11.5269 12.2411 12.2411 12.3812 12.3812 12.6079 12.6079 12.9091 12.9091 13.2026 13.2026 13.4612 13.4612 14.6998 14.6998 14.8673 14.8673 17.2680 17.2680 17.2808 17.2808 17.7476 17.7476 k = 0.5000 0.0247 0.5774 ( 2858 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5994 -12.5994 0.4450 0.4450 0.4491 0.4491 1.2570 1.2570 1.2955 1.2955 1.3048 1.3048 8.3676 8.3676 9.8180 9.8180 9.9562 9.9562 11.0039 11.0039 11.4645 11.4645 11.5276 11.5276 12.2294 12.2294 12.3560 12.3560 12.6033 12.6033 12.9316 12.9316 13.1983 13.1983 13.4534 13.4534 14.7142 14.7142 14.8925 14.8925 17.2672 17.2672 17.2886 17.2886 17.7571 17.7571 k = 0.5000 0.0330 0.5657 ( 2864 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6027 -12.6027 -12.5994 -12.5994 0.4450 0.4450 0.4492 0.4492 1.2570 1.2570 1.2954 1.2954 1.3048 1.3048 8.3566 8.3566 9.8222 9.8222 9.9650 9.9650 11.0044 11.0044 11.4630 11.4630 11.5285 11.5285 12.2080 12.2080 12.3313 12.3313 12.5995 12.5995 12.9551 12.9551 13.1923 13.1923 13.4433 13.4433 14.7345 14.7345 14.9271 14.9271 17.2658 17.2658 17.2997 17.2997 17.7698 17.7698 k = 0.5000 0.0412 0.5541 ( 2864 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6028 -12.6028 -12.5993 -12.5993 0.4450 0.4450 0.4493 0.4493 1.2571 1.2571 1.2954 1.2954 1.3049 1.3049 8.3429 8.3429 9.8252 9.8252 9.9782 9.9782 11.0051 11.0051 11.4609 11.4609 11.5295 11.5295 12.1744 12.1744 12.3128 12.3128 12.5964 12.5964 12.9759 12.9759 13.1850 13.1850 13.4316 13.4316 14.7605 14.7605 14.9704 14.9704 17.2643 17.2643 17.3139 17.3139 17.7853 17.7853 k = 0.5000 0.0495 0.5424 ( 2862 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6028 -12.6028 -12.5993 -12.5993 0.4451 0.4451 0.4495 0.4495 1.2573 1.2573 1.2954 1.2954 1.3049 1.3049 8.3269 8.3269 9.8260 9.8260 9.9963 9.9963 11.0060 11.0060 11.4581 11.4581 11.5307 11.5307 12.1312 12.1312 12.3011 12.3011 12.5940 12.5940 12.9915 12.9915 13.1768 13.1768 13.4189 13.4189 14.7915 14.7915 15.0220 15.0220 17.2631 17.2631 17.3308 17.3308 17.8029 17.8029 k = 0.5000 0.0577 0.5307 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6029 -12.6029 -12.5992 -12.5992 0.4450 0.4450 0.4495 0.4495 1.2573 1.2573 1.2953 1.2953 1.3049 1.3049 8.3089 8.3089 9.8240 9.8240 10.0193 10.0193 11.0072 11.0072 11.4544 11.4544 11.5318 11.5318 12.0830 12.0830 12.2938 12.2938 12.5919 12.5919 12.9998 12.9998 13.1683 13.1683 13.4058 13.4058 14.8272 14.8272 15.0814 15.0814 17.2627 17.2627 17.3498 17.3498 17.8218 17.8218 k = 0.5000 0.0660 0.5191 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6030 -12.6030 -12.5991 -12.5991 0.4450 0.4450 0.4497 0.4497 1.2575 1.2575 1.2953 1.2953 1.3050 1.3050 8.2893 8.2893 9.8191 9.8191 10.0468 10.0468 11.0085 11.0085 11.4496 11.4496 11.5329 11.5329 12.0335 12.0335 12.2888 12.2888 12.5900 12.5900 13.0002 13.0002 13.1600 13.1600 13.3928 13.3928 14.8668 14.8668 15.1478 15.1478 17.2634 17.2634 17.3706 17.3706 17.8414 17.8414 k = 0.5000 0.0742 0.5074 ( 2868 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6031 -12.6031 -12.5989 -12.5989 0.4451 0.4451 0.4500 0.4500 1.2577 1.2577 1.2953 1.2953 1.3051 1.3051 8.2684 8.2684 9.8117 9.8117 10.0782 10.0782 11.0101 11.0101 11.4434 11.4434 11.5338 11.5338 11.9853 11.9853 12.2852 12.2852 12.5880 12.5880 12.9925 12.9925 13.1520 13.1520 13.3801 13.3801 14.9097 14.9097 15.2205 15.2205 17.2655 17.2655 17.3928 17.3928 17.8608 17.8608 k = 0.5000 0.0825 0.4957 ( 2876 PWs) bands (ev): -34.1100 -34.1100 -13.1040 -13.1040 -12.6032 -12.6032 -12.5988 -12.5988 0.4451 0.4451 0.4501 0.4501 1.2578 1.2578 1.2952 1.2952 1.3052 1.3052 8.2465 8.2465 9.8018 9.8018 10.1127 10.1127 11.0120 11.0120 11.4357 11.4357 11.5344 11.5344 11.9401 11.9401 12.2823 12.2823 12.5858 12.5858 12.9779 12.9779 13.1439 13.1439 13.3677 13.3677 14.9554 14.9554 15.2984 15.2984 17.2695 17.2695 17.4158 17.4158 17.8792 17.8792 k = 0.5000 0.0907 0.4841 ( 2878 PWs) bands (ev): -34.1100 -34.1100 -13.1040 -13.1040 -12.6032 -12.6032 -12.5987 -12.5987 0.4451 0.4451 0.4503 0.4503 1.2580 1.2580 1.2951 1.2951 1.3053 1.3053 8.2239 8.2239 9.7897 9.7897 10.1496 10.1496 11.0140 11.0140 11.4261 11.4261 11.5348 11.5348 11.8991 11.8991 12.2800 12.2800 12.5831 12.5831 12.9582 12.9582 13.1352 13.1352 13.3553 13.3553 15.0037 15.0037 15.3805 15.3805 17.2757 17.2757 17.4393 17.4393 17.8960 17.8960 k = 0.5000 0.0990 0.4724 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6033 -12.6033 -12.5985 -12.5985 0.4453 0.4453 0.4505 0.4505 1.2582 1.2582 1.2951 1.2951 1.3056 1.3056 8.2010 8.2010 9.7757 9.7757 10.1883 10.1883 11.0164 11.0164 11.4145 11.4145 11.5349 11.5349 11.8632 11.8632 12.2780 12.2780 12.5798 12.5798 12.9348 12.9348 13.1253 13.1253 13.3429 13.3429 15.0543 15.0543 15.4655 15.4655 17.2845 17.2845 17.4628 17.4628 17.9107 17.9107 k = 0.5000 0.1072 0.4607 ( 2872 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6034 -12.6034 -12.5984 -12.5984 0.4454 0.4454 0.4508 0.4508 1.2584 1.2584 1.2951 1.2951 1.3059 1.3059 