Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 8:33 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: ./Sn2Pt.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 61 26 7 1874 544 85 Max 62 27 8 1878 565 90 Sum 2197 955 283 67529 19891 3143 bravais-lattice index = 14 lattice parameter (alat) = 8.5693 a.u. unit-cell volume = 444.9592 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.569295 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 Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 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 Sn 14.00 118.71000 Sn( 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= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0030488 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0030488 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0030488 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0030488 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0030488 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0030488 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0030488 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0030488 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0030488 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0030488 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0030488 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0030488 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0030488 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0030488 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0030488 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0030488 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0030488 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0030488 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0030488 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0030488 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0030488 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0030488 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0030488 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0030488 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0030488 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0030488 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0030488 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0030488 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0030488 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0030488 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0030488 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0030488 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0030488 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0030488 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0030488 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0030488 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0030488 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0030488 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0030488 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0030488 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030488 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030488 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030488 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030488 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030488 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030488 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030488 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030488 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030488 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030488 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030488 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030488 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030488 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030488 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030488 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030488 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030488 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030488 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030488 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030488 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030488 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030488 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030488 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030488 k( 76) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 78) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030488 k( 79) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030488 k( 80) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030488 k( 81) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030488 k( 82) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030488 k( 83) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030488 k( 84) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030488 k( 85) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030488 k( 86) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030488 k( 87) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030488 k( 88) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030488 k( 89) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030488 k( 90) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030488 k( 91) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030488 k( 92) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030488 k( 93) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030488 k( 94) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030488 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 97) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030488 k( 98) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030488 k( 99) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030488 k( 100) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030488 k( 101) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030488 k( 102) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030488 k( 103) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030488 k( 104) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030488 k( 105) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030488 k( 106) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030488 k( 107) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030488 k( 108) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030488 k( 109) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030488 k( 110) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030488 k( 111) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030488 k( 112) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030488 k( 113) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030488 k( 114) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030488 k( 115) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030488 k( 116) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030488 k( 117) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030488 k( 118) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030488 k( 119) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030488 k( 120) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030488 k( 121) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030488 k( 122) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030488 k( 123) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030488 k( 124) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030488 k( 125) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030488 k( 126) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030488 k( 127) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030488 k( 128) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030488 k( 129) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030488 k( 130) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030488 k( 131) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030488 k( 132) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030488 k( 133) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030488 k( 134) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030488 k( 135) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030488 k( 136) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030488 k( 137) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030488 k( 138) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030488 k( 139) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030488 k( 140) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030488 k( 141) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030488 k( 142) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030488 k( 143) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030488 k( 144) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030488 k( 145) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030488 k( 146) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030488 k( 147) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030488 k( 151) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030488 k( 152) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030488 k( 153) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030488 k( 154) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030488 k( 155) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030488 k( 156) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030488 k( 157) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030488 k( 158) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030488 k( 159) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030488 k( 160) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030488 k( 161) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030488 k( 162) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030488 k( 163) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030488 k( 164) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030488 k( 165) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030488 k( 166) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030488 k( 167) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030488 k( 168) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030488 k( 169) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030488 k( 170) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030488 k( 171) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030488 k( 172) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030488 k( 173) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030488 k( 174) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030488 k( 175) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030488 k( 176) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030488 k( 177) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030488 k( 178) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030488 k( 179) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030488 k( 180) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030488 k( 181) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030488 k( 182) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030488 k( 183) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030488 k( 184) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030488 k( 185) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030488 k( 186) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030488 k( 187) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030488 k( 188) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030488 k( 189) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030488 k( 190) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030488 k( 191) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030488 k( 192) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 193) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 194) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0030488 k( 195) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0030488 k( 196) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0030488 k( 197) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0030488 k( 198) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0030488 k( 199) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0030488 k( 200) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0030488 k( 201) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0030488 k( 202) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0030488 k( 203) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0030488 k( 204) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0030488 k( 205) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0030488 k( 206) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0030488 k( 207) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0030488 k( 208) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0030488 k( 209) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0030488 k( 210) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0030488 k( 211) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0030488 k( 212) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0030488 k( 213) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0030488 k( 214) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0030488 k( 215) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0030488 k( 216) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0030488 k( 217) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0030488 k( 218) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0030488 k( 219) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0030488 k( 220) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0030488 k( 221) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0030488 k( 222) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0030488 k( 223) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 224) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 225) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030488 k( 226) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030488 k( 227) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030488 k( 228) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030488 k( 229) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030488 k( 230) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030488 k( 231) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030488 k( 232) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030488 k( 233) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030488 k( 234) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030488 k( 235) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030488 k( 236) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030488 k( 237) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030488 k( 238) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030488 k( 239) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030488 k( 240) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030488 k( 241) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030488 k( 242) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 243) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 244) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030488 k( 245) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030488 k( 246) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030488 k( 247) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030488 k( 248) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030488 k( 249) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030488 k( 250) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030488 k( 251) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030488 k( 252) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030488 k( 253) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030488 k( 254) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030488 k( 255) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030488 k( 256) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030488 k( 257) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030488 k( 258) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030488 k( 259) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030488 k( 260) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030488 k( 261) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030488 k( 262) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030488 k( 263) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030488 k( 264) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030488 k( 265) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030488 k( 266) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030488 k( 267) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030488 k( 268) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030488 k( 269) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030488 k( 270) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030488 k( 271) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030488 k( 272) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030488 k( 273) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030488 k( 274) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030488 k( 275) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030488 k( 276) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030488 k( 277) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030488 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 279) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 280) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0030488 k( 281) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0030488 k( 282) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0030488 k( 283) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0030488 k( 284) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0030488 k( 285) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0030488 k( 286) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0030488 k( 287) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0030488 k( 288) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0030488 k( 289) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0030488 k( 290) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0030488 k( 291) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0030488 k( 292) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0030488 k( 293) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0030488 k( 294) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0030488 k( 295) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0030488 k( 296) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0030488 k( 297) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0030488 k( 298) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0030488 k( 299) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0030488 k( 300) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0030488 k( 301) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0030488 k( 302) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0030488 k( 303) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0030488 k( 304) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0030488 k( 305) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0030488 k( 306) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0030488 k( 307) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0030488 k( 308) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0030488 k( 309) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 310) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 311) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030488 k( 312) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030488 k( 313) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030488 k( 314) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030488 k( 315) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030488 k( 316) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030488 k( 317) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030488 k( 318) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030488 k( 319) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030488 k( 320) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030488 k( 321) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030488 k( 322) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030488 k( 323) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030488 k( 324) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030488 k( 325) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030488 k( 326) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030488 k( 327) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030488 k( 328) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0030488 k( 4) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0000000 0.0408163), wk = 0.0030488 k( 6) = ( 0.0510204 0.0000000 0.0510204), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0000000 0.0612245), wk = 0.0030488 k( 8) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0000000 0.0816327), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0030488 k( 11) = ( 0.1020408 0.0000000 0.1020408), wk = 0.0030488 k( 12) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0000000 0.1224490), wk = 0.0030488 k( 14) = ( 0.1326531 -0.0000000 0.1326531), wk = 0.0030488 k( 15) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0000000 0.1632653), wk = 0.0030488 k( 18) = ( 0.1734694 -0.0000000 0.1734694), wk = 0.0030488 k( 19) = ( 0.1836735 -0.0000000 0.1836735), wk = 0.0030488 k( 20) = ( 0.1938776 -0.0000000 0.1938776), wk = 0.0030488 k( 21) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0030488 k( 22) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0030488 k( 23) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0030488 k( 24) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0030488 k( 25) = ( 0.2448980 -0.0000000 0.2448980), wk = 0.0030488 k( 26) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0030488 k( 27) = ( 0.2653061 -0.0000000 0.2653061), wk = 0.0030488 k( 28) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0030488 k( 29) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0030488 k( 30) = ( 0.2959184 -0.0000000 0.2959184), wk = 0.0030488 k( 31) = ( 0.3061224 -0.0000000 0.3061224), wk = 0.0030488 k( 32) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0030488 k( 33) = ( 0.3265306 -0.0000000 0.3265306), wk = 0.0030488 k( 34) = ( 0.3367347 -0.0000000 0.3367347), wk = 0.0030488 k( 35) = ( 0.3469388 -0.0000000 0.3469388), wk = 0.0030488 k( 36) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0030488 k( 37) = ( 0.3673469 -0.0000000 0.3673469), wk = 0.0030488 k( 38) = ( 0.3775510 0.0000000 0.3775510), wk = 0.0030488 k( 39) = ( 0.3877551 -0.0000000 0.3877551), wk = 0.0030488 k( 40) = ( 0.3979592 -0.0000000 0.3979592), wk = 0.0030488 k( 41) = ( 0.4081633 -0.0000000 0.4081633), wk = 0.0030488 k( 42) = ( 0.4183674 -0.0000000 0.4183674), wk = 0.0030488 k( 43) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0030488 k( 44) = ( 0.4387755 -0.0000000 0.4387755), wk = 0.0030488 k( 45) = ( 0.4489796 -0.0000000 0.4489796), wk = 0.0030488 k( 46) = ( 0.4591837 0.0000000 0.4591837), wk = 0.0030488 k( 47) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0030488 k( 48) = ( 0.4795918 -0.0000000 0.4795918), wk = 0.0030488 k( 49) = ( 0.4897959 -0.0000000 0.4897959), wk = 0.0030488 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030488 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030488 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030488 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030488 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030488 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030488 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030488 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030488 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030488 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030488 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030488 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030488 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030488 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030488 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030488 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030488 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030488 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030488 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030488 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030488 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030488 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030488 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030488 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030488 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030488 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030488 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030488 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030488 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030488 