8.1779 8.1779 9.7599 9.7599 10.2283 10.2283 11.0189 11.0189 11.4012 11.4012 11.5347 11.5347 11.8328 11.8328 12.2763 12.2763 12.5755 12.5755 12.9093 12.9093 13.1140 13.1140 13.3300 13.3300 15.1069 15.1069 15.5518 15.5518 17.2963 17.2963 17.4859 17.4859 17.9232 17.9232 k = 0.5000 0.1155 0.4491 ( 2870 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6035 -12.6035 -12.5982 -12.5982 0.4455 0.4455 0.4511 0.4511 1.2586 1.2586 1.2951 1.2951 1.3061 1.3061 8.1549 8.1549 9.7424 9.7424 10.2689 10.2689 11.0216 11.0216 11.3864 11.3864 11.5343 11.5343 11.8080 11.8080 12.2748 12.2748 12.5701 12.5701 12.8829 12.8829 13.1013 13.1013 13.3167 13.3167 15.1618 15.1618 15.6382 15.6382 17.3113 17.3113 17.5084 17.5084 17.9334 17.9334 k = 0.5000 0.1237 0.4374 ( 2868 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6036 -12.6036 -12.5980 -12.5980 0.4456 0.4456 0.4514 0.4514 1.2588 1.2588 1.2950 1.2950 1.3064 1.3064 8.1322 8.1322 9.7234 9.7234 10.3098 10.3098 11.0244 11.0244 11.3707 11.3707 11.5336 11.5336 11.7883 11.7883 12.2735 12.2735 12.5631 12.5631 12.8566 12.8566 13.0874 13.0874 13.3027 13.3027 15.2187 15.2187 15.7231 15.7231 17.3299 17.3299 17.5301 17.5301 17.9415 17.9415 k = 0.5000 0.1320 0.4257 ( 2862 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6037 -12.6037 -12.5978 -12.5978 0.4457 0.4457 0.4517 0.4517 1.2591 1.2591 1.2951 1.2951 1.3067 1.3067 8.1099 8.1099 9.7032 9.7032 10.3503 10.3503 11.0273 11.0273 11.3550 11.3550 11.5327 11.5327 11.7733 11.7733 12.2723 12.2723 12.5545 12.5545 12.8312 12.8312 13.0726 13.0726 13.2880 13.2880 15.2777 15.2777 15.8052 15.8052 17.3524 17.3524 17.5509 17.5509 17.9478 17.9478 k = 0.5000 0.1402 0.4141 ( 2854 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6038 -12.6038 -12.5976 -12.5976 0.4458 0.4458 0.4521 0.4521 1.2593 1.2593 1.2951 1.2951 1.3071 1.3071 8.0882 8.0882 9.6819 9.6819 10.3900 10.3900 11.0303 11.0303 11.3400 11.3400 11.5315 11.5315 11.7623 11.7623 12.2714 12.2714 12.5438 12.5438 12.8072 12.8072 13.0572 13.0572 13.2726 13.2726 15.3388 15.3388 15.8831 15.8831 17.3787 17.3787 17.5707 17.5707 17.9525 17.9525 k = 0.5000 0.1485 0.4024 ( 2854 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6039 -12.6039 -12.5974 -12.5974 0.4459 0.4459 0.4524 0.4524 1.2595 1.2595 1.2950 1.2950 1.3074 1.3074 8.0671 8.0671 9.6597 9.6597 10.4283 10.4283 11.0335 11.0335 11.3265 11.3265 11.5302 11.5302 11.7546 11.7546 12.2706 12.2706 12.5309 12.5309 12.7850 12.7850 13.0416 13.0416 13.2566 13.2566 15.4021 15.4021 15.9557 15.9557 17.4089 17.4089 17.5896 17.5896 17.9560 17.9560 k = 0.5000 0.1567 0.3908 ( 2864 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6040 -12.6040 -12.5973 -12.5973 0.4459 0.4459 0.4526 0.4526 1.2595 1.2595 1.2949 1.2949 1.3077 1.3077 8.0469 8.0469 9.6370 9.6370 10.4647 10.4647 11.0370 11.0370 11.3151 11.3151 11.5288 11.5288 11.7497 11.7497 12.2699 12.2699 12.5159 12.5159 12.7645 12.7645 13.0260 13.0260 13.2401 13.2401 15.4675 15.4675 16.0223 16.0223 17.4426 17.4426 17.6075 17.6075 17.9585 17.9585 k = 0.5000 0.1650 0.3791 ( 2864 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6041 -12.6041 -12.5971 -12.5971 0.4460 0.4460 0.4528 0.4528 1.2596 1.2596 1.2948 1.2948 1.3081 1.3081 8.0277 8.0277 9.6140 9.6140 10.4988 10.4988 11.0412 11.0412 11.3060 11.3060 11.5271 11.5271 11.7469 11.7469 12.2694 12.2694 12.4990 12.4990 12.7458 12.7458 13.0110 13.0110 13.2233 13.2233 15.5348 15.5348 16.0824 16.0824 17.4794 17.4794 17.6248 17.6248 17.9603 17.9603 k = 0.5000 0.1732 0.3674 ( 2876 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6043 -12.6043 -12.5970 -12.5970 0.4459 0.4459 0.4530 0.4530 1.2597 1.2597 1.2946 1.2946 1.3083 1.3083 8.0094 8.0094 9.5909 9.5909 10.5300 10.5300 11.0463 11.0463 11.2993 11.2993 11.5253 11.5253 11.7460 11.7460 12.2690 12.2690 12.4805 12.4805 12.7285 12.7285 12.9968 12.9968 13.2063 13.2063 15.6039 15.6039 16.1355 16.1355 17.5183 17.5183 17.6415 17.6415 17.9615 17.9615 k = 0.5000 0.1815 0.3558 ( 2876 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6044 -12.6044 -12.5968 -12.5968 0.4460 0.4460 0.4532 0.4532 1.2598 1.2598 1.2945 1.2945 1.3087 1.3087 7.9921 7.9921 9.5680 9.5680 10.5578 10.5578 11.0528 11.0528 11.2950 11.2950 11.5233 11.5233 11.7467 11.7467 12.2687 12.2687 12.4608 12.4608 12.7121 12.7121 12.9838 12.9838 13.1894 13.1894 15.6747 15.6747 16.1818 16.1818 17.5584 17.5584 17.6581 17.6581 17.9623 17.9623 k = 0.5000 0.1897 0.3441 ( 2872 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6044 -12.6044 -12.5966 -12.5966 0.4461 0.4461 0.4535 0.4535 1.2599 1.2599 1.2945 1.2945 1.3091 1.3091 7.9760 7.9760 9.5456 9.5456 10.5820 10.5820 11.0610 11.0610 11.2928 11.2928 11.5212 11.5212 11.7488 11.7488 12.2686 12.2686 12.4403 12.4403 12.6963 12.6963 12.9721 12.9721 13.1727 13.1727 15.7467 15.7467 16.2216 16.2216 17.5985 17.5985 17.6749 17.6749 17.9630 17.9630 k = 0.5000 0.1979 0.3324 ( 2868 