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030488 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030488 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030488 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030488 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030488 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030488 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030488 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030488 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030488 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030488 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030488 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030488 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030488 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030488 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030488 k( 100) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030488 k( 101) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030488 k( 102) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030488 k( 103) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030488 k( 104) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030488 k( 105) = ( 0.3100962 0.3100962 0.6201923), wk = 0.0030488 k( 106) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030488 k( 107) = ( 0.2956731 0.2956731 0.5913462), wk = 0.0030488 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030488 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030488 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030488 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030488 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030488 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030488 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030488 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030488 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030488 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030488 k( 118) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030488 k( 119) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030488 k( 120) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0030488 k( 121) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030488 k( 122) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030488 k( 123) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030488 k( 124) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030488 k( 125) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030488 k( 126) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030488 k( 127) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030488 k( 128) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030488 k( 129) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030488 k( 130) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030488 k( 131) = ( 0.1225962 0.1225962 0.2451923), wk = 0.0030488 k( 132) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030488 k( 133) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030488 k( 134) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030488 k( 135) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030488 k( 136) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030488 k( 137) = ( 0.0793269 0.0793269 0.1586539), wk = 0.0030488 k( 138) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030488 k( 139) = ( 0.0649038 0.0649038 0.1298077), wk = 0.0030488 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030488 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030488 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030488 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030488 k( 144) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030488 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030488 k( 146) = ( 0.0144231 0.0144231 0.0288462), wk = 0.0030488 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030488 k( 151) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030488 k( 152) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030488 k( 153) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030488 k( 154) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030488 k( 155) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030488 k( 156) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0030488 k( 157) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030488 k( 158) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030488 k( 159) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030488 k( 160) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030488 k( 161) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030488 k( 162) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030488 k( 163) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030488 k( 164) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030488 k( 165) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030488 k( 166) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030488 k( 167) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030488 k( 168) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030488 k( 169) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030488 k( 170) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030488 k( 171) = ( 0.2558140 0.2558140 0.2558139), wk = 0.0030488 k( 172) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030488 k( 173) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030488 k( 174) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030488 k( 175) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030488 k( 176) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030488 k( 177) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030488 k( 178) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030488 k( 179) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030488 k( 180) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030488 k( 181) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030488 k( 182) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030488 k( 183) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030488 k( 184) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030488 k( 185) = ( 0.4186047 0.4186047 0.4186046), wk = 0.0030488 k( 186) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030488 k( 187) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030488 k( 188) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030488 k( 189) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030488 k( 190) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030488 k( 191) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030488 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 194) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030488 k( 195) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030488 k( 196) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030488 k( 197) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030488 k( 198) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030488 k( 199) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030488 k( 200) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030488 k( 201) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030488 k( 202) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030488 k( 203) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030488 k( 204) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030488 k( 205) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030488 k( 206) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030488 k( 207) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030488 k( 208) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030488 k( 209) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030488 k( 210) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030488 k( 211) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030488 k( 212) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030488 k( 213) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030488 k( 214) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030488 k( 215) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030488 k( 216) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030488 k( 217) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030488 k( 218) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030488 k( 219) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030488 k( 220) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030488 k( 221) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030488 k( 222) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030488 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 224) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 225) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030488 k( 226) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030488 k( 227) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030488 k( 228) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030488 k( 229) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030488 k( 230) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030488 k( 231) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030488 k( 232) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030488 k( 233) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030488 k( 234) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030488 k( 235) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030488 k( 236) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030488 k( 237) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030488 k( 238) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030488 k( 239) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030488 k( 240) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030488 k( 241) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030488 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 243) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 244) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030488 k( 245) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030488 k( 246) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030488 k( 247) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030488 k( 248) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030488 k( 249) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030488 k( 250) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030488 k( 251) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030488 k( 252) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030488 k( 253) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030488 k( 254) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030488 k( 255) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030488 k( 256) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030488 k( 257) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030488 k( 258) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030488 k( 259) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030488 k( 260) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030488 k( 261) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030488 k( 262) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030488 k( 263) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030488 k( 264) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030488 k( 265) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030488 k( 266) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030488 k( 267) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030488 k( 268) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030488 k( 269) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030488 k( 270) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030488 k( 271) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030488 k( 272) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030488 k( 273) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030488 k( 274) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030488 k( 275) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030488 k( 276) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030488 k( 277) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030488 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 280) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030488 k( 281) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030488 k( 282) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030488 k( 283) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030488 k( 284) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030488 k( 285) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030488 k( 286) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030488 k( 287) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030488 k( 288) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030488 k( 289) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030488 k( 290) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030488 k( 291) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030488 k( 292) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030488 k( 293) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030488 k( 294) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030488 k( 295) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030488 k( 296) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030488 k( 297) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030488 k( 298) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030488 k( 299) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030488 k( 300) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030488 k( 301) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030488 k( 302) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030488 k( 303) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030488 k( 304) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030488 k( 305) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030488 k( 306) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030488 k( 307) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030488 k( 308) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030488 k( 309) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 310) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 311) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030488 k( 312) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030488 k( 313) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030488 k( 314) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030488 k( 315) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030488 k( 316) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030488 k( 317) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030488 k( 318) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030488 k( 319) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030488 k( 320) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030488 k( 321) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030488 k( 322) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030488 k( 323) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030488 k( 324) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030488 k( 325) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030488 k( 326) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030488 k( 327) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030488 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 Dense grid: 67529 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 19891 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 146, 46) NL pseudopotentials 0.11 Mb ( 73, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1875) G-vector shells 0.00 Mb ( 461) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.41 Mb ( 146, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.14 Mb ( 102, 2, 46) The potential is recalculated from file : ./Sn2Pt.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.3 secs Computing kpt #: 13 total cpu time spent up to now is 7.8 secs Computing kpt #: 14 total cpu time spent up to now is 8.2 secs Computing kpt #: 15 total cpu time spent up to now is 8.6 secs Computing kpt #: 16 total cpu time spent up to now is 9.1 secs Computing kpt #: 17 total cpu time spent up to now is 9.5 secs Computing kpt #: 18 total cpu time spent up to now is 10.0 secs Computing kpt #: 19 total cpu time spent up to now is 10.3 secs Computing kpt #: 20 total cpu time spent up to now is 10.6 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.3 secs Computing kpt #: 23 total cpu time spent up to now is 11.7 secs Computing kpt #: 24 total cpu time spent up to now is 12.0 secs Computing kpt #: 25 total cpu time spent up to now is 12.3 secs Computing kpt #: 26 total cpu time spent up to now is 12.7 secs Computing kpt #: 27 total cpu time spent up to now is 13.0 secs Computing kpt #: 28 total cpu time spent up to now is 13.3 secs Computing kpt #: 29 total cpu time spent up to now is 13.7 secs Computing kpt #: 30 total cpu time spent up to now is 14.0 secs Computing kpt #: 31 total cpu time spent up to now is 14.4 secs Computing kpt #: 32 total cpu time spent up to now is 14.7 secs Computing kpt #: 33 total cpu time spent up to now is 15.1 secs Computing kpt #: 34 total cpu time spent up to now is 15.4 secs Computing kpt #: 35 total cpu time spent up to now is 15.8 secs Computing kpt #: 36 total cpu time spent up to now is 16.1 secs Computing kpt #: 37 total cpu time spent up to now is 16.5 secs Computing kpt #: 38 total cpu time spent up to now is 16.9 secs Computing kpt #: 39 total cpu time spent up to now is 17.2 secs Computing kpt #: 40 total cpu time spent up to now is 17.6 secs Computing kpt #: 41 total cpu time spent up to now is 18.0 secs Computing kpt #: 42 total cpu time spent up to now is 18.4 secs Computing kpt #: 43 total cpu time spent up to now is 18.8 secs Computing kpt #: 44 total cpu time spent up to now is 19.3 secs Computing kpt #: 45 total cpu time spent up to now is 19.7 secs Computing kpt #: 46 total cpu time spent up to now is 20.1 secs Computing kpt #: 47 total cpu time spent up to now is 20.6 secs Computing kpt #: 48 total cpu time spent up to now is 21.0 secs Computing kpt #: 49 total cpu time spent up to now is 21.4 secs Computing kpt #: 50 total cpu time spent up to now is 21.9 secs Computing kpt #: 51 total cpu time spent up to now is 22.3 secs Computing kpt #: 52 total cpu time spent up to now is 22.7 secs Computing kpt #: 53 total cpu time spent up to now is 23.2 secs Computing kpt #: 54 total cpu time spent up to now is 23.6 secs Computing kpt #: 55 total cpu time spent up to now is 23.9 secs Computing kpt #: 56 total cpu time spent up to now is 24.3 secs Computing kpt #: 57 total cpu time spent up to now is 24.7 secs Computing kpt #: 58 total cpu time spent up to now is 25.0 secs Computing kpt #: 59 total cpu time spent up to now is 25.4 secs Computing kpt #: 60 total cpu time spent up to now is 25.7 secs Computing kpt #: 61 total cpu time spent up to now is 26.1 secs Computing kpt #: 62 total cpu time spent up to now is 26.4 secs Computing kpt #: 63 total cpu time spent up to now is 26.8 secs Computing kpt #: 64 total cpu time spent up to now is 27.2 secs Computing kpt #: 65 total cpu time spent up to now is 27.5 secs Computing kpt #: 66 total cpu time spent up to now is 27.9 secs Computing kpt #: 67 total cpu time spent up to now is 28.4 secs Computing kpt #: 68 total cpu time spent up to now is 28.8 secs Computing kpt #: 69 total cpu time spent up to now is 29.2 secs Computing kpt #: 70 total cpu time spent up to now is 29.6 secs Computing kpt #: 71 total cpu time spent up to now is 30.0 secs Computing kpt #: 72 total cpu time spent up to now is 30.4 secs Computing kpt #: 73 total cpu time spent up to now is 30.7 secs Computing kpt #: 74 total cpu time spent up to now is 31.1 secs Computing kpt #: 75 total cpu time spent up to now is 31.4 secs Computing kpt #: 76 total cpu time spent up to now is 31.8 secs Computing kpt #: 77 total cpu time spent up to now is 32.1 secs Computing kpt #: 78 total cpu time spent up to now is 32.5 secs Computing kpt #: 79 total cpu time spent up to now is 32.8 secs Computing kpt #: 80 total cpu time spent up to now is 33.2 secs Computing kpt #: 81 total cpu time spent up to now is 33.5 secs Computing kpt #: 82 total cpu time spent up to now is 33.9 secs Computing kpt #: 83 total cpu time spent up to now is 34.3 secs Computing kpt #: 84 total cpu time spent up to now is 34.7 secs Computing kpt #: 85 total cpu time spent up to now is 35.1 secs Computing kpt #: 86 total cpu time spent up to now is 35.4 secs Computing kpt #: 87 total cpu time spent up to now is 35.8 secs Computing kpt #: 88 total cpu time spent up to now is 36.2 secs Computing kpt #: 89 total cpu time spent up to now is 36.5 secs Computing kpt #: 90 total cpu time spent up to now is 36.9 secs Computing kpt #: 91 total cpu time spent up to now is 37.2 secs Computing kpt #: 92 total cpu time spent up to now is 37.5 secs Computing kpt #: 93 total cpu time spent up to now is 37.8 secs Computing kpt #: 94 total cpu time spent up to now is 38.2 secs Computing kpt #: 95 total cpu time spent up to now is 38.5 secs Computing kpt #: 96 total cpu time spent up to now is 38.8 secs Computing kpt #: 97 total cpu time spent up to now is 39.1 secs Computing kpt #: 98 total cpu time spent up to now is 39.4 secs Computing kpt #: 99 total cpu time spent up to now is 39.8 secs Computing kpt #: 100 total cpu time spent up to now is 40.1 secs Computing kpt #: 101 total cpu time spent up to now is 40.4 secs Computing kpt #: 102 total cpu time spent up to now is 40.8 secs Computing kpt #: 103 total cpu time spent up to now is 41.1 secs Computing kpt #: 104 total cpu time spent up to now is 41.5 secs Computing kpt #: 105 total cpu time spent up to now is 41.8 secs Computing kpt #: 106 total cpu time spent up to now is 42.2 secs Computing kpt #: 107 total cpu time spent up to now is 42.6 secs Computing kpt #: 108 total cpu time spent up to now is 42.9 secs Computing kpt #: 109 total cpu time spent up to now is 43.3 secs Computing kpt #: 110 total cpu time spent up to now is 43.7 secs Computing kpt #: 111 total cpu time spent up to now is 44.1 secs Computing kpt #: 112 total cpu time spent up to now is 44.6 secs Computing kpt #: 113 total cpu time spent up to now is 44.9 secs Computing kpt #: 114 total cpu time spent up to now is 45.3 secs Computing kpt #: 115 total cpu time spent up to now is 45.7 secs Computing kpt #: 116 total cpu time spent up to now is 46.1 secs Computing kpt #: 117 total cpu time spent up to now is 46.5 secs Computing kpt #: 118 total cpu time spent up to now is 46.8 secs Computing kpt #: 119 total cpu time spent up to now is 47.2 secs Computing kpt #: 120 total cpu time spent up to now is 47.6 secs Computing kpt #: 121 total cpu time spent up to now is 48.0 secs Computing kpt #: 122 total cpu time spent up to now is 48.3 secs Computing kpt #: 123 total cpu time spent up to now is 48.7 secs Computing kpt #: 124 total cpu time spent up to now is 49.1 secs Computing kpt #: 125 total cpu time spent up to now is 49.6 secs Computing kpt #: 126 total cpu time spent up to now is 50.1 secs Computing kpt #: 127 total cpu time spent up to now is 50.5 secs Computing kpt #: 128 total cpu time spent up to now is 51.0 secs Computing kpt #: 129 total cpu time spent up to now is 51.5 secs Computing kpt #: 130 total cpu time spent up to now is 52.0 secs Computing kpt #: 131 total cpu time spent up to now is 52.6 secs Computing kpt #: 132 total cpu time spent up to now is 53.1 secs Computing kpt #: 133 total cpu time spent up to now is 53.7 secs Computing kpt #: 134 total cpu time spent up to now is 54.3 secs Computing kpt #: 135 total cpu time spent up to now is 54.8 secs Computing kpt #: 136 total cpu time spent up to now is 55.4 secs Computing kpt #: 137 total cpu time spent up to now is 56.0 secs Computing kpt #: 138 total cpu time spent up to now is 56.6 secs Computing kpt #: 139 total cpu time spent up to now is 57.1 secs Computing kpt #: 140 total cpu time spent up to now is 57.6 secs Computing kpt #: 141 total cpu time spent up to now is 58.1 secs Computing kpt #: 142 total cpu time spent up to now is 58.4 secs Computing kpt #: 143 total cpu time spent up to now is 58.9 secs Computing kpt #: 144 total cpu time spent up to now is 59.2 secs Computing kpt #: 145 total cpu time spent up to now is 59.6 secs Computing kpt #: 146 total cpu time spent up to now is 59.9 secs Computing kpt #: 147 total cpu time spent up to now is 60.3 secs Computing kpt #: 148 total cpu time spent up to now is 60.6 secs Computing kpt #: 149 total cpu time spent up to now is 61.0 secs Computing kpt #: 150 total cpu time spent up to now is 61.3 secs Computing kpt #: 151 total cpu time spent up to now is 61.7 secs Computing kpt #: 152 total cpu time spent up to now is 62.1 secs Computing kpt #: 153 total cpu time spent up to now is 62.4 secs Computing kpt #: 154 total cpu time spent up to now is 62.7 secs Computing kpt #: 155 total cpu time spent up to now is 63.1 secs Computing kpt #: 156 total cpu time spent up to now is 63.5 secs Computing kpt #: 157 total cpu time spent up to now is 