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6045 -12.6045 -12.5965 -12.5965 0.4462 0.4462 0.4538 0.4538 1.2600 1.2600 1.2945 1.2945 1.3096 1.3096 7.9611 7.9611 9.5240 9.5240 10.6024 10.6024 11.0713 11.0713 11.2922 11.2922 11.5188 11.5188 11.7521 11.7521 12.2685 12.2685 12.4195 12.4195 12.6809 12.6809 12.9620 12.9620 13.1564 13.1564 15.8195 15.8195 16.2555 16.2555 17.6370 17.6370 17.6927 17.6927 17.9636 17.9636 k = 0.5000 0.2062 0.3208 ( 2870 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6046 -12.6046 -12.5963 -12.5963 0.4463 0.4463 0.4540 0.4540 1.2601 1.2601 1.2944 1.2944 1.3099 1.3099 7.9473 7.9473 9.5033 9.5033 10.6190 10.6190 11.0835 11.0835 11.2928 11.2928 11.5162 11.5162 11.7566 11.7566 12.2685 12.2685 12.3987 12.3987 12.6656 12.6656 12.9535 12.9535 13.1409 13.1409 15.8924 15.8924 16.2839 16.2839 17.6720 17.6720 17.7128 17.7128 17.9644 17.9644 k = 0.5000 0.2144 0.3091 ( 2868 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6047 -12.6047 -12.5962 -12.5962 0.4464 0.4464 0.4542 0.4542 1.2602 1.2602 1.2943 1.2943 1.3103 1.3103 7.9348 7.9348 9.4839 9.4839 10.6321 10.6321 11.0974 11.0974 11.2943 11.2943 11.5133 11.5133 11.7621 11.7621 12.2686 12.2686 12.3783 12.3783 12.6506 12.6506 12.9465 12.9465 13.1262 13.1262 15.9649 15.9649 16.3077 16.3077 17.7015 17.7015 17.7369 17.7369 17.9654 17.9654 k = 0.5000 0.2227 0.2974 ( 2868 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6047 -12.6047 -12.5961 -12.5961 0.4464 0.4464 0.4544 0.4544 1.2602 1.2602 1.2943 1.2943 1.3106 1.3106 7.9235 7.9235 9.4659 9.4659 10.6419 10.6419 11.1127 11.1127 11.2963 11.2963 11.5102 11.5102 11.7684 11.7684 12.2688 12.2688 12.3585 12.3585 12.6359 12.6359 12.9409 12.9409 13.1126 13.1126 16.0357 16.0357 16.3274 16.3274 17.7261 17.7261 17.7639 17.7639 17.9667 17.9667 k = 0.5000 0.2309 0.2858 ( 2876 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6048 -12.6048 -12.5960 -12.5960 0.4464 0.4464 0.4545 0.4545 1.2602 1.2602 1.2942 1.2942 1.3109 1.3109 7.9135 7.9135 9.4495 9.4495 10.6492 10.6492 11.1288 11.1288 11.2985 11.2985 11.5067 11.5067 11.7755 11.7755 12.2690 12.2690 12.3397 12.3397 12.6218 12.6218 12.9365 12.9365 13.1002 13.1002 16.1038 16.1038 16.3439 16.3439 17.7492 17.7492 17.7905 17.7905 17.9686 17.9686 k = 0.5000 0.2392 0.2741 ( 2872 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6049 -12.6049 -12.5959 -12.5959 0.4465 0.4465 0.4547 0.4547 1.2603 1.2603 1.2942 1.2942 1.3112 1.3112 7.9048 7.9048 9.4350 9.4350 10.6542 10.6542 11.1448 11.1448 11.3007 11.3007 11.5031 11.5031 11.7830 11.7830 12.2691 12.2691 12.3224 12.3224 12.6086 12.6086 12.9331 12.9331 13.0893 13.0893 16.1676 16.1676 16.3577 16.3577 17.7734 17.7734 17.8143 17.8143 17.9710 17.9710 k = 0.5000 0.2474 0.2624 ( 2876 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6049 -12.6049 -12.5958 -12.5958 0.4465 0.4465 0.4548 0.4548 1.2602 1.2602 1.2941 1.2941 1.3114 1.3114 7.8975 7.8975 9.4225 9.4225 10.6577 10.6577 11.1601 11.1601 11.3029 11.3029 11.4993 11.4993 11.7905 11.7905 12.2690 12.2690 12.3068 12.3068 12.5967 12.5967 12.9306 12.9306 13.0798 13.0798 16.2251 16.2251 16.3698 16.3698 17.8002 17.8002 17.8346 17.8346 17.9740 17.9740 k = 0.5000 0.2557 0.2508 ( 2874 PWs) bands (ev): -34.1103 -34.1103 -13.1039 -13.1039 -12.6050 -12.6050 -12.5957 -12.5957 0.4465 0.4465 0.4549 0.4549 1.2603 1.2603 1.2941 1.2941 1.3116 1.3116 7.8914 7.8914 9.4120 9.4120 10.6599 10.6599 11.1740 11.1740 11.3048 11.3048 11.4955 11.4955 11.7977 11.7977 12.2685 12.2685 12.2938 12.2938 12.5863 12.5863 12.9288 12.9288 13.0720 13.0720 16.2738 16.2738 16.3812 16.3812 17.8301 17.8301 17.8515 17.8515 17.9774 17.9774 k = 0.5000 0.2639 0.2391 ( 2874 PWs) bands (ev): -34.1103 -34.1103 -13.1039 -13.1039 -12.6050 -12.6050 -12.5957 -12.5957 0.4466 0.4466 0.4550 0.4550 1.2603 1.2603 1.2941 1.2941 1.3118 1.3118 7.8867 7.8867 9.4038 9.4038 10.6613 10.6613 11.1856 11.1856 11.3064 11.3064 11.4921 11.4921 11.8041 11.8041 12.2669 12.2669 12.2842 12.2842 12.5779 12.5779 12.9274 12.9274 13.0659 13.0659 16.3108 16.3108 16.3934 16.3934 17.8564 17.8564 17.8726 17.8726 17.9809 17.9809 k = 0.5000 0.2722 0.2275 ( 2878 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6050 -12.6050 -12.5956 -12.5956 0.4465 0.4465 0.4550 0.4550 1.2603 1.2603 1.2941 1.2941 1.3118 1.3118 7.8834 7.8834 9.3978 9.3978 10.6621 10.6621 11.1944 11.1944 11.3077 11.3077 11.4893 11.4893 11.8091 11.8091 12.2638 12.2638 12.2791 12.2791 12.5717 12.5717 12.9266 12.9266 13.0615 13.0615 16.3344 16.3344 16.4064 16.4064 17.8672 17.8672 17.9100 17.9100 17.9843 17.9843 k = 0.5000 0.2804 0.2158 ( 2884 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6051 -12.6051 -12.5956 -12.5956 0.4465 0.4465 0.4550 0.4550 1.2602 1.2602 1.2940 1.2940 1.3118 1.3118 7.8813 7.8813 9.3943 9.3943 10.6625 10.6625 11.1999 11.1999 11.3085 11.3085 11.4875 11.4875 11.8123 11.8123 12.2606 12.2606 12.2771 12.2771 12.5679 12.5679 12.9261 12.9261 13.0588 13.0588 16.3463 