63.8 secs Computing kpt #: 158 total cpu time spent up to now is 64.1 secs Computing kpt #: 159 total cpu time spent up to now is 64.5 secs Computing kpt #: 160 total cpu time spent up to now is 64.8 secs Computing kpt #: 161 total cpu time spent up to now is 65.1 secs Computing kpt #: 162 total cpu time spent up to now is 65.5 secs Computing kpt #: 163 total cpu time spent up to now is 65.8 secs Computing kpt #: 164 total cpu time spent up to now is 66.1 secs Computing kpt #: 165 total cpu time spent up to now is 66.4 secs Computing kpt #: 166 total cpu time spent up to now is 66.8 secs Computing kpt #: 167 total cpu time spent up to now is 67.1 secs Computing kpt #: 168 total cpu time spent up to now is 67.4 secs Computing kpt #: 169 total cpu time spent up to now is 67.8 secs Computing kpt #: 170 total cpu time spent up to now is 68.1 secs Computing kpt #: 171 total cpu time spent up to now is 68.5 secs Computing kpt #: 172 total cpu time spent up to now is 68.8 secs Computing kpt #: 173 total cpu time spent up to now is 69.1 secs Computing kpt #: 174 total cpu time spent up to now is 69.4 secs Computing kpt #: 175 total cpu time spent up to now is 69.8 secs Computing kpt #: 176 total cpu time spent up to now is 70.1 secs Computing kpt #: 177 total cpu time spent up to now is 70.4 secs Computing kpt #: 178 total cpu time spent up to now is 70.7 secs Computing kpt #: 179 total cpu time spent up to now is 71.0 secs Computing kpt #: 180 total cpu time spent up to now is 71.3 secs Computing kpt #: 181 total cpu time spent up to now is 71.6 secs Computing kpt #: 182 total cpu time spent up to now is 71.9 secs Computing kpt #: 183 total cpu time spent up to now is 72.2 secs Computing kpt #: 184 total cpu time spent up to now is 72.6 secs Computing kpt #: 185 total cpu time spent up to now is 72.9 secs Computing kpt #: 186 total cpu time spent up to now is 73.2 secs Computing kpt #: 187 total cpu time spent up to now is 73.4 secs Computing kpt #: 188 total cpu time spent up to now is 73.7 secs Computing kpt #: 189 total cpu time spent up to now is 74.0 secs Computing kpt #: 190 total cpu time spent up to now is 74.3 secs Computing kpt #: 191 total cpu time spent up to now is 74.6 secs Computing kpt #: 192 total cpu time spent up to now is 74.9 secs Computing kpt #: 193 total cpu time spent up to now is 75.2 secs Computing kpt #: 194 total cpu time spent up to now is 75.5 secs Computing kpt #: 195 total cpu time spent up to now is 75.8 secs Computing kpt #: 196 total cpu time spent up to now is 76.1 secs Computing kpt #: 197 total cpu time spent up to now is 76.4 secs Computing kpt #: 198 total cpu time spent up to now is 76.7 secs Computing kpt #: 199 total cpu time spent up to now is 77.0 secs Computing kpt #: 200 total cpu time spent up to now is 77.3 secs Computing kpt #: 201 total cpu time spent up to now is 77.6 secs Computing kpt #: 202 total cpu time spent up to now is 77.9 secs Computing kpt #: 203 total cpu time spent up to now is 78.2 secs Computing kpt #: 204 total cpu time spent up to now is 78.5 secs Computing kpt #: 205 total cpu time spent up to now is 78.8 secs Computing kpt #: 206 total cpu time spent up to now is 79.1 secs Computing kpt #: 207 total cpu time spent up to now is 79.6 secs Computing kpt #: 208 total cpu time spent up to now is 79.9 secs Computing kpt #: 209 total cpu time spent up to now is 80.2 secs Computing kpt #: 210 total cpu time spent up to now is 80.6 secs Computing kpt #: 211 total cpu time spent up to now is 81.0 secs Computing kpt #: 212 total cpu time spent up to now is 81.3 secs Computing kpt #: 213 total cpu time spent up to now is 81.7 secs Computing kpt #: 214 total cpu time spent up to now is 82.1 secs Computing kpt #: 215 total cpu time spent up to now is 82.4 secs Computing kpt #: 216 total cpu time spent up to now is 82.8 secs Computing kpt #: 217 total cpu time spent up to now is 83.1 secs Computing kpt #: 218 total cpu time spent up to now is 83.5 secs Computing kpt #: 219 total cpu time spent up to now is 83.8 secs Computing kpt #: 220 total cpu time spent up to now is 84.1 secs Computing kpt #: 221 total cpu time spent up to now is 84.7 secs Computing kpt #: 222 total cpu time spent up to now is 85.0 secs Computing kpt #: 223 total cpu time spent up to now is 85.3 secs Computing kpt #: 224 total cpu time spent up to now is 85.6 secs Computing kpt #: 225 total cpu time spent up to now is 85.9 secs Computing kpt #: 226 total cpu time spent up to now is 86.2 secs Computing kpt #: 227 total cpu time spent up to now is 86.6 secs Computing kpt #: 228 total cpu time spent up to now is 86.9 secs Computing kpt #: 229 total cpu time spent up to now is 87.2 secs Computing kpt #: 230 total cpu time spent up to now is 87.6 secs Computing kpt #: 231 total cpu time spent up to now is 87.9 secs Computing kpt #: 232 total cpu time spent up to now is 88.3 secs Computing kpt #: 233 total cpu time spent up to now is 88.7 secs Computing kpt #: 234 total cpu time spent up to now is 89.1 secs Computing kpt #: 235 total cpu time spent up to now is 89.5 secs Computing kpt #: 236 total cpu time spent up to now is 89.8 secs Computing kpt #: 237 total cpu time spent up to now is 90.2 secs Computing kpt #: 238 total cpu time spent up to now is 90.6 secs Computing kpt #: 239 total cpu time spent up to now is 90.9 secs Computing kpt #: 240 total cpu time spent up to now is 91.3 secs Computing kpt #: 241 total cpu time spent up to now is 91.6 secs Computing kpt #: 242 total cpu time spent up to now is 91.9 secs Computing kpt #: 243 total cpu time spent up to now is 92.3 secs Computing kpt #: 244 total cpu time spent up to now is 92.6 secs Computing kpt #: 245 total cpu time spent up to now is 93.0 secs Computing kpt #: 246 total cpu time spent up to now is 93.3 secs Computing kpt #: 247 total cpu time spent up to now is 93.7 secs Computing kpt #: 248 total cpu time spent up to now is 94.0 secs Computing kpt #: 249 total cpu time spent up to now is 94.4 secs Computing kpt #: 250 total cpu time spent up to now is 94.8 secs Computing kpt #: 251 total cpu time spent up to now is 95.1 secs Computing kpt #: 252 total cpu time spent up to now is 95.5 secs Computing kpt #: 253 total cpu time spent up to now is 95.9 secs Computing kpt #: 254 total cpu time spent up to now is 96.3 secs Computing kpt #: 255 total cpu time spent up to now is 96.6 secs Computing kpt #: 256 total cpu time spent up to now is 97.0 secs Computing kpt #: 257 total cpu time spent up to now is 97.3 secs Computing kpt #: 258 total cpu time spent up to now is 97.7 secs Computing kpt #: 259 total cpu time spent up to now is 98.1 secs Computing kpt #: 260 total cpu time spent up to now is 98.4 secs Computing kpt #: 261 total cpu time spent up to now is 98.8 secs Computing kpt #: 262 total cpu time spent up to now is 99.1 secs Computing kpt #: 263 total cpu time spent up to now is 99.5 secs Computing kpt #: 264 total cpu time spent up to now is 99.8 secs Computing kpt #: 265 total cpu time spent up to now is 100.1 secs Computing kpt #: 266 total cpu time spent up to now is 100.4 secs Computing kpt #: 267 total cpu time spent up to now is 100.7 secs Computing kpt #: 268 total cpu time spent up to now is 101.0 secs Computing kpt #: 269 total cpu time spent up to now is 101.3 secs Computing kpt #: 270 total cpu time spent up to now is 101.6 secs Computing kpt #: 271 total cpu time spent up to now is 101.9 secs Computing kpt #: 272 total cpu time spent up to now is 102.2 secs Computing kpt #: 273 total cpu time spent up to now is 102.5 secs Computing kpt #: 274 total cpu time spent up to now is 102.8 secs Computing kpt #: 275 total cpu time spent up to now is 103.1 secs Computing kpt #: 276 total cpu time spent up to now is 103.4 secs Computing kpt #: 277 total cpu time spent up to now is 103.7 secs Computing kpt #: 278 total cpu time spent up to now is 104.0 secs Computing kpt #: 279 total cpu time spent up to now is 104.3 secs Computing kpt #: 280 total cpu time spent up to now is 104.6 secs Computing kpt #: 281 total cpu time spent up to now is 104.9 secs Computing kpt #: 282 total cpu time spent up to now is 105.2 secs Computing kpt #: 283 total cpu time spent up to now is 105.4 secs Computing kpt #: 284 total cpu time spent up to now is 105.7 secs Computing kpt #: 285 total cpu time spent up to now is 106.0 secs Computing kpt #: 286 total cpu time spent up to now is 106.3 secs Computing kpt #: 287 total cpu time spent up to now is 106.6 secs Computing kpt #: 288 total cpu time spent up to now is 106.9 secs Computing kpt #: 289 total cpu time spent up to now is 107.2 secs Computing kpt #: 290 total cpu time spent up to now is 107.5 secs Computing kpt #: 291 total cpu time spent up to now is 107.9 secs Computing kpt #: 292 total cpu time spent up to now is 108.2 secs Computing kpt #: 293 total cpu time spent up to now is 108.5 secs Computing kpt #: 294 total cpu time spent up to now is 108.9 secs Computing kpt #: 295 total cpu time spent up to now is 109.2 secs Computing kpt #: 296 total cpu time spent up to now is 109.6 secs Computing kpt #: 297 total cpu time spent up to now is 109.9 secs Computing kpt #: 298 total cpu time spent up to now is 110.3 secs Computing kpt #: 299 total cpu time spent up to now is 110.7 secs Computing kpt #: 300 total cpu time spent up to now is 111.0 secs Computing kpt #: 301 total cpu time spent up to now is 111.4 secs Computing kpt #: 302 total cpu time spent up to now is 111.7 secs Computing kpt #: 303 total cpu time spent up to now is 112.1 secs Computing kpt #: 304 total cpu time spent up to now is 112.4 secs Computing kpt #: 305 total cpu time spent up to now is 112.8 secs Computing kpt #: 306 total cpu time spent up to now is 113.1 secs Computing kpt #: 307 total cpu time spent up to now is 113.4 secs Computing kpt #: 308 total cpu time spent up to now is 113.8 secs Computing kpt #: 309 total cpu time spent up to now is 114.1 secs Computing kpt #: 310 total cpu time spent up to now is 114.5 secs Computing kpt #: 311 total cpu time spent up to now is 114.8 secs Computing kpt #: 312 total cpu time spent up to now is 115.2 secs Computing kpt #: 313 total cpu time spent up to now is 115.5 secs Computing kpt #: 314 total cpu time spent up to now is 115.8 secs Computing kpt #: 315 total cpu time spent up to now is 116.1 secs Computing kpt #: 316 total cpu time spent up to now is 116.5 secs Computing kpt #: 317 total cpu time spent up to now is 116.8 secs Computing kpt #: 318 total cpu time spent up to now is 117.1 secs Computing kpt #: 319 total cpu time spent up to now is 117.5 secs Computing kpt #: 320 total cpu time spent up to now is 117.8 secs Computing kpt #: 321 total cpu time spent up to now is 118.2 secs Computing kpt #: 322 total cpu time spent up to now is 118.5 secs Computing kpt #: 323 total cpu time spent up to now is 118.9 secs Computing kpt #: 324 total cpu time spent up to now is 119.3 secs Computing kpt #: 325 total cpu time spent up to now is 119.7 secs Computing kpt #: 326 total cpu time spent up to now is 120.1 secs Computing kpt #: 327 total cpu time spent up to now is 120.5 secs Computing kpt #: 328 total cpu time spent up to now is 121.0 secs ethr = 2.63E-08, avg # of iterations = 17.9 total cpu time spent up to now is 121.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -8.8436 -8.8436 -8.8436 -8.8436 -8.7862 -8.7862 -8.7862 -8.7862 -7.8571 -7.8571 -7.8381 -7.8381 -7.8381 -7.8381 -7.6941 -7.6941 -7.6664 -7.6664 -7.6664 -7.6664 1.6877 1.6877 7.9450 7.9450 7.9450 7.9450 8.3342 8.3342 9.9563 9.9563 9.9563 9.9563 10.7507 10.7507 15.2773 15.2773 16.0360 16.0360 16.0360 16.0360 16.0461 16.0461 16.7897 16.7897 16.7897 16.7897 k = 0.0102-0.0059 0.0083 ( 2461 PWs) bands (ev): -8.8436 -8.8436 -8.8435 -8.8435 -8.7862 -8.7862 -8.7862 -8.7862 -7.8571 -7.8571 -7.8381 -7.8381 -7.8381 -7.8381 -7.6942 -7.6942 -7.6666 -7.6666 -7.6664 -7.6664 1.6894 1.6894 7.9423 7.9423 7.9454 7.9454 8.3327 8.3327 9.9552 9.9552 9.9554 9.9554 10.7575 10.7575 15.2531 15.2531 16.0083 16.0083 16.0419 16.0419 16.0424 16.0424 16.7768 16.7768 16.8199 16.8199 k = 0.0204-0.0118 0.0167 ( 2481 PWs) bands (ev): -8.8436 -8.8436 -8.8432 -8.8432 -8.7863 -8.7863 -8.7862 -8.7862 -7.8569 -7.8569 -7.8381 -7.8381 -7.8378 -7.8378 -7.6943 -7.6943 -7.6671 -7.6671 -7.6664 -7.6664 1.6944 1.6944 7.9343 7.9343 7.9467 7.9467 8.3283 8.3283 9.9519 9.9519 9.9526 9.9526 10.7778 10.7778 15.1864 15.1864 15.9203 15.9203 16.0494 16.0494 16.0497 16.0497 16.7462 16.7462 16.8968 16.8968 k = 0.0306-0.0177 0.0250 ( 2485 PWs) bands (ev): -8.8435 -8.8435 -8.8428 -8.8428 -8.7864 -8.7864 -8.7862 -8.7862 -7.8567 -7.8567 -7.8381 -7.8381 -7.8374 -7.8374 -7.6945 -7.6945 -7.6679 -7.6679 -7.6664 -7.6664 1.7027 1.7027 7.9205 7.9205 7.9488 7.9488 8.3218 8.3218 9.9471 9.9471 9.9479 9.9479 10.8106 10.8106 15.0888 15.0888 15.8000 15.8000 16.0366 16.0366 16.0619 16.0619 16.7180 16.7180 16.9964 16.9964 k = 0.0408-0.0236 0.0333 ( 2509 PWs) bands (ev): -8.8435 -8.8435 -8.8422 -8.8422 -8.7865 -8.7865 -8.7862 -8.7862 -7.8564 -7.8564 -7.8381 -7.8381 -7.8369 -7.8369 -7.6948 -7.6948 -7.6690 -7.6690 -7.6664 -7.6664 1.7143 1.7143 7.9005 7.9005 7.9518 7.9518 8.3143 8.3143 9.9411 9.9411 9.9414 9.9414 10.8547 10.8547 14.9709 14.9709 15.6626 15.6626 15.9822 15.9822 16.0794 16.0794 16.7121 16.7121 17.1012 17.1012 k = 0.0510-0.0295 0.0417 ( 2517 PWs) bands (ev): -8.8435 -8.8435 -8.8415 -8.8415 -8.7867 -8.7867 -8.7862 -8.7862 -7.8559 -7.8559 -7.8381 -7.8381 -7.8362 -7.8362 -7.6951 -7.6951 -7.6705 -7.6705 -7.6665 -7.6665 1.7292 1.7292 7.8740 7.8740 7.9556 7.9556 8.3068 8.3068 9.9331 9.9331 9.9346 9.9346 10.9086 10.9086 14.8397 14.8397 15.5163 15.5163 15.8823 15.8823 16.1022 16.1022 16.7336 16.7336 17.2016 17.2016 k = 0.0612-0.0353 0.0500 ( 2517 PWs) bands (ev): -8.8435 -8.8435 -8.8406 -8.8406 -8.7869 -8.7869 -8.7862 -8.7862 -7.8554 -7.8554 -7.8380 -7.8380 -7.8353 -7.8353 -7.6956 -7.6956 -7.6723 -7.6723 -7.6665 -7.6665 1.7474 1.7474 7.8409 7.8409 7.9604 7.9604 8.3004 8.3004 9.9228 9.9228 9.9282 9.9282 10.9708 10.9708 14.6996 14.6996 15.3650 15.3650 15.7467 15.7467 16.1303 16.1303 16.7746 16.7746 17.2561 17.2561 k = 0.0714-0.0412 0.0583 ( 2517 PWs) bands (ev): -8.8434 -8.8434 -8.8395 -8.8395 -8.7871 -8.7871 -8.7862 -8.7862 -7.8548 -7.8548 -7.8380 -7.8380 -7.8343 -7.8343 -7.6961 -7.6961 -7.6744 -7.6744 -7.6665 -7.6665 1.7690 1.7690 7.8012 7.8012 7.9660 7.9660 8.2959 8.2959 9.9107 9.9107 9.9221 9.9221 11.0399 11.0399 14.5534 14.5534 15.2112 15.2112 15.5870 15.5870 16.1637 16.1637 16.8255 16.8255 17.1960 17.1960 k = 0.0816-0.0471 0.0667 ( 2517 PWs) bands (ev): -8.8434 -8.8434 -8.8383 -8.8383 -8.7874 -8.7874 -8.7862 -8.7862 -7.8540 -7.8540 -7.8380 -7.8380 -7.8331 -7.8331 -7.6967 -7.6967 -7.6768 -7.6768 -7.6666 -7.6666 1.7938 1.7938 7.7554 7.7554 7.9724 7.9724 8.2937 8.2937 9.8968 9.8968 9.9166 9.9166 11.1146 11.1146 14.4026 14.4026 15.0562 15.0562 15.4120 15.4120 16.2026 16.2026 16.8797 16.8797 17.1290 17.1290 k = 0.0918-0.0530 0.0750 ( 2525 PWs) bands (ev): -8.8433 -8.8433 -8.8370 -8.8370 -8.7877 -8.7877 -8.7861 -8.7861 -7.8532 -7.8532 -7.8379 -7.8379 -7.8318 -7.8318 -7.6974 -7.6974 -7.6794 -7.6794 -7.6666 -7.6666 1.8220 1.8220 7.7043 7.7043 7.9798 7.9798 8.2940 8.2940 9.8809 9.8809 9.9119 9.9119 11.1937 11.1937 14.2482 14.2482 14.9008 14.9008 15.2271 15.2271 16.2472 16.2472 16.9300 16.9300 17.0633 17.0633 k = 0.1020-0.0589 0.0833 ( 2525 PWs) bands (ev): -8.8433 -8.8433 -8.8355 -8.8355 -8.7881 -8.7881 -8.7861 -8.7861 -7.8524 -7.8524 -7.8379 -7.8379 -7.8303 -7.8303 -7.6981 -7.6981 -7.6823 -7.6823 -7.6666 -7.6666 1.8534 1.8534 7.6486 7.6486 7.9880 7.9880 8.2967 8.2967 9.8631 9.8631 9.9079 9.9079 11.2761 11.2761 14.0910 14.0910 14.7456 14.7456 15.0361 15.0361 16.2975 16.2975 16.9395 16.9395 17.0373 17.0373 k = 0.1122-0.0648 0.0916 ( 2525 PWs) bands (ev): -8.8432 -8.8432 -8.8340 -8.8340 -8.7885 -8.7885 -8.7861 -8.7861 -7.8514 -7.8514 -7.8379 -7.8379 -7.8287 -7.8287 -7.6989 -7.6989 -7.6855 -7.6855 -7.6667 -7.6667 1.8882 1.8882 7.5893 7.5893 7.9972 7.9972 8.3018 8.3018 9.8433 9.8433 9.9047 9.9047 11.3609 11.3609 13.9313 13.9313 14.5911 14.5911 14.8416 14.8416 16.3539 16.3539 16.8805 16.8805 17.0805 17.0805 k = 0.1224-0.0707 0.1000 ( 2533 PWs) bands (ev): -8.8432 -8.8432 -8.8323 -8.8323 -8.7890 -8.7890 -8.7861 -8.7861 -7.8504 -7.8504 -7.8378 -7.8378 -7.8269 -7.8269 -7.6997 -7.6997 -7.6889 -7.6889 -7.6667 -7.6667 1.9262 1.9262 7.5271 7.5271 8.0072 8.0072 8.3092 8.3092 9.8216 9.8216 9.9023 9.9023 11.4471 11.4471 13.7691 13.7691 14.4376 14.4376 14.6458 14.6458 16.4163 16.4163 16.8079 16.8079 17.1396 17.1396 k = 0.1327-0.0766 0.1083 ( 2541 PWs) bands (ev): -8.8431 -8.8431 -8.8305 -8.8305 -8.7896 -8.7896 -8.7861 -8.7861 -7.8493 -7.8493 -7.8378 -7.8378 -7.8250 -7.8250 -7.7006 -7.7006 -7.6925 -7.6925 -7.6668 -7.6668 1.9675 1.9675 7.4628 7.4628 8.0181 8.0181 8.3186 8.3186 9.7979 9.7979 9.9006 9.9006 11.5340 11.5340 13.6047 13.6047 14.2853 14.2853 14.4501 14.4501 16.4850 16.4850 16.7342 16.7342 17.2030 17.2030 k = 0.1429-0.0825 0.1166 ( 2541 PWs) bands (ev): -8.8430 -8.8430 -8.8287 -8.8287 -8.7901 -8.7901 -8.7861 -8.7861 -7.8481 -7.8481 -7.8378 -7.8378 -7.8229 -7.8229 -7.7016 -7.7016 -7.6962 -7.6962 -7.6668 -7.6668 2.0121 2.0121 7.3971 7.3971 8.0300 8.0300 8.3299 8.3299 9.7721 9.7721 9.8995 9.8995 11.6209 11.6209 13.4378 13.4378 14.1344 14.1344 14.2562 14.2562 16.5601 16.5601 16.6617 16.6617 17.2695 17.2695 k = 0.1531-0.0884 0.1250 ( 2537 PWs) bands (ev): -8.8430 -8.8430 -8.8268 -8.8268 -8.7908 -8.7908 -8.7861 -8.7861 -7.8469 -7.8469 -7.8377 -7.8377 -7.8207 -7.8207 -7.7026 -7.7026 -7.7002 -7.7002 -7.6668 -7.6668 2.0600 2.0600 7.3304 7.3304 8.0427 8.0427 8.3431 8.3431 9.7442 9.7442 9.8990 9.8990 11.7070 11.7070 13.2685 13.2685 13.9852 13.9852 14.0651 14.0651 16.5915 16.5915 16.6417 16.6417 17.3389 17.3389 k = 0.1633-0.0943 0.1333 ( 2525 PWs) bands (ev): -8.8429 -8.8429 -8.8248 -8.8248 -8.7915 -8.7915 -8.7861 -8.7861 -7.8456 -7.8456 -7.8377 -7.8377 -7.8184 -7.8184 -7.7044 -7.7044 -7.7034 -7.7034 -7.6668 -7.6668 2.1111 2.1111 7.2634 7.2634 8.0563 8.0563 8.3581 8.3581 9.7141 9.7141 9.8991 9.8991 11.7918 11.7918 13.0969 13.0969 13.8378 13.8378 13.8779 13.8779 16.5240 16.5240 16.7300 16.7300 17.4111 17.4111 k = 0.1735-0.1002 0.1416 ( 2517 PWs) bands (ev): -8.8428 -8.8428 -8.8228 -8.8228 -8.7922 -8.7922 -8.7861 -8.7861 -7.8443 -7.8443 -7.8377 -7.8377 -7.8160 -7.8160 -7.7086 -7.7086 -7.7046 -7.7046 -7.6668 -7.6668 2.1655 2.1655 7.1963 7.1963 8.0707 8.0707 8.3748 8.3748 9.6817 9.6817 9.8996 9.8996 11.8746 11.8746 12.9229 12.9229 13.6924 13.6924 13.6954 13.6954 16.4595 16.4595 16.8250 16.8250 17.4862 17.4862 k = 0.1837-0.1060 0.1500 ( 2517 PWs) bands (ev): -8.8427 -8.8427 -8.8207 -8.8207 -8.7930 -8.7930 -8.7861 -8.7861 -7.8430 -7.8430 -7.8377 -7.8377 -7.8134 -7.8134 -7.7129 -7.7129 -7.7056 -7.7056 -7.6668 -7.6668 2.2230 2.2230 7.1296 7.1296 8.0860 8.0860 8.3931 8.3931 9.6468 9.6468 9.9006 9.9006 11.9550 11.9550 12.7470 12.7470 13.5182 13.5182 13.5493 13.5493 16.3981 16.3981 16.9268 16.9268 17.5643 17.5643 k = 0.1939-0.1119 0.1583 ( 2517 PWs) bands (ev): -8.8427 -8.8427 -8.8186 -8.8186 -8.7939 -8.7939 -8.7861 -8.7861 -7.8416 -7.8416 -7.8377 -7.8377 -7.8107 -7.8107 -7.7173 -7.7173 -7.7067 -7.7067 -7.6668 -7.6668 2.2838 2.2838 7.0636 7.0636 8.1020 8.1020 8.4131 8.4131 9.6093 9.6093 9.9019 9.9019 12.0322 12.0322 12.5697 12.5697 13.3465 13.3465 13.4088 13.4088 16.3400 16.3400 17.0353 17.0353 17.6455 17.6455 k = 0.2041-0.1178 0.1666 ( 2517 PWs) bands (ev): -8.8426 -8.8426 -8.8165 -8.8165 -8.7948 -8.7948 -8.7861 -8.7861 -7.8402 -7.8402 -7.8378 -7.8378 -7.8080 -7.8080 -7.7218 -7.7218 -7.7078 -7.7078 -7.6668 -7.6668 2.3478 2.3478 6.9985 6.9985 8.1187 8.1187 8.4347 8.4347 9.5690 9.5690 9.9036 9.9036 12.1057 12.1057 12.3916 12.3916 13.1805 13.1805 13.2713 13.2713 16.2853 16.2853 17.1506 17.1506 17.7296 17.7296 k = 0.2143-0.1237 0.1750 ( 2509 PWs) bands (ev): -8.8425 -8.8425 -8.8144 -8.8144 -8.7958 -8.7958 -8.7861 -8.7861 -7.8387 -7.8387 -7.8378 -7.8378 -7.8051 -7.8051 -7.7263 -7.7263 -7.7090 -7.7090 -7.6668 -7.6668 2.4150 2.4150 6.9346 6.9346 8.1360 8.1360 8.4578 8.4578 9.5257 9.5257 9.9055 9.9055 12.1743 12.1743 12.2137 12.2137 13.0201 13.0201 13.1376 13.1376 16.2338 16.2338 17.2726 17.2726 17.8167 17.8167 k = 0.2245-0.1296 0.1833 ( 2509 PWs) bands (ev): -8.8424 -8.8424 -8.8124 -8.8124 -8.7968 -8.7968 -8.7861 -8.7861 -7.8379 -7.8379 -7.8373 -7.8373 -7.8021 -7.8021 -7.7309 -7.7309 -7.7101 -7.7101 -7.6667 -7.6667 2.4853 2.4853 6.8721 6.8721 8.1538 8.1538 8.4825 8.4825 9.4791 9.4791 9.9078 9.9078 12.0371 12.0371 12.2365 12.2365 12.8650 12.8650 13.0093 13.0093 16.1856 16.1856 17.4011 17.4011 17.9068 17.9068 k = 0.2347-0.1355 0.1916 ( 2509 PWs) bands (ev): -8.8424 -8.8424 -8.8103 -8.8103 -8.7979 -8.7979 -8.7861 -8.7861 -7.8379 -7.8379 -7.8358 -7.8358 -7.7991 -7.7991 -7.7354 -7.7354 -7.7112 -7.7112 -7.6667 -7.6667 2.5588 2.5588 6.8110 6.8110 8.1719 8.1719 8.5088 8.5088 9.4290 9.4290 9.9103 9.9103 11.8629 11.8629 12.2893 12.2893 12.7150 12.7150 12.8892 12.8892 16.1406 16.1406 17.5361 17.5361 17.9997 17.9997 k = 0.2449-0.1414 0.2000 ( 2525 PWs) bands (ev): -8.8423 -8.8423 -8.8082 -8.8082 -8.7990 -8.7990 -8.7861 -8.7861 -7.8380 -7.8380 -7.8344 -7.8344 -7.7960 -7.7960 -7.7399 -7.7399 -7.7123 -7.7123 -7.6666 -7.6666 2.6353 2.6353 6.7516 6.7516 8.1900 8.1900 8.5367 8.5367 9.3752 9.3752 9.9129 9.9129 11.6924 11.6924 12.3259 12.3259 12.5699 12.5699 12.7840 12.7840 16.0987 16.0987 17.6772 17.6772 18.0955 18.0955 k = 0.2551-0.1473 0.2083 ( 2525 PWs) bands (ev): -8.8422 -8.8422 -8.8062 -8.8062 -8.8002 -8.8002 -8.7862 -8.7862 -7.8381 -7.8381 -7.8329 -7.8329 -7.7929 -7.7929 -7.7444 -7.7444 -7.7134 -7.7134 -7.6665 -7.6665 2.7149 2.7149 6.6940 6.6940 8.2078 8.2078 8.5662 8.5662 9.3173 9.3173 9.9158 9.9158 11.5268 11.5268 12.3325 12.3325 12.4292 12.4292 12.7077 12.7077 16.0598 16.0598 17.8242 17.8242 18.1939 18.1939 k = 0.2653-0.1532 0.2166 ( 2501 PWs) bands (ev): -8.8422 -8.8422 -8.8043 -8.8043 -8.8014 -8.8014 -8.7862 -8.7862 -7.8382 -7.8382 -7.8315 -7.8315 -7.7897 -7.7897 -7.7488 -7.7488 -7.7144 -7.7144 -7.6664 -7.6664 2.7975 2.7975 6.6383 6.6383 8.2247 8.2247 8.5972 8.5972 9.2554 9.2554 9.9188 9.9188 11.3674 11.3674 12.2927 12.2927 12.2933 12.2933 12.6757 12.6757 16.0239 16.0239 17.9768 17.9768 18.2950 18.2950 k = 0.2755-0.1591 0.2250 ( 2501 PWs) bands (ev): -8.8421 -8.8421 -8.8027 -8.8027 -8.8024 -8.8024 -8.7862 -8.7862 -7.8383 -7.8383 -7.8300 -7.8300 -7.7865 -7.7865 -7.7532 -7.7532 -7.7155 -7.7155 -7.6663 -7.6663 2.8831 2.8831 6.5845 6.5845 8.2400 8.2400 8.6298 8.6298 9.1897 9.1897 9.9220 9.9220 11.2155 11.2155 12.1603 12.1603 12.2139 12.2139 12.6829 12.6829 15.9908 15.9908 18.1346 18.1346 18.3984 18.3984 k = 0.2857-0.1650 0.2333 ( 2501 PWs) bands (ev): -8.8420 -8.8420 -8.8039 -8.8039 -8.8006 -8.8006 -8.7862 -8.7862 -7.8385 -7.8385 -7.8286 -7.8286 -7.7833 -7.7833 -7.7574 -7.7574 -7.7165 -7.7165 -7.6662 -7.6662 2.9715 2.9715 6.5328 6.5328 8.2523 8.2523 8.6640 8.6640 9.1207 9.1207 9.9253 9.9253 11.0721 11.0721 12.0316 12.0316 12.1134 12.1134 12.7100 12.7100 15.9603 15.9603 18.2972 18.2972 18.5040 18.5040 k = 0.2959-0.1708 0.2416 ( 2501 PWs) bands (ev): -8.8420 -8.8420 -8.8052 -8.8052 -8.7988 -8.7988 -8.7862 -8.7862 -7.8386 -7.8386 -7.8273 -7.8273 -7.7801 -7.7801 -7.7615 -7.7615 -7.7175 -7.7175 -7.6660 -7.6660 3.0628 3.0628 6.4832 6.4832 8.2598 8.2598 8.6997 8.6997 9.0499 9.0499 9.9287 9.9287 10.9382 10.9382 11.9067 11.9067 12.0043 12.0043 12.7447 12.7447 15.9324 15.9324 18.4642 18.4642 18.6117 18.6117 k = 0.3061-0.1767 0.2499 ( 2493 PWs) bands (ev): -8.8419 -8.8419 -8.8065 -8.8065 -8.7971 -8.7971 -8.7863 -8.7863 -7.8388 -7.8388 -7.8259 -7.8259 -7.7769 -7.7769 -7.7656 -7.7656 -7.7184 -7.7184 -7.6659 -7.6659 3.1568 3.1568 6.4358 6.4358 8.2599 8.2599 8.7370 8.7370 8.9799 8.9799 9.9322 9.9322 10.8145 10.8145 11.7852 11.7852 11.8922 11.8922 12.7816 12.7816 15.9069 15.9069 18.6349 18.6349 18.7213 18.7213 k = 0.3163-0.1826 0.2583 ( 2493 PWs) bands (ev): -8.8419 -8.8419 -8.8079 -8.8079 -8.7955 -8.7955 -8.7863 -8.7863 -7.8389 -7.8389 -7.8247 -7.8247 -7.7738 -7.7738 -7.7694 -7.7694 -7.7194 -7.7194 -7.6657 -7.6657 3.2534 3.2534 6.3906 6.3906 8.2484 8.2484 8.7757 8.7757 8.9144 8.9144 9.9358 9.9358 10.7016 10.7016 11.6672 11.6672 11.7795 11.7795 12.8182 12.8182 15.8837 15.8837 18.8089 18.8089 18.8324 18.8324 k = 0.3265-0.1885 0.2666 ( 2494 PWs) bands (ev): -8.8418 -8.8418 -8.8092 -8.8092 -8.7940 -8.7940 -8.7863 -8.7863 -7.8391 -7.8391 -7.8234 -7.8234 -7.7732 -7.7732 -7.7707 -7.7707 -7.7202 -7.7202 -7.6655 -7.6655 3.3526 3.3526 6.3477 6.3477 8.2204 8.2204 8.8160 8.8160 8.8587 8.8587 9.9396 9.9396 10.5994 10.5994 11.5527 11.5527 11.6674 11.6674 12.8536 12.8536 15.8626 15.8626 18.9447 18.9447 18.9854 18.9854 k = 0.3367-0.1944 0.2749 ( 2494 PWs) bands (ev): -8.8418 -8.8418 -8.8105 -8.8105 -8.7925 -8.7925 -8.7862 -8.7862 -7.8393 -7.8393 -7.8222 -7.8222 -7.7767 -7.7767 -7.7677 -7.7677 -7.7211 -7.7211 -7.6653 -7.6653 3.4542 3.4542 6.3071 6.3071 8.1718 8.1718 8.8176 8.8176 8.8577 8.8577 9.9434 9.9434 10.5081 10.5081 11.4415 11.4415 11.5567 11.5567 12.8872 12.8872 15.8435 15.8435 19.0580 19.0580 19.1638 19.1638 k = 0.3469-0.2003 0.2833 ( 2494 PWs) bands (ev): -8.8417 -8.8417 -8.8118 -8.8118 -8.7912 -8.7912 -8.7862 -8.7862 -7.8395 -7.8395 -7.8211 -7.8211 -7.7801 -7.7801 -7.7647 -7.7647 -7.7218 -7.7218 -7.6652 -7.6652 3.5580 3.5580 6.2688 6.2688 8.1009 8.1009 8.7933 8.7933 8.9008 8.9008 9.9474 9.9474 10.4271 10.4271 11.3337 11.3337 11.4478 11.4478 12.9187 12.9187 15.8264 