16.3463 16.4171 16.4171 17.8723 17.8723 17.9504 17.9504 17.9884 17.9884 k = 0.5000 0.2887 0.2041 ( 2884 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6051 -12.6051 -12.5956 -12.5956 0.4465 0.4465 0.4550 0.4550 1.2602 1.2602 1.2940 1.2940 1.3119 1.3119 7.8807 7.8807 9.3931 9.3931 10.6626 10.6626 11.2018 11.2018 11.3088 11.3088 11.4869 11.4869 11.8134 11.8134 12.2593 12.2593 12.2767 12.2767 12.5666 12.5666 12.9259 12.9259 13.0580 13.0580 16.3497 16.3497 16.4213 16.4213 17.8739 17.8739 17.9701 17.9701 17.9949 17.9949 k = 0.5000 0.2887 0.2041 ( 2884 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6051 -12.6051 -12.5956 -12.5956 0.4465 0.4465 0.4550 0.4550 1.2602 1.2602 1.2940 1.2940 1.3119 1.3119 7.8807 7.8807 9.3931 9.3931 10.6626 10.6626 11.2018 11.2018 11.3088 11.3088 11.4869 11.4869 11.8134 11.8134 12.2593 12.2593 12.2767 12.2767 12.5666 12.5666 12.9259 12.9259 13.0580 13.0580 16.3497 16.3497 16.4213 16.4213 17.8739 17.8739 17.9701 17.9701 17.9949 17.9949 k = 0.4958 0.2863 0.2177 ( 2884 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6051 -12.6051 -12.5956 -12.5956 0.4465 0.4465 0.4550 0.4550 1.2602 1.2602 1.2940 1.2940 1.3118 1.3118 7.8813 7.8813 9.3943 9.3943 10.6625 10.6625 11.1999 11.1999 11.3085 11.3085 11.4875 11.4875 11.8123 11.8123 12.2606 12.2606 12.2771 12.2771 12.5679 12.5679 12.9261 12.9261 13.0589 13.0589 16.3462 16.3462 16.4170 16.4170 17.8722 17.8722 17.9501 17.9501 17.9883 17.9883 k = 0.4917 0.2839 0.2313 ( 2883 PWs) bands (ev): -34.1103 -34.1103 -13.1040 -13.1040 -12.6051 -12.6051 -12.5956 -12.5956 0.4465 0.4465 0.4550 0.4550 1.2602 1.2602 1.2940 1.2940 1.3118 1.3118 7.8834 7.8834 9.3979 9.3979 10.6621 10.6621 11.1943 11.1943 11.3076 11.3076 11.4894 11.4894 11.8090 11.8090 12.2639 12.2639 12.2791 12.2791 12.5718 12.5718 12.9266 12.9266 13.0616 13.0616 16.3340 16.3340 16.4061 16.4061 17.8669 17.8669 17.9095 17.9095 17.9841 17.9841 k = 0.4875 0.2815 0.2449 ( 2871 PWs) bands (ev): -34.1103 -34.1103 -13.1039 -13.1039 -12.6050 -12.6050 -12.5957 -12.5957 0.4466 0.4466 0.4550 0.4550 1.2603 1.2603 1.2941 1.2941 1.3118 1.3118 7.8868 7.8868 9.4040 9.4040 10.6613 10.6613 11.1853 11.1853 11.3064 11.3064 11.4922 11.4922 11.8039 11.8039 12.2671 12.2671 12.2844 12.2844 12.5782 12.5782 12.9275 12.9275 13.0661 13.0661 16.3097 16.3097 16.3931 16.3931 17.8523 17.8523 17.8758 17.8758 17.9801 17.9801 k = 0.4833 0.2791 0.2586 ( 2869 PWs) bands (ev): -34.1103 -34.1103 -13.1039 -13.1039 -12.6050 -12.6050 -12.5957 -12.5957 0.4466 0.4466 0.4550 0.4550 1.2603 1.2603 1.2942 1.2942 1.3117 1.3117 7.8917 7.8917 9.4124 9.4124 10.6598 10.6598 11.1735 11.1735 11.3047 11.3047 11.4957 11.4957 11.7975 11.7975 12.2689 12.2689 12.2940 12.2940 12.5867 12.5867 12.9288 12.9288 13.0723 13.0723 16.2715 16.2715 16.3814 16.3814 17.8205 17.8205 17.8611 17.8611 17.9752 17.9752 k = 0.4792 0.2766 0.2722 ( 2874 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6049 -12.6049 -12.5958 -12.5958 0.4465 0.4465 0.4548 0.4548 1.2602 1.2602 1.2941 1.2941 1.3114 1.3114 7.8978 7.8978 9.4231 9.4231 10.6575 10.6575 11.1594 11.1594 11.3026 11.3026 11.4995 11.4995 11.7901 11.7901 12.2696 12.2696 12.3070 12.3070 12.5972 12.5972 12.9307 12.9307 13.0803 13.0803 16.2210 16.2210 16.3707 16.3707 17.7851 17.7851 17.8516 17.8516 17.9692 17.9692 k = 0.4750 0.2742 0.2858 ( 2872 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6049 -12.6049 -12.5959 -12.5959 0.4465 0.4465 0.4547 0.4547 1.2603 1.2603 1.2942 1.2942 1.3112 1.3112 7.9053 7.9053 9.4359 9.4359 10.6540 10.6540 11.1440 11.1440 11.3003 11.3003 11.5033 11.5033 11.7824 11.7824 12.2702 12.2702 12.3224 12.3224 12.6094 12.6094 12.9332 12.9332 13.0900 13.0900 16.1612 16.1612 16.3602 16.3602 17.7491 17.7491 17.8435 17.8435 17.9622 17.9622 k = 0.4708 0.2718 0.2994 ( 2867 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6048 -12.6048 -12.5960 -12.5960 0.4465 0.4465 0.4546 0.4546 1.2603 1.2603 1.2943 1.2943 1.3109 1.3109 7.9142 7.9142 9.4507 9.4507 10.6488 10.6488 11.1281 11.1281 11.2975 11.2975 11.5071 11.5071 11.7749 11.7749 12.2708 12.2708 12.3396 12.3396 12.6227 12.6227 12.9366 12.9366 13.1012 13.1012 16.0945 16.0945 16.3491 16.3491 17.7114 17.7114 17.8369 17.8369 17.9545 17.9545 k = 0.4667 0.2694 0.3130 ( 2865 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6047 -12.6047 -12.5961 -12.5961 0.4464 0.4464 0.4544 0.4544 1.2603 1.2603 1.2943 1.2943 1.3106 1.3106 7.9244 7.9244 9.4673 9.4673 10.6414 10.6414 11.1124 11.1124 11.2945 11.2945 11.5107 11.5107 11.7677 11.7677 12.2716 12.2716 12.3580 12.3580 12.6369 12.6369 12.9408 12.9408 13.1140 13.1140 16.0227 16.0227 16.3368 16.3368 17.6704 17.6704 17.8324 17.8324 17.9462 17.9462 k = 0.4625 0.2670 0.3266 ( 2865 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6047 -12.6047 -12.5962 -12.5962 0.4464 0.4464 0.4543 0.4543 1.2602 1.2602 1.2944 1.2944 1.3103 1.3103 7.9358 7.9358 9.4856 9.4856 10.6314 10.6314 11.0978 11.0978 11.2911 11.2911 11.5140 11.5140 11.7614 11.7614 12.2725 12.2725 12.3775 12.3775 12.6516 12.6516 12.9462 12.9462 13.1280 13.1280 15.9473 15.9473 16.3233 16.3233 17.6250 17.6250 17.8302 17.8302 17.9375 17.9375 k = 0.4583 0.2646 0.3402 ( 2868 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6046 -12.6046 -12.5963 -12.5963 0.4463 0.4463 0.4540 0.4540 1.2601 1.2601 1.2944 1.2944 1.3099 1.3099 7.9486 7.9486 9.5052 9.5052 10.6182 10.6182 11.0850 11.0850 11.2874 11.2874 11.5171 11.5171 11.7561 11.7561 12.2738 12.2738 12.3979 12.3979 12.6664 12.6664 12.9528 12.9528 13.1433 13.1433 15.8695 15.8695 16.3083 16.3083 17.5745 17.5745 17.8303 17.8303 17.9289 17.9289 k = 0.4542 0.2622 0.3538 ( 2874 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6045 -12.6045 -12.5965 -12.5965 0.4461 0.4461 0.4537 0.4537 1.2600 1.2600 1.2944 1.2944 1.3095 1.3095 7.9626 7.9626 9.5261 9.5261 10.6016 10.6016 11.0745 11.0745 11.2835 11.2835 11.5201 11.5201 11.7519 11.7519 12.2752 12.2752 12.4191 12.4191 12.6811 12.6811 12.9606 12.9606 13.1596 13.1596 15.7901 15.7901 16.2917 16.2917 17.5186 17.5186 17.8322 17.8322 17.9206 17.9206 k = 0.4500 0.2598 0.3674 ( 2877 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6044 -12.6044 -12.5966 -12.5966 0.4460 0.4460 0.4535 0.4535 1.2598 1.2598 1.2944 1.2944 1.3091 1.3091 7.9778 7.9778 9.5479 9.5479 10.5814 10.5814 11.0668 11.0668 11.2795 11.2795 11.5230 11.5230 11.7492 11.7492 12.2768 12.2768 12.4409 12.4409 12.6954 12.6954 12.9696 12.9696 13.1767 13.1767 15.7099 15.7099 16.2736 16.2736 17.4573 17.4573 17.8356 17.8356 17.9132 17.9132 k = 0.4458 0.2574 0.3810 ( 2873 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6043 -12.6043 -12.5968 -12.5968 0.4460 0.4460 0.4533 0.4533 1.2598 1.2598 1.2945 1.2945 1.3088 1.3088 7.9941 7.9941 9.5702 9.5702 10.5579 10.5579 11.0617 11.0617 11.2756 11.2756 11.5260 11.5260 11.7480 11.7480 12.2785 12.2785 12.4634 12.4634 12.7093 12.7093 12.9797 12.9797 13.1943 13.1943 15.6296 15.6296 16.2539 16.2539 17.3909 17.3909 17.8397 17.8397 17.9073 17.9073 k = 0.4417 0.2550 0.3946 ( 2873 PWs) bands (ev): -34.1102 -34.1102 -13.1039 -13.1039 -12.6042 -12.6042 -12.5970 -12.5970 0.4459 0.4459 0.4530 0.4530 1.2597 1.2597 1.2945 1.2945 1.3084 1.3084 8.0115 8.0115 9.5928 9.5928 10.5312 10.5312 11.0593 11.0593 11.2717 11.2717 11.5290 11.5290 11.7485 11.7485 12.2804 12.2804 12.4864 12.4864 12.7229 12.7229 12.9908 12.9908 13.2122 13.2122 15.5496 15.5496 16.2325 16.2325 17.3201 17.3201 17.8435 17.8435 17.9040 17.9040 k = 0.4375 0.2526 0.4082 ( 2875 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6041 -12.6041 -12.5971 -12.5971 0.4458 0.4458 0.4527 0.4527 1.2596 1.2596 1.2945 1.2945 1.3081 1.3081 8.0299 8.0299 9.6151 9.6151 10.5020 10.5020 11.0591 11.0591 11.2681 11.2681 11.5322 11.5322 11.7508 11.7508 12.2824 12.2824 12.5098 12.5098 12.7363 12.7363 13.0025 13.0025 13.2300 13.2300 15.4704 15.4704 16.2096 16.2096 17.2455 17.2455 17.8460 17.8460 17.9043 17.9043 k = 0.4333 0.2502 0.4219 ( 2879 PWs) bands (ev): -34.1101 -34.1101 -13.1040 -13.1040 -12.6041 -12.6041 -12.5973 -12.5973 0.4456 0.4456 0.4524 0.4524 1.2594 1.2594 1.2944 1.2944 1.3077 1.3077 8.0492 8.0492 9.6368 9.6368 10.4709 10.4709 11.0605 11.0605 11.2648 11.2648 11.5358 11.5358 11.7549 11.7549 12.2844 12.2844 12.5334 12.5334 12.7498 12.7498 13.0146 13.0146 13.2475 13.2475 15.3924 15.3924 16.1850 16.1850 17.1681 17.1681 17.8465 17.8465 17.9087 17.9087 k = 0.4292 0.2478 0.4355 ( 2875 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6040 -12.6040 -12.5975 -12.5975 0.4455 0.4455 0.4522 0.4522 1.2593 1.2593 1.2944 1.2944 1.3075 1.3075 8.0693 8.0693 9.6573 9.6573 10.4387 10.4387 11.0633 11.0633 11.2621 11.2621 11.5400 11.5400 11.7609 11.7609 12.2866 12.2866 12.5572 12.5572 12.7638 12.7638 13.0267 13.0267 13.2642 13.2642 15.3162 15.3162 16.1589 16.1589 17.0891 17.0891 17.8455 17.8455 17.9169 17.9169 k = 0.4250 0.2454 0.4491 ( 2871 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6038 -12.6038 -12.5976 -12.5976 0.4455 0.4455 0.4520 0.4520 1.2591 1.2591 1.2944 1.2944 1.3073 1.3073 8.0901 8.0901 9.6760 9.6760 10.4063 10.4063 11.0666 11.0666 11.2599 11.2599 11.5450 11.5450 11.7688 11.7688 12.2890 12.2890 12.5807 12.5807 12.7787 12.7787 13.0384 13.0384 13.2797 13.2797 15.2423 15.2423 16.1314 16.1314 17.0096 17.0096 17.8441 17.8441 17.9277 17.9277 k = 0.4208 0.2430 0.4627 ( 2871 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6038 -12.6038 -12.5978 -12.5978 0.4453 0.4453 0.4518 0.4518 1.2590 1.2590 1.2943 1.2943 1.3072 1.3072 8.1114 8.1114 9.6922 9.6922 10.3745 10.3745 11.0702 11.0702 11.2584 11.2584 11.5510 11.5510 11.7784 11.7784 12.2915 12.2915 12.6036 12.6036 12.7952 12.7952 13.0494 13.0494 13.2935 13.2935 15.1711 15.1711 16.1024 16.1024 16.9307 16.9307 17.8429 17.8429 17.9403 17.9403 k = 0.4167 0.2406 0.4763 ( 2877 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6037 -12.6037 -12.5980 -12.5980 0.4451 0.4451 0.4515 0.4515 1.2587 1.2587 1.2941 1.2941 1.3070 1.3070 8.1331 8.1331 9.7052 9.7052 10.3443 10.3443 11.0736 11.0736 11.2574 11.2574 11.5582 11.5582 11.7897 11.7897 12.2941 12.2941 12.6258 12.6258 12.8135 12.8135 13.0595 13.0595 13.3052 13.3052 15.1033 15.1033 16.0720 16.0720 16.8533 16.8533 17.8427 17.8427 17.9540 17.9540 k = 0.4125 0.2382 0.4899 ( 2870 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6036 -12.6036 -12.5981 -12.5981 0.4450 0.4450 0.4514 0.4514 1.2586 1.2586 1.2940 1.2940 1.3070 1.3070 8.1549 8.1549 9.7142 9.7142 10.3169 10.3169 11.0766 11.0766 11.2569 11.2569 11.5668 11.5668 11.8025 11.8025 12.2971 12.2971 12.6468 12.6468 12.8343 12.8343 13.0684 13.0684 13.3143 13.3143 15.0395 15.0395 16.0403 16.0403 16.7786 16.7786 17.8436 17.8436 17.9683 17.9683 k = 0.4083 0.2358 0.5035 ( 2866 PWs) bands (ev): -34.1101 -34.1101 -13.1039 -13.1039 -12.6035 -12.6035 -12.5982 -12.5982 0.4448 0.4448 0.4513 0.4513 1.2584 1.2584 1.2939 1.2939 1.3070 1.3070 8.1767 8.1767 9.7182 9.7182 10.2932 10.2932 11.0790 11.0790 11.2569 11.2569 11.5770 11.5770 11.8166 11.8166 12.3003 12.3003 12.6665 12.6665 12.8576 12.8576 13.0761 13.0761 13.3204 13.3204 14.9806 14.9806 16.0074 16.0074 16.7071 16.7071 17.8460 17.8460 17.9826 17.9826 k = 0.4042 0.2333 0.5171 ( 2868 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6035 -12.6035 -12.5983 -12.5983 0.4446 0.4446 0.4511 0.4511 1.2582 1.2582 1.2937 1.2937 1.3070 1.3070 8.1981 8.1981 9.7166 9.7166 10.2742 10.2742 11.0808 11.0808 11.2571 11.2571 11.5888 11.5888 11.8315 11.8315 12.3038 12.3038 12.6850 12.6850 12.8837 12.8837 13.0822 13.0822 13.3230 13.3230 14.9271 14.9271 15.9732 15.9732 16.6395 16.6395 17.8500 17.8500 17.9965 17.9965 k = 0.4000 0.2309 0.5307 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5984 -12.5984 0.4444 0.4444 0.4509 0.4509 1.2579 1.2579 1.2934 1.2934 1.3070 1.3070 8.2188 8.2188 9.7090 9.7090 10.2604 10.2604 11.0819 11.0819 11.2576 11.2576 11.6021 11.6021 11.8470 11.8470 12.3077 12.3077 12.7023 12.7023 12.9124 12.9124 13.0869 13.0869 13.3220 13.3220 14.8799 14.8799 15.9379 15.9379 16.5764 16.5764 17.8555 17.8555 18.0092 18.0092 k = 0.3958 0.2285 0.5443 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5985 -12.5985 0.4441 0.4441 0.4509 0.4509 1.2577 1.2577 1.2932 1.2932 1.3071 1.3071 8.2384 8.2384 9.6955 9.6955 10.2523 10.2523 11.0825 11.0825 11.2584 11.2584 11.6167 11.6167 11.8627 11.8627 12.3120 12.3120 12.7186 12.7186 12.9434 12.9434 13.0902 13.0902 13.3174 13.3174 14.8394 14.8394 15.9015 15.9015 16.5180 16.5180 17.8623 17.8623 18.0198 18.0198 k = 0.3917 0.2261 0.5579 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4439 0.4439 0.4508 0.4508 1.2575 1.2575 1.2930 1.2930 1.3072 1.3072 8.2567 8.2567 9.6765 9.6765 10.2496 10.2496 11.0826 11.0826 11.2595 11.2595 11.6323 11.6323 11.8781 11.8781 12.3167 12.3167 12.7341 12.7341 12.9762 12.9762 13.0921 13.0921 13.3096 13.3096 14.8063 14.8063 15.8640 15.8640 16.4646 16.4646 17.8701 17.8701 18.0276 18.0276 k = 0.3875 0.2237 0.5715 ( 2869 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4436 0.4436 0.4508 0.4508 1.2572 1.2572 1.2928 1.2928 1.3074 1.3074 8.2731 8.2731 9.6528 9.6528 10.2520 10.2520 11.0823 11.0823 11.2609 11.2609 11.6486 11.6486 11.8926 11.8926 12.3218 12.3218 12.7488 12.7488 13.0102 13.0102 13.0930 13.0930 13.2995 13.2995 14.7807 14.7807 15.8256 15.8256 16.4162 16.4162 17.8775 17.8775 18.0313 18.0313 k = 0.3833 0.2213 0.5852 ( 2872 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4433 0.4433 0.4508 0.4508 1.2569 1.2569 1.2926 1.2926 1.3075 1.3075 8.2871 8.2871 9.6256 9.6256 10.2587 10.2587 11.0815 11.0815 11.2630 11.2630 11.6652 11.6652 11.9058 11.9058 12.3272 12.3272 12.7627 12.7627 13.0431 13.0431 13.0946 13.0946 13.2884 13.2884 14.7627 14.7627 15.7862 15.7862 16.3727 16.3727 17.8805 17.8805 18.0163 18.0163 k = 0.3792 0.2189 0.5988 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4431 0.4431 0.4508 0.4508 1.2567 1.2567 1.2924 1.2924 1.3077 1.3077 8.2982 8.2982 9.5960 9.5960 10.2692 10.2692 11.0803 11.0803 11.2658 11.2658 11.6817 11.6817 11.9172 11.9172 12.3328 12.3328 12.7757 12.7757 13.0667 13.0667 13.1043 13.1043 13.2785 13.2785 14.7521 14.7521 15.7461 15.7461 16.3340 16.3340 17.8682 17.8682 17.9809 17.9809 k = 0.3750 0.2165 0.6124 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4428 0.4428 0.4508 0.4508 1.2565 1.2565 1.2923 1.2923 1.3078 1.3078 8.3057 8.3057 9.5652 9.5652 10.2830 10.2830 11.0787 11.0787 11.2697 11.2697 11.6977 11.6977 11.9265 11.9265 12.3382 12.3382 12.7870 12.7870 13.0717 13.0717 13.1305 13.1305 13.2728 13.2728 14.7485 14.7485 15.7053 15.7053 16.2997 16.2997 17.8321 17.8321 17.9742 17.9742 k = 0.6250-0.0722 0.4082 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6034 -12.6034 -12.5986 -12.5986 0.4428 0.4428 0.4508 0.4508 1.2565 1.2565 1.2923 1.2923 1.3078 1.3078 8.3057 8.3057 9.5652 9.5652 10.2830 10.2830 11.0787 11.0787 11.2697 11.2697 11.6977 11.6977 11.9265 11.9265 12.3382 12.3382 12.7870 12.7870 13.0717 13.0717 13.1305 13.1305 13.2728 13.2728 14.7485 14.7485 15.7053 15.7053 16.2997 16.2997 17.8321 17.8321 17.9742 17.9742 k = 0.6181-0.0842 0.4082 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6035 -12.6035 -12.5985 -12.5985 0.4423 0.4423 0.4509 0.4509 1.2561 1.2561 1.2920 1.2920 1.3081 1.3081 8.3136 8.3136 9.5147 9.5147 10.3085 10.3085 11.0747 11.0747 11.2775 11.2775 11.7230 11.7230 11.9393 11.9393 12.3466 12.3466 12.8000 12.8000 13.0703 13.0703 13.1832 13.1832 13.2760 13.2760 14.7480 14.7480 15.6360 15.6360 16.2465 16.2465 17.7589 17.7589 17.9815 17.9815 k = 0.6111-0.0962 0.4082 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6035 -12.6035 -12.5984 -12.5984 0.4419 0.4419 0.4510 0.4510 1.2556 1.2556 1.2917 1.2917 1.3084 1.3084 8.3190 8.3190 9.4670 9.4670 10.3341 10.3341 11.0695 11.0695 11.2865 11.2865 11.7467 11.7467 11.9510 11.9510 12.3540 12.3540 12.8001 12.8001 13.0778 13.0778 13.2332 13.2332 13.2959 13.2959 14.7474 14.7474 15.5655 15.5655 16.1942 16.1942 17.6885 17.6885 17.9870 17.9870 k = 0.6042-0.1083 0.4082 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6036 -12.6036 -12.5984 -12.5984 0.4415 0.4415 0.4511 0.4511 1.2552 1.2552 1.2914 1.2914 1.3087 1.3087 8.3223 8.3223 9.4219 9.4219 10.3597 10.3597 11.0633 11.0633 11.2966 11.2966 11.7681 11.7681 11.9616 11.9616 12.3600 12.3600 12.7843 12.7843 13.1011 13.1011 13.2682 13.2682 13.3412 13.3412 14.7465 14.7465 15.4937 15.4937 16.1423 16.1423 17.6215 17.6215 17.9899 17.9899 k = 0.5972-0.1203 0.4082 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6037 -12.6037 -12.5983 -12.5983 0.4410 0.4410 0.4512 0.4512 1.2548 1.2548 1.2911 1.2911 1.3090 1.3090 8.3238 8.3238 9.3796 9.3796 10.3852 10.3852 11.0563 11.0563 11.3081 11.3081 11.7865 11.7865 11.9717 11.9717 12.3646 12.3646 12.7554 12.7554 13.1386 13.1386 13.2924 13.2924 13.4054 13.4054 14.7453 14.7453 15.4207 15.4207 16.0905 16.0905 17.5580 17.5580 17.9909 17.9909 k = 0.5903-0.1323 0.4082 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6038 -12.6038 -12.5982 -12.5982 0.4404 0.4404 0.4513 0.4513 1.2542 1.2542 1.2908 1.2908 1.3092 1.3092 8.3237 8.3237 9.3401 9.3401 10.4103 10.4103 11.0487 11.0487 11.3209 11.3209 11.8014 11.8014 11.9814 11.9814 12.3676 12.3676 12.7186 12.7186 13.1852 13.1852 13.3160 13.3160 13.4784 13.4784 14.7438 14.7438 15.3467 15.3467 16.0384 16.0384 17.4983 17.4983 17.9917 17.9917 k = 0.5833-0.1443 0.4082 ( 2870 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6038 -12.6038 -12.5981 -12.5981 0.4401 0.4401 0.4514 0.4514 1.2538 1.2538 1.2906 1.2906 1.3096 1.3096 8.3226 8.3226 9.3034 9.3034 10.4350 10.4350 11.0408 11.0408 11.3352 11.3352 11.8125 11.8125 11.9909 11.9909 12.3692 12.3692 12.6779 12.6779 13.2340 13.2340 13.3441 13.3441 13.5567 13.5567 14.7418 14.7418 15.2720 15.2720 15.9857 15.9857 17.4426 17.4426 17.9932 17.9932 k = 0.5764-0.1564 0.4082 ( 2868 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6039 -12.6039 -12.5980 -12.5980 0.4397 0.4397 0.4515 0.4515 1.2535 1.2535 1.2903 1.2903 1.3098 1.3098 8.3205 8.3205 9.2696 9.2696 10.4589 10.4589 11.0328 11.0328 11.3509 11.3509 11.8197 11.8197 12.0002 12.0002 12.3695 12.3695 12.6363 12.6363 13.2769 13.2769 13.3826 13.3826 13.6391 13.6391 14.7392 14.7392 15.1969 15.1969 15.9323 15.9323 17.3910 17.3910 17.9954 17.9954 k = 0.5694-0.1684 0.4082 ( 2864 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6040 -12.6040 -12.5979 -12.5979 0.4394 0.4394 0.4516 0.4516 1.2531 1.2531 1.2901 1.2901 1.3101 1.3101 8.3178 8.3178 9.2387 9.2387 10.4820 10.4820 11.0248 11.0248 11.3680 11.3680 11.8230 11.8230 12.0090 12.0090 12.3685 12.3685 12.5956 12.5956 13.3086 13.3086 13.4352 13.4352 13.7243 13.7243 14.7354 14.7354 15.1222 15.1222 15.8780 15.8780 17.3436 17.3436 17.9982 17.9982 k = 0.5625-0.1804 0.4082 ( 2866 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6040 -12.6040 -12.5978 -12.5978 0.4390 0.4390 0.4516 0.4516 1.2527 1.2527 1.2898 1.2898 1.3104 1.3104 8.3147 8.3147 9.2107 9.2107 10.5039 10.5039 11.0170 11.0170 11.3866 11.3866 11.8225 11.8225 12.0169 12.0169 12.3665 12.3665 12.5573 12.5573 13.3311 13.3311 13.4987 13.4987 13.8113 13.8113 14.7298 14.7298 15.0489 15.0489 15.8227 15.8227 17.3005 17.3005 18.0014 18.0014 k = 0.5556-0.1925 0.4082 ( 2862 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6041 -12.6041 -12.5977 -12.5977 0.4387 0.4387 0.4517 0.4517 1.2524 1.2524 1.2896 1.2896 1.3107 1.3107 8.3114 8.3114 9.1855 9.1855 10.5245 10.5245 11.0095 11.0095 11.4066 11.4066 11.8183 11.8183 12.0236 12.0236 12.3635 12.3635 12.5226 12.5226 13.3482 13.3482 13.5685 13.5685 13.8987 13.8987 14.7204 14.7204 14.9792 14.9792 15.7666 15.7666 17.2617 17.2617 18.0049 18.0049 k = 0.5486-0.2045 0.4082 ( 2878 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6042 -12.6042 -12.5977 -12.5977 0.4382 0.4382 0.4516 0.4516 1.2520 1.2520 1.2892 1.2892 1.3107 1.3107 8.3080 8.3080 9.1633 9.1633 10.5434 10.5434 11.0024 11.0024 11.4280 11.4280 11.8106 11.8106 12.0287 12.0287 12.3596 12.3596 12.4924 12.4924 13.3619 13.3619 13.6418 13.6418 13.9845 13.9845 14.7040 14.7040 14.9170 14.9170 15.7100 15.7100 17.2274 17.2274 18.0083 18.0083 k = 0.5417-0.2165 0.4082 ( 2876 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6043 -12.6043 -12.5976 -12.5976 0.4380 0.4380 0.4517 0.4517 1.2517 1.2517 1.2891 1.2891 1.3109 1.3109 8.3048 8.3048 9.1441 9.1441 10.5605 10.5605 10.9960 10.9960 11.4505 11.4505 11.7997 11.7997 12.0322 12.0322 12.3552 12.3552 12.4673 12.4673 13.3731 13.3731 13.7173 13.7173 14.0666 14.0666 14.6752 14.6752 14.8684 14.8684 15.6537 15.6537 17.1976 17.1976 18.0115 18.0115 k = 0.5347-0.2285 0.4082 ( 2882 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6043 -12.6043 -12.5975 -12.5975 0.4377 0.4377 0.4517 0.4517 1.2515 1.2515 1.2888 1.2888 1.3110 1.3110 8.3019 8.3019 9.1278 9.1278 10.5754 10.5754 10.9903 10.9903 11.4738 11.4738 11.7859 11.7859 12.0341 12.0341 12.3505 12.3505 12.4474 12.4474 13.3823 13.3823 13.7941 13.7941 14.1418 14.1418 14.6312 14.6312 14.8375 14.8375 15.5988 15.5988 17.1722 17.1722 18.0144 18.0144 k = 0.5278-0.2406 0.4082 ( 2876 PWs) bands (ev): -34.1100 -34.1100 -13.1039 -13.1039 -12.6043 -12.6043 -12.5975 -12.5975 0.4376 0.4376 0.4518 0.4518 1.2513 1.2513 1.2888 1.2888 1.3112 1.3112 8.2994 8.2994 9.1144 9.1144 10.5880 10.5880 10.9855 10.9855 11.4974 11.4974 11.7698 11.7698 12.0348 12.0348 12.3460 12.3460 12.4324 12.4324 13.3897 13.3897 13.8715 13.8715 14.2056 14.2056 14.5772 14.5772 14.8216 14.8216 15.5472 15.5472 17.1515 17.1515 18.0169 18.0169 k = 0.5208-0.2526 0.4082 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6044 -12.6044 -12.5974 -12.5974 0.4375 0.4375 0.4518 0.4518 1.2512 1.2512 1.2887 1.2887 1.3115 1.3115 8.2973 8.2973 9.1040 9.1040 10.5981 10.5981 10.9816 10.9816 11.5202 11.5202 11.7526 11.7526 12.0347 12.0347 12.3422 12.3422 12.4216 12.4216 13.3954 13.3954 13.9485 13.9485 14.2503 14.2503 14.5242 14.5242 14.8149 14.8149 15.5013 15.5013 17.1353 17.1353 18.0188 18.0189 k = 0.5139-0.2646 0.4082 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6044 -12.6044 -12.5974 -12.5974 0.4374 0.4374 0.4519 0.4519 1.2510 1.2510 1.2886 1.2886 1.3115 1.3115 8.2958 8.2958 9.0966 9.0966 10.6054 10.6054 10.9787 10.9787 11.5404 11.5404 11.7360 11.7360 12.0342 12.0342 12.3394 12.3394 12.4144 12.4144 13.3995 13.3995 14.0239 14.0239 14.2638 14.2638 14.4859 14.4859 14.8131 14.8131 15.4644 15.4644 17.1237 17.1237 18.0203 18.0203 k = 0.5069-0.2766 0.4082 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6044 -12.6044 -12.5974 -12.5974 0.4373 0.4373 0.4519 0.4519 1.2510 1.2510 1.2886 1.2886 1.3116 1.3116 8.2948 8.2948 9.0922 9.0922 10.6098 10.6098 10.9769 10.9769 11.5552 11.5552 11.7234 11.7234 12.0337 12.0337 12.3376 12.3376 12.4103 12.4103 13.4019 13.4019 14.0938 14.0938 14.2406 14.2406 14.4706 14.4706 14.8133 14.8133 15.4401 15.4401 17.1168 17.1168 18.0211 18.0211 k = 0.5000-0.2887 0.4082 ( 2874 PWs) bands (ev): -34.1100 -34.1100 -13.1038 -13.1038 -12.6044 -12.6044 -12.5974 -12.5974 0.4373 0.4373 0.4519 0.4519 1.2510 1.2510 1.2885 1.2885 1.3116 1.3116 8.2945 8.2945 9.0907 9.0907 10.6113 10.6113 10.9764 10.9764 11.5608 11.5608 11.7185 11.7185 12.0335 12.0335 12.3370 12.3370 12.4089 12.4089 13.4027 13.4027 14.1351 14.1351 14.2124 14.2124 14.4682 14.4682 14.8137 14.8137 15.4316 15.4316 17.1145 17.1145 18.0214 18.0214 Writing output data file ScInPt2.save init_run : 0.30s CPU 0.45s WALL ( 1 calls) electrons : 179.94s CPU 182.75s 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 : 179.92s CPU 182.74s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 327 calls) cegterg : 166.88s CPU 169.18s WALL ( 556 calls) Called by sum_band: Called by *egterg: h_psi : 96.37s CPU 98.07s WALL ( 8349 calls) s_psi : 6.16s CPU 6.24s WALL ( 8349 calls) g_psi : 0.20s CPU 0.21s WALL ( 7466 calls) cdiaghg : 59.09s CPU 59.94s WALL ( 7793 calls) cegterg:over : 6.00s CPU 5.90s WALL ( 7466 calls) cegterg:upda : 4.18s CPU 4.19s WALL ( 7466 calls) cegterg:last : 2.78s CPU 2.75s WALL ( 1537 calls) cdiaghg:chol : 3.16s CPU 3.33s WALL ( 7793 calls) cdiaghg:inve : 2.22s CPU 2.29s WALL ( 7793 calls) cdiaghg:para : 3.74s CPU 3.64s WALL ( 15586 calls) Called by h_psi: h_psi:vloc : 83.59s CPU 84.96s WALL ( 8349 calls) h_psi:vnl : 12.59s CPU 12.91s WALL ( 8349 calls) add_vuspsi : 6.73s CPU 7.02s WALL ( 8349 calls) General routines calbec : 5.83s CPU 5.87s WALL ( 8349 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 77.72s CPU 78.68s WALL ( 1025812 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.23s WALL ( 654 calls) Parallel routines fft_scatter : 27.78s CPU 28.09s WALL ( 1025835 calls) PWSCF : 3m14.14s CPU 3m27.01s WALL This run was terminated on: 19:52:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=