15.8264 19.1719 19.1719 19.3432 19.3432 k = 0.3571-0.2062 0.2916 ( 2482 PWs) bands (ev): -8.8417 -8.8417 -8.8130 -8.8130 -8.7900 -8.7900 -8.7861 -8.7861 -7.8397 -7.8397 -7.8200 -7.8200 -7.7833 -7.7833 -7.7619 -7.7619 -7.7226 -7.7226 -7.6650 -7.6650 3.6638 3.6638 6.2330 6.2330 8.0100 8.0100 8.7845 8.7845 8.9452 8.9452 9.9516 9.9516 10.3560 10.3560 11.2293 11.2293 11.3410 11.3410 12.9479 12.9479 15.8110 15.8110 19.2858 19.2858 19.5227 19.5227 k = 0.3673-0.2121 0.2999 ( 2482 PWs) bands (ev): -8.8416 -8.8416 -8.8143 -8.8143 -8.7890 -8.7890 -8.7859 -8.7859 -7.8398 -7.8398 -7.8190 -7.8190 -7.7863 -7.7863 -7.7592 -7.7592 -7.7233 -7.7233 -7.6648 -7.6648 3.7713 3.7713 6.1995 6.1995 7.9031 7.9031 8.7880 8.7880 8.9908 8.9908 9.9559 9.9559 10.2943 10.2943 11.1284 11.1284 11.2364 11.2364 12.9750 12.9750 15.7972 15.7972 19.3993 19.3993 19.7013 19.7013 k = 0.3776-0.2180 0.3083 ( 2486 PWs) bands (ev): -8.8416 -8.8416 -8.8155 -8.8155 -8.7883 -8.7883 -8.7856 -8.7856 -7.8400 -7.8400 -7.8180 -7.8180 -7.7891 -7.7891 -7.7566 -7.7566 -7.7239 -7.7239 -7.6646 -7.6646 3.8802 3.8802 6.1684 6.1684 7.7849 7.7849 8.8003 8.8003 9.0374 9.0374 9.9606 9.9606 10.2412 10.2412 11.0311 11.0311 11.1343 11.1343 12.9998 12.9998 15.7850 15.7850 19.5117 19.5117 19.8778 19.8778 k = 0.3878-0.2239 0.3166 ( 2494 PWs) bands (ev): -8.8416 -8.8416 -8.8166 -8.8166 -8.7878 -8.7878 -8.7851 -8.7851 -7.8402 -7.8402 -7.8171 -7.8171 -7.7918 -7.7918 -7.7541 -7.7541 -7.7245 -7.7245 -7.6644 -7.6644 3.9902 3.9902 6.1397 6.1397 7.6593 7.6593 8.8184 8.8184 9.0848 9.0848 9.9657 9.9657 10.1961 10.1961 10.9375 10.9375 11.0349 11.0349 13.0225 13.0225 15.7741 15.7741 19.6224 19.6224 20.0510 20.0510 k = 0.3980-0.2298 0.3249 ( 2498 PWs) bands (ev): -8.8415 -8.8415 -8.8176 -8.8176 -8.7875 -8.7875 -8.7845 -8.7845 -7.8404 -7.8404 -7.8163 -7.8163 -7.7942 -7.7942 -7.7519 -7.7519 -7.7250 -7.7250 -7.6642 -7.6642 4.1006 4.1006 6.1136 6.1136 7.5294 7.5294 8.8403 8.8403 9.1328 9.1328 9.9713 9.9713 10.1587 10.1587 10.8477 10.8477 10.9383 10.9383 13.0429 13.0429 15.7646 15.7646 19.7305 19.7305 20.2191 20.2191 k = 0.4082-0.2357 0.3333 ( 2498 PWs) bands (ev): -8.8415 -8.8415 -8.8186 -8.8186 -8.7874 -8.7874 -8.7838 -8.7838 -7.8405 -7.8405 -7.8156 -7.8156 -7.7964 -7.7964 -7.7497 -7.7497 -7.7255 -7.7255 -7.6640 -7.6640 4.2108 4.2108 6.0898 6.0898 7.3979 7.3979 8.8644 8.8644 9.1810 9.1810 9.9776 9.9776 10.1285 10.1285 10.7619 10.7619 10.8448 10.8448 13.0612 13.0612 15.7563 15.7563 19.8350 19.8350 20.3805 20.3805 k = 0.4184-0.2415 0.3416 ( 2490 PWs) bands (ev): -8.8415 -8.8415 -8.8196 -8.8196 -8.7873 -8.7873 -8.7831 -8.7831 -7.8407 -7.8407 -7.8149 -7.8149 -7.7983 -7.7983 -7.7478 -7.7478 -7.7259 -7.7259 -7.6638 -7.6638 4.3199 4.3199 6.0686 6.0686 7.2670 7.2670 8.8894 8.8894 9.2290 9.2290 9.9848 9.9848 10.1052 10.1052 10.6804 10.6804 10.7547 10.7547 13.0775 13.0775 15.7491 15.7491 19.9348 19.9348 20.5327 20.5327 k = 0.4286-0.2474 0.3499 ( 2490 PWs) bands (ev): -8.8414 -8.8414 -8.8204 -8.8204 -8.7872 -8.7872 -8.7825 -8.7825 -7.8408 -7.8408 -7.8143 -7.8143 -7.8001 -7.8001 -7.7461 -7.7461 -7.7263 -7.7263 -7.6637 -7.6637 4.4267 4.4267 6.0498 6.0498 7.1391 7.1391 8.9142 8.9142 9.2760 9.2760 9.9934 9.9934 10.0885 10.0885 10.6034 10.6034 10.6682 10.6682 13.0917 13.0917 15.7430 15.7430 20.0286 20.0286 20.6725 20.6725 k = 0.4388-0.2533 0.3583 ( 2478 PWs) bands (ev): -8.8414 -8.8414 -8.8211 -8.8211 -8.7872 -8.7872 -8.7820 -8.7820 -7.8409 -7.8409 -7.8138 -7.8138 -7.8016 -7.8016 -7.7446 -7.7446 -7.7267 -7.7267 -7.6636 -7.6636 4.5296 4.5296 6.0335 6.0335 7.0166 7.0166 8.9380 8.9380 9.3212 9.3212 10.0037 10.0037 10.0782 10.0782 10.5314 10.5314 10.5858 10.5858 13.1039 13.1039 15.7378 15.7378 20.1150 20.1150 20.7939 20.7939 k = 0.4490-0.2592 0.3666 ( 2482 PWs) bands (ev): -8.8414 -8.8414 -8.8217 -8.8217 -8.7872 -8.7872 -8.7815 -8.7815 -7.8410 -7.8410 -7.8133 -7.8133 -7.8029 -7.8029 -7.7433 -7.7433 -7.7269 -7.7269 -7.6634 -7.6634 4.6264 4.6264 6.0197 6.0197 6.9023 6.9023 8.9599 8.9599 9.3636 9.3636 10.0163 10.0163 10.0741 10.0741 10.4649 10.4649 10.5082 10.5082 13.1142 13.1142 15.7335 15.7335 20.1923 20.1923 20.8920 20.8920 k = 0.4592-0.2651 0.3749 ( 2482 PWs) bands (ev): -8.8414 -8.8414 -8.8223 -8.8223 -8.7872 -8.7872 -8.7811 -8.7811 -7.8411 -7.8411 -7.8130 -7.8130 -7.8040 -7.8040 -7.7422 -7.7422 -7.7272 -7.7272 -7.6633 -7.6633 4.7144 4.7144 6.0084 6.0084 6.7995 6.7995 8.9791 8.9791 9.4017 9.4017 10.0316 10.0316 10.0759 10.0759 10.4045 10.4045 10.4361 10.4361 13.1226 13.1226 15.7301 15.7301 20.2588 20.2588 20.9703 20.9703 k = 0.4694-0.2710 0.3833 ( 2486 PWs) bands (ev): -8.8414 -8.8414 -8.8227 -8.8227 -8.7872 -8.7872 -8.7808 -8.7808 -7.8412 -7.8412 -7.8127 -7.8127 -7.8048 -7.8048 -7.7413 -7.7413 -7.7273 -7.7273 -7.6633 -7.6633 4.7898 4.7898 5.9996 5.9996 6.7121 6.7121 8.9948 8.9948 9.4340 9.4340 10.0500 10.0500 10.0828 10.0828 10.3515 10.3515 10.3709 10.3709 13.1291 13.1291 15.7275 15.7275 20.3128 20.3128 21.0321 21.0321 k = 0.4796-0.2769 0.3916 ( 2490 PWs) bands (ev): -8.8414 -8.8414 -8.8230 -8.8230 -8.7872 -8.7872 -8.7806 -8.7806 -7.8412 -7.8412 -7.8125 -7.8125 -7.8054 -7.8054 -7.7407 -7.7407 -7.7275 -7.7275 -7.6632 -7.6632 4.8485 4.8485 5.9933 5.9933 6.6447 6.6447 9.0066 9.0066 9.4587 9.4587 10.0708 10.0708 10.0933 10.0933 10.3078 10.3078 10.3150 10.3150 13.1337 13.1337 15.7256 15.7256 20.3528 20.3528 21.0774 21.0774 k = 0.4898-0.2828 0.3999 ( 2498 PWs) bands (ev): -8.8414 -8.8414 -8.8231 -8.8231 -8.7872 -8.7872 -8.7805 -8.7805 -7.8413 -7.8413 -7.8124 -7.8124 -7.8057 -7.8057 -7.7404 -7.7404 -7.7275 -7.7275 -7.6632 -7.6632 4.8861 4.8861 5.9896 5.9896 6.6018 6.6018 9.0138 9.0138 9.4743 9.4743 10.0904 10.0904 10.1037 10.1037 10.2736 10.2736 10.2772 10.2772 13.1365 13.1365 15.7245 15.7245 20.3773 20.3773 21.1052 21.1052 k = 0.5000-0.2887 0.4082 ( 2498 PWs) bands (ev): -8.8414 -8.8414 -8.8232 -8.8232 -8.7872 -8.7872 -8.7804 -8.7804 -7.8413 -7.8413 -7.8123 -7.8123 -7.8058 -7.8058 -7.7403 -7.7403 -7.7276 -7.7276 -7.6632 -7.6632 4.8991 4.8991 5.9883 5.9883 6.5870 6.5870 9.0162 9.0162 9.4797 9.4797 10.0995 10.0995 10.1085 10.1085 10.2571 10.2571 10.2658 10.2658 13.1374 13.1374 15.7242 15.7242 20.3856 20.3856 21.1146 21.1146 k = 0.5000-0.2887 0.4082 ( 2498 PWs) bands (ev): -8.8414 -8.8414 -8.8232 -8.8232 -8.7872 -8.7872 -8.7804 -8.7804 -7.8413 -7.8413 -7.8123 -7.8123 -7.8058 -7.8058 -7.7403 -7.7403 -7.7276 -7.7276 -7.6632 -7.6632 4.8991 4.8991 5.9883 5.9883 6.5870 6.5870 9.0162 9.0162 9.4797 9.4797 10.0995 10.0995 10.1085 10.1085 10.2571 10.2571 10.2658 10.2658 13.1374 13.1374 15.7242 15.7242 20.3856 20.3856 21.1146 21.1146 k = 0.5000-0.2771 0.4164 ( 2498 PWs) bands (ev): -8.8413 -8.8413 -8.8232 -8.8232 -8.7872 -8.7872 -8.7804 -8.7804 -7.8412 -7.8412 -7.8123 -7.8123 -7.8059 -7.8059 -7.7402 -7.7402 -7.7276 -7.7276 -7.6633 -7.6633 4.8999 4.8999 5.9868 5.9868 6.5886 6.5886 9.0155 9.0155 9.4773 9.4773 10.0678 10.0678 10.1048 10.1048 10.2595 10.2595 10.3001 10.3001 13.1422 13.1422 15.7285 15.7285 20.3698 20.3698 21.0820 21.0820 k = 0.5000-0.2656 0.4246 ( 2492 PWs) bands (ev): -8.8412 -8.8412 -8.8232 -8.8232 -8.7872 -8.7872 -8.7804 -8.7804 -7.8411 -7.8411 -7.8121 -7.8121 -7.8059 -7.8059 -7.7401 -7.7401 -7.7278 -7.7278 -7.6636 -7.6636 4.9022 4.9022 5.9822 5.9822 6.5931 6.5931 9.0131 9.0131 9.4702 9.4702 10.0000 10.0000 10.1050 10.1050 10.2617 10.2617 10.3696 10.3696 13.1568 13.1568 15.7415 15.7415 20.3215 20.3215 21.0079 21.0079 k = 0.5000-0.2540 0.4327 ( 2488 PWs) bands (ev): -8.8410 -8.8410 -8.8231 -8.8231 -8.7872 -8.7872 -8.7804 -8.7804 -7.8410 -7.8410 -7.8117 -7.8117 -7.8059 -7.8059 -7.7400 -7.7400 -7.7282 -7.7282 -7.6641 -7.6641 4.9060 4.9060 5.9746 5.9746 6.6007 6.6007 9.0089 9.0089 9.4583 9.4583 9.9263 9.9263 10.1059 10.1059 10.2649 10.2649 10.4464 10.4464 13.1811 13.1811 15.7631 15.7631 20.2393 20.2393 20.9175 20.9175 k = 0.5000-0.2425 0.4409 ( 2488 PWs) bands (ev): -8.8408 -8.8408 -8.8231 -8.8231 -8.7872 -8.7872 -8.7804 -8.7804 -7.8407 -7.8407 -7.8112 -7.8112 -7.8060 -7.8060 -7.7398 -7.7398 -7.7287 -7.7287 -7.6649 -7.6649 4.9114 4.9114 5.9641 5.9641 6.6112 6.6112 9.0022 9.0022 9.4413 9.4413 9.8541 9.8541 10.1071 10.1071 10.2692 10.2692 10.5244 10.5244 13.2149 13.2149 15.7934 15.7934 20.1227 20.1227 20.8263 20.8263 k = 0.5000-0.2309 0.4491 ( 2478 PWs) bands (ev): -8.8404 -8.8404 -8.8231 -8.8231 -8.7871 -8.7871 -8.7804 -8.7804 -7.8404 -7.8404 -7.8107 -7.8107 -7.8060 -7.8060 -7.7396 -7.7396 -7.7292 -7.7292 -7.6659 -7.6659 4.9183 4.9183 5.9507 5.9507 6.6247 6.6247 8.9922 8.9922 9.4191 9.4191 9.7866 9.7866 10.1085 10.1085 10.2745 10.2745 10.6014 10.6014 13.2583 13.2583 15.8323 15.8323 19.9746 19.9746 20.7428 20.7428 k = 0.5000-0.2194 0.4572 ( 2482 PWs) bands (ev): -8.8400 -8.8400 -8.8230 -8.8230 -8.7871 -8.7871 -8.7805 -8.7805 -7.8400 -7.8400 -7.8101 -7.8101 -7.8059 -7.8059 -7.7394 -7.7394 -7.7299 -7.7299 -7.6670 -7.6670 4.9268 4.9268 5.9346 5.9346 6.6412 6.6412 8.9777 8.9777 9.3921 9.3921 9.7258 9.7258 10.1100 10.1100 10.2805 10.2805 10.6765 10.6765 13.3110 13.3110 15.8798 15.8798 19.8009 19.8009 20.6690 20.6690 k = 0.5000-0.2078 0.4654 ( 2488 PWs) bands (ev): -8.8396 -8.8396 -8.8229 -8.8229 -8.7871 -8.7871 -8.7805 -8.7805 -7.8395 -7.8395 -7.8096 -7.8096 -7.8057 -7.8057 -7.7393 -7.7393 -7.7306 -7.7306 -7.6684 -7.6684 4.9367 4.9367 5.9159 5.9159 6.6606 6.6606 8.9570 8.9570 9.3617 9.3617 9.6731 9.6731 10.1116 10.1116 10.2870 10.2870 10.7492 10.7492 13.3729 13.3729 15.9358 15.9358 19.6086 19.6086 20.6037 20.6037 k = 0.5000-0.1963 0.4736 ( 2496 PWs) bands (ev): -8.8390 -8.8390 -8.8228 -8.8228 -8.7870 -8.7870 -8.7805 -8.7805 -7.8390 -7.8390 -7.8093 -7.8093 -7.8052 -7.8052 -7.7392 -7.7392 -7.7312 -7.7312 -7.6699 -7.6699 4.9482 4.9482 5.8948 5.8948 6.6829 6.6829 8.9283 8.9283 9.3303 9.3303 9.6285 9.6285 10.1133 10.1133 10.2938 10.2938 10.8188 10.8188 13.4438 13.4438 16.0003 16.0003 19.4037 19.4037 20.5448 20.5448 k = 0.5000-0.1848 0.4817 ( 2492 PWs) bands (ev): -8.8385 -8.8385 -8.8228 -8.8228 -8.7870 -8.7870 -8.7805 -8.7805 -7.8384 -7.8384 -7.8092 -7.8092 -7.8043 -7.8043 -7.7394 -7.7394 -7.7317 -7.7317 -7.6716 -7.6716 4.9612 4.9612 5.8715 5.8715 6.7079 6.7079 8.8900 8.8900 9.3012 9.3012 9.5911 9.5911 10.1150 10.1150 10.3008 10.3008 10.8852 10.8852 13.5235 13.5235 16.0731 16.0731 19.1904 19.1904 20.4908 20.4908 k = 0.5000-0.1732 0.4899 ( 2496 PWs) bands (ev): -8.8379 -8.8379 -8.8227 -8.8227 -8.7870 -8.7870 -8.7805 -8.7805 -7.8378 -7.8378 -7.8094 -7.8094 -7.8031 -7.8031 -7.7399 -7.7399 -7.7318 -7.7318 -7.6735 -7.6735 4.9756 4.9756 5.8462 5.8462 6.7357 6.7357 8.8417 8.8417 9.2767 9.2767 9.5594 9.5594 10.1166 10.1166 10.3077 10.3077 10.9481 10.9481 13.6117 13.6117 16.1542 16.1542 18.9719 18.9719 20.4406 20.4406 k = 0.5000-0.1617 0.4981 ( 2500 PWs) bands (ev): -8.8373 -8.8373 -8.8226 -8.8226 -8.7869 -8.7869 -8.7805 -8.7805 -7.8371 -7.8371 -7.8097 -7.8097 -7.8017 -7.8017 -7.7408 -7.7408 -7.7317 -7.7317 -7.6755 -7.6755 4.9915 4.9915 5.8190 5.8190 6.7660 6.7660 8.7840 8.7840 9.2581 9.2581 9.5321 9.5321 10.1182 10.1182 10.3144 10.3144 11.0071 11.0071 13.7084 13.7084 16.2433 16.2433 18.7504 18.7504 20.3931 20.3931 k = 0.5000-0.1501 0.5062 ( 2496 PWs) bands (ev): -8.8366 -8.8366 -8.8225 -8.8225 -8.7869 -8.7869 -8.7805 -8.7805 -7.8363 -7.8363 -7.8101 -7.8101 -7.8001 -7.8001 -7.7421 -7.7421 -7.7312 -7.7312 -7.6776 -7.6776 5.0088 5.0088 5.7902 5.7902 6.7989 6.7989 8.7190 8.7190 9.2451 9.2451 9.5080 9.5080 10.1198 10.1198 10.3209 10.3209 11.0623 11.0623 13.8130 13.8130 16.3404 16.3404 18.5273 18.5273 20.3475 20.3475 k = 0.5000-0.1386 0.5144 ( 2496 PWs) bands (ev): -8.8360 -8.8360 -8.8224 -8.8224 -8.7869 -8.7869 -8.7805 -8.7805 -7.8354 -7.8354 -7.8106 -7.8106 -7.7984 -7.7984 -7.7436 -7.7436 -7.7304 -7.7304 -7.6799 -7.6799 5.0276 5.0276 5.7600 5.7600 6.8342 6.8342 8.6486 8.6486 9.2369 9.2369 9.4862 9.4862 10.1213 10.1213 10.3269 10.3269 11.1134 11.1134 13.9255 13.9255 16.4451 16.4451 18.3039 18.3039 20.3024 20.3024 k = 0.5000-0.1270 0.5226 ( 2496 PWs) bands (ev): -8.8353 -8.8353 -8.8224 -8.8224 -8.7868 -8.7868 -8.7805 -8.7805 -7.8346 -7.8346 -7.8111 -7.8111 -7.7965 -7.7965 -7.7453 -7.7453 -7.7294 -7.7294 -7.6822 -7.6822 5.0477 5.0477 5.7286 5.7286 6.8716 6.8716 8.5749 8.5749 9.2325 9.2325 9.4663 9.4663 10.1227 10.1227 10.3325 10.3325 11.1604 11.1604 14.0456 14.0456 16.5573 16.5573 18.0809 18.0809 20.2542 20.2542 k = 0.5000-0.1155 0.5307 ( 2500 PWs) bands (ev): -8.8347 -8.8347 -8.8223 -8.8223 -8.7868 -8.7868 -8.7805 -8.7805 -7.8336 -7.8336 -7.8117 -7.8117 -7.7945 -7.7945 -7.7472 -7.7472 -7.7283 -7.7283 -7.6847 -7.6847 5.0691 5.0691 5.6962 5.6962 6.9110 6.9110 8.4996 8.4996 9.2310 9.2310 9.4478 9.4478 10.1240 10.1240 10.3377 10.3377 11.2033 11.2033 14.1729 14.1729 16.6765 16.6765 17.8591 17.8591 20.1922 20.1922 k = 0.5000-0.1039 0.5389 ( 2492 PWs) bands (ev): -8.8341 -8.8341 -8.8222 -8.8222 -8.7868 -8.7868 -8.7805 -8.7805 -7.8327 -7.8327 -7.8123 -7.8123 -7.7925 -7.7925 -7.7493 -7.7493 -7.7270 -7.7270 -7.6872 -7.6872 5.0919 5.0919 5.6630 5.6630 6.9520 6.9520 8.4241 8.4241 9.2318 9.2318 9.4306 9.4306 10.1253 10.1253 10.3423 10.3423 11.2419 11.2419 14.3072 14.3072 16.8025 16.8025 17.6390 17.6390 20.0860 20.0860 k = 0.5000-0.0924 0.5471 ( 2498 PWs) bands (ev): -8.8335 -8.8335 -8.8222 -8.8222 -8.7868 -8.7868 -8.7805 -8.7805 -7.8317 -7.8317 -7.8130 -7.8130 -7.7903 -7.7903 -7.7514 -7.7514 -7.7256 -7.7256 -7.6897 -7.6897 5.1159 5.1159 5.6291 5.6291 6.9942 6.9942 8.3496 8.3496 9.2343 9.2343 9.4144 9.4144 10.1264 10.1264 10.3463 10.3463 11.2764 11.2764 14.4483 14.4483 16.9346 16.9346 17.4211 17.4211 19.9206 19.9206 k = 0.5000-0.0808 0.5552 ( 2502 PWs) bands (ev): -8.8329 -8.8329 -8.8221 -8.8221 -8.7868 -8.7868 -8.7805 -8.7805 -7.8307 -7.8307 -7.8137 -7.8137 -7.7881 -7.7881 -7.7537 -7.7537 -7.7240 -7.7240 -7.6923 -7.6923 5.1411 5.1411 5.5949 5.5949 7.0371 7.0371 8.2772 8.2772 9.2382 9.2382 9.3992 9.3992 10.1274 10.1274 10.3499 10.3499 11.3067 11.3067 14.5958 14.5958 17.0720 17.0720 17.2061 17.2061 19.7292 19.7292 k = 0.5000-0.0693 0.5634 ( 2502 PWs) bands (ev): -8.8324 -8.8324 -8.8221 -8.8221 -8.7868 -8.7868 -8.7804 -8.7804 -7.8298 -7.8298 -7.8144 -7.8144 -7.7858 -7.7858 -7.7560 -7.7560 -7.7224 -7.7224 -7.6949 -7.6949 5.1675 5.1675 5.5606 5.5606 7.0799 7.0799 8.2081 8.2081 9.2432 9.2432 9.3850 9.3850 10.1283 10.1283 10.3529 10.3529 11.3329 11.3329 14.7495 14.7495 16.9923 16.9923 17.2159 17.2159 19.5326 19.5326 k = 0.5000-0.0577 0.5715 ( 2494 PWs) bands (ev): -8.8320 -8.8320 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8288 -7.8288 -7.8152 -7.8152 -7.7834 -7.7834 -7.7584 -7.7584 -7.7206 -7.7206 -7.6974 -7.6974 5.1948 5.1948 5.5262 5.5262 7.1216 7.1216 8.1438 8.1438 9.2489 9.2489 9.3717 9.3717 10.1291 10.1291 10.3554 10.3554 11.3549 11.3549 14.9091 14.9091 16.7830 16.7830 17.3620 17.3620 19.3380 19.3380 k = 0.5000-0.0462 0.5797 ( 2496 PWs) bands (ev): -8.8316 -8.8316 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8279 -7.8279 -7.8159 -7.8159 -7.7810 -7.7810 -7.7608 -7.7608 -7.7187 -7.7187 -7.7000 -7.7000 5.2229 5.2229 5.4922 5.4922 7.1607 7.1607 8.0859 8.0859 9.2552 9.2552 9.3595 9.3595 10.1298 10.1298 10.3575 10.3575 11.3729 11.3729 15.0743 15.0743 16.5770 16.5770 17.5099 17.5099 19.1495 19.1495 k = 0.5000-0.0346 0.5879 ( 2492 PWs) bands (ev): -8.8313 -8.8313 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8271 -7.8271 -7.8166 -7.8166 -7.7785 -7.7785 -7.7633 -7.7633 -7.7167 -7.7167 -7.7025 -7.7025 5.2517 5.2517 5.4588 5.4588 7.1953 7.1953 8.0365 8.0365 9.2615 9.2615 9.3487 9.3487 10.1303 10.1303 10.3590 10.3590 11.3868 11.3868 15.2449 15.2449 16.3746 16.3746 17.6557 17.6557 18.9718 18.9718 k = 0.5000-0.0231 0.5960 ( 2492 PWs) bands (ev): -8.8311 -8.8311 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8264 -7.8264 -7.8171 -7.8171 -7.7761 -7.7761 -7.7658 -7.7658 -7.7146 -7.7146 -7.7050 -7.7050 5.2802 5.2802 5.4269 5.4269 7.2230 7.2230 7.9981 7.9981 9.2673 9.2673 9.3397 9.3397 10.1307 10.1307 10.3602 10.3602 11.3968 11.3968 15.4204 15.4204 16.1765 16.1765 17.7914 17.7914 18.8132 18.8132 k = 0.5000-0.0115 0.6042 ( 2488 PWs) bands (ev): -8.8309 -8.8309 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8260 -7.8260 -7.8175 -7.8175 -7.7737 -7.7737 -7.7682 -7.7682 -7.7125 -7.7125 -7.7073 -7.7073 5.3062 5.3062 5.3989 5.3989 7.2412 7.2412 7.9735 7.9735 9.2717 9.2717 9.3334 9.3334 10.1309 10.1309 10.3608 10.3608 11.4027 11.4027 15.5996 15.5996 15.9837 15.9837 17.8987 17.8987 18.6920 18.6920 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -8.8309 -8.8309 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8258 -7.8258 -7.8176 -7.8176 -7.7720 -7.7720 -7.7699 -7.7699 -7.7111 -7.7111 -7.7088 -7.7088 5.3196 5.3196 5.3849 5.3849 7.2475 7.2475 7.9650 7.9650 9.2734 9.2734 9.3311 9.3311 10.1310 10.1310 10.3610 10.3610 11.4047 11.4047 15.7509 15.7509 15.8278 15.8278 17.9428 17.9428 18.6433 18.6433 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -8.8309 -8.8309 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8258 -7.8258 -7.8176 -7.8176 -7.7720 -7.7720 -7.7699 -7.7699 -7.7111 -7.7111 -7.7088 -7.7088 5.3196 5.3196 5.3849 5.3849 7.2475 7.2475 7.9650 7.9650 9.2734 9.2734 9.3311 9.3311 10.1310 10.1310 10.3610 10.3610 11.4047 11.4047 15.7509 15.7509 15.8278 15.8278 17.9428 17.9428 18.6433 18.6433 k = 0.4931 0.0120 0.6124 ( 2488 PWs) bands (ev): -8.8309 -8.8309 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8259 -7.8259 -7.8175 -7.8175 -7.7730 -7.7730 -7.7689 -7.7689 -7.7119 -7.7119 -7.7080 -7.7080 5.3120 5.3120 5.3895 5.3895 7.2480 7.2480 7.9697 7.9697 9.2719 9.2719 9.3326 9.3326 10.1302 10.1302 10.3629 10.3629 11.4047 11.4047 15.6515 15.6515 15.9269 15.9269 17.9228 17.9228 18.6700 18.6700 k = 0.4861 0.0241 0.6124 ( 2492 PWs) bands (ev): -8.8309 -8.8309 -8.8220 -8.8220 -8.7868 -8.7868 -8.7805 -8.7805 -7.8260 -7.8260 -7.8173 -7.8173 -7.7746 -7.7746 -7.7673 -7.7673 -7.7134 -7.7134 -7.7066 -7.7066 5.2967 5.2967 5.3967 5.3967 7.2484 7.2484 7.9839 7.9839 9.2676 9.2676 9.3366 9.3366 10.1275 10.1275 10.3690 10.3690 11.4047 11.4047 15.5193 15.5193 16.0587 16.0587 17.8722 17.8722 18.7404 18.7404 k = 0.4792 0.0361 0.6124 ( 2494 PWs) bands (ev): -8.8309 -8.8309 -8.8219 -8.8219 -8.7868 -8.7868 -8.7805 -8.7805 -7.8262 -7.8262 -7.8169 -7.8169 -7.7762 -7.7762 -7.7656 -7.7656 -7.7149 -7.7149 -7.7052 -7.7052 5.2795 5.2795 5.4013 5.4013 7.2476 7.2476 8.0076 8.0076 9.2617 9.2617 9.3424 9.3424 10.1227 10.1227 10.3795 10.3795 11.4044 11.4044 15.3834 15.3834 16.1947 16.1947 17.8062 17.8062 18.8388 18.8388 k = 0.4722 0.0481 0.6124 ( 2492 PWs) bands (ev): -8.8309 -8.8309 -8.8219 -8.8219 -8.7868 -8.7868 -8.7805 -8.7805 -7.8265 -7.8265 -7.8165 -7.8165 -7.7778 -7.7778 -7.7640 -7.7640 -7.7164 -7.7164 -7.7039 -7.7039 5.2624 5.2624 5.4023 5.4023 7.2451 7.2451 8.0400 8.0400 9.2552 9.2552 9.3492 9.3492 10.1156 10.1156 10.3944 10.3944 11.4036 11.4036 15.2462 15.2462 16.3335 16.3335 17.7353 17.7353 18.9542 18.9542 k = 0.4653 0.0601 0.6124 ( 2492 PWs) bands (ev): -8.8310 -8.8310 -8.8218 -8.8218 -8.7869 -8.7869 -8.7806 -8.7806 -7.8267 -7.8267 -7.8159 -7.8159 -7.7794 -7.7794 -7.7624 -7.7624 -7.7179 -7.7179 -7.7026 -7.7026 5.2458 5.2458 5.4001 5.4001 7.2405 7.2405 8.0798 8.0798 9.2487 9.2487 9.3563 9.3563 10.1066 10.1066 10.4135 10.4135 11.4019 11.4019 15.1091 15.1091 16.4747 16.4747 17.6652 17.6652 19.0796 19.0796 k = 0.4583 0.0722 0.6124 ( 2508 PWs) bands (ev): -8.8310 -8.8310 -8.8217 -8.8217 -8.7869 -8.7869 -8.7806 -8.7806 -7.8270 -7.8270 -7.8153 -7.8153 -7.7810 -7.7810 -7.7608 -7.7608 -7.7194 -7.7194 -7.7014 -7.7014 5.2302 5.2302 5.3952 5.3952 7.2342 7.2342 8.1255 8.1255 9.2428 9.2428 9.3634 9.3634 10.0961 10.0961 10.4365 10.4365 11.3993 11.3993 14.9734 14.9734 16.6181 16.6181 17.5987 17.5987 19.2109 19.2109 k = 0.4514 0.0842 0.6124 ( 2502 PWs) bands (ev): -8.8310 -8.8310 -8.8217 -8.8217 -8.7869 -8.7869 -8.7807 -8.7807 -7.8273 -7.8273 -7.8147 -7.8147 -7.7825 -7.7825 -7.7592 -7.7592 -7.7208 -7.7208 -7.7003 -7.7003 5.2156 5.2156 5.3882 5.3882 7.2265 7.2265 8.1751 8.1751 9.2379 9.2379 9.3701 9.3701 10.0847 10.0847 10.4628 10.4628 11.3955 11.3955 14.8404 14.8404 16.7634 16.7634 17.5373 17.5373 19.3439 19.3439 k = 0.4444 0.0962 0.6124 ( 2503 PWs) bands (ev): -8.8310 -8.8310 -8.8216 -8.8216 -8.7870 -8.7870 -8.7808 -8.7808 -7.8275 -7.8275 -7.8141 -7.8141 -7.7839 -7.7839 -7.7577 -7.7577 -7.7222 -7.7222 -7.6993 -7.6993 5.2022 5.2022 5.3799 5.3799 7.2179 7.2179 8.2268 8.2268 9.2342 9.2342 9.3763 9.3763 10.0726 10.0726 10.4921 10.4921 11.3903 11.3903 14.7116 14.7116 16.9104 16.9104 17.4815 17.4815 19.4711 19.4711 k = 0.4375 0.1083 0.6124 ( 2499 PWs) bands (ev): -8.8311 -8.8311 -8.8216 -8.8216 -8.7870 -8.7870 -8.7808 -8.7808 -7.8278 -7.8278 -7.8134 -7.8134 -7.7853 -7.7853 -7.7563 -7.7563 -7.7236 -7.7236 -7.6983 -7.6983 5.1900 5.1900 5.3708 5.3708 7.2089 7.2089 8.2788 8.2788 9.2319 9.2319 9.3816 9.3816 10.0604 10.0604 10.5239 10.5239 11.3835 11.3835 14.5884 14.5884 17.0587 17.0587 17.4317 17.4317 19.5653 19.5653 k = 0.4306 0.1203 0.6124 ( 2503 PWs) bands (ev): -8.8311 -8.8311 -8.8215 -8.8215 -8.7871 -8.7871 -8.7809 -8.7809 -7.8280 -7.8280 -7.8128 -7.8128 -7.7866 -7.7866 -7.7548 -7.7548 -7.7249 -7.7249 -7.6975 -7.6975 5.1790 5.1790 5.3614 5.3614 7.1998 7.1998 8.3293 8.3293 9.2311 9.2311 9.3859 9.3859 10.0485 10.0485 10.5577 10.5577 11.3752 11.3752 14.4723 14.4723 17.2072 17.2072 17.3885 17.3885 19.5630 19.5630 k = 0.4236 0.1323 0.6124 ( 2499 PWs) bands (ev): -8.8311 -8.8311 -8.8215 -8.8215 -8.7871 -8.7871 -8.7809 -8.7809 -7.8281 -7.8281 -7.8121 -7.8121 -7.7878 -7.7878 -7.7535 -7.7535 -7.7262 -7.7262 -7.6967 -7.6967 5.1693 5.1693 5.3522 5.3522 7.1910 7.1910 8.3769 8.3769 9.2318 9.2318 9.3892 9.3892 10.0370 10.0370 10.5927 10.5927 11.3653 11.3653 14.3650 14.3650 17.3319 17.3319 17.3755 17.3755 19.4853 19.4853 k = 0.4167 0.1443 0.6124 ( 2508 PWs) bands (ev): -8.8311 -8.8311 -8.8214 -8.8214 -8.7872 -8.7872 -8.7810 -8.7810 -7.8283 -7.8283 -7.8115 -7.8115 -7.7889 -7.7889 -7.7523 -7.7523 -7.7273 -7.7273 -7.6961 -7.6961 5.1608 5.1608 5.3436 5.3436 7.1830 7.1830 8.4202 8.4202 9.2340 9.2340 9.3914 9.3914 10.0265 10.0265 10.6281 10.6281 11.3540 11.3540 14.2678 14.2678 17.3119 17.3119 17.5128 17.5128 19.3806 19.3806 k = 0.4097 0.1564 0.6124 ( 2501 PWs) bands (ev): -8.8311 -8.8311 -8.8214 -8.8214 -8.7872 -8.7872 -8.7810 -8.7810 -7.8284 -7.8284 -7.8109 -7.8109 -7.7899 -7.7899 -7.7511 -7.7511 -7.7284 -7.7284 -7.6955 -7.6955 5.1536 5.1536 5.3358 5.3358 7.1758 7.1758 8.4583 8.4583 9.2373 9.2373 9.3925 9.3925 10.0171 10.0171 10.6627 10.6627 11.3416 11.3416 14.1824 14.1824 17.2851 17.2851 17.6614 17.6614 19.2636 19.2636 k = 0.4028 0.1684 0.6124 ( 2498 PWs) bands (ev): -8.8311 -8.8311 -8.8214 -8.8214 -8.7872 -8.7872 -8.7811 -8.7811 -7.8286 -7.8286 -7.8104 -7.8104 -7.7908 -7.7908 -7.7501 -7.7501 -7.7294 -7.7294 -7.6950 -7.6950 5.1477 5.1477 5.3291 5.3291 7.1696 7.1696 8.4902 8.4902 9.2414 9.2414 9.3927 9.3927 10.0090 10.0090 10.6950 10.6950 11.3289 11.3289 14.1101 14.1101 17.2629 17.2629 17.8081 17.8081 19.1402 19.1402 k = 0.3958 0.1804 0.6124 ( 2502 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8286 -7.8286 -7.8100 -7.8100 -7.7915 -7.7915 -7.7492 -7.7492 -7.7302 -7.7302 -7.6947 -7.6947 5.1431 5.1431 5.3237 5.3237 7.1648 7.1648 8.5155 8.5155 9.2456 9.2456 9.3922 9.3922 10.0025 10.0025 10.7233 10.7233 11.3168 11.3168 14.0524 14.0524 17.2457 17.2457 17.9494 17.9494 19.0154 19.0154 k = 0.3889 0.1925 0.6124 ( 2498 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8287 -7.8287 -7.8097 -7.8097 -7.7920 -7.7920 -7.7486 -7.7486 -7.7309 -7.7309 -7.6944 -7.6944 5.1398 5.1398 5.3198 5.3198 7.1612 7.1612 8.5338 8.5338 9.2494 9.2494 9.3914 9.3914 9.9978 9.9978 10.7456 10.7456 11.3066 11.3066 14.0103 14.0103 17.2334 17.2334 18.0787 18.0787 18.8971 18.8971 k = 0.3819 0.2045 0.6124 ( 2498 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8287 -7.8287 -7.8094 -7.8094 -7.7923 -7.7923 -7.7481 -7.7481 -7.7313 -7.7313 -7.6943 -7.6943 5.1378 5.1378 5.3173 5.3173 7.1590 7.1590 8.5448 8.5448 9.2520 9.2520 9.3907 9.3907 9.9949 9.9949 10.7600 10.7600 11.2998 11.2998 13.9846 13.9846 17.2260 17.2260 18.1807 18.1807 18.8015 18.8015 k = 0.3750 0.2165 0.6124 ( 2502 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8287 -7.8287 -7.8094 -7.8094 -7.7924 -7.7924 -7.7480 -7.7480 -7.7314 -7.7314 -7.6942 -7.6942 5.1371 5.1371 5.3165 5.3165 7.1583 7.1583 8.5485 8.5485 9.2530 9.2530 9.3905 9.3905 9.9939 9.9939 10.7650 10.7650 11.2973 11.2973 13.9760 13.9760 17.2236 17.2236 18.2229 18.2229 18.7613 18.7613 k = 0.3750 0.2165 0.6124 ( 2502 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8287 -7.8287 -7.8094 -7.8094 -7.7924 -7.7924 -7.7480 -7.7480 -7.7314 -7.7314 -7.6942 -7.6942 5.1371 5.1371 5.3165 5.3165 7.1583 7.1583 8.5485 8.5485 9.2530 9.2530 9.3905 9.3905 9.9939 9.9939 10.7650 10.7650 11.2973 11.2973 13.9760 13.9760 17.2236 17.2236 18.2229 18.2229 18.7613 18.7613 k = 0.3678 0.2123 0.6006 ( 2502 PWs) bands (ev): -8.8302 -8.8302 -8.8210 -8.8210 -8.7874 -8.7874 -8.7813 -8.7813 -7.8272 -7.8272 -7.8097 -7.8097 -7.7904 -7.7904 -7.7501 -7.7501 -7.7304 -7.7304 -7.6975 -7.6975 5.1568 5.1568 5.2393 5.2393 7.2267 7.2267 8.5202 8.5202 9.2493 9.2493 9.3783 9.3783 10.0059 10.0059 10.7626 10.7626 11.3832 11.3832 14.0268 14.0268 17.3935 17.3935 18.0670 18.0670 18.6240 18.6240 k = 0.3606 0.2082 0.5888 ( 2502 PWs) bands (ev): -8.8293 -8.8293 -8.8206 -8.8206 -8.7876 -8.7876 -8.7815 -8.7815 -7.8255 -7.8255 -7.8101 -7.8101 -7.7884 -7.7884 -7.7523 -7.7523 -7.7293 -7.7293 -7.7008 -7.7008 5.1211 5.1211 5.2152 5.2152 7.2978 7.2978 8.4973 8.4973 9.2442 9.2442 9.3689 9.3689 10.0200 10.0200 10.7589 10.7589 11.4714 11.4714 14.0756 14.0756 17.5609 17.5609 17.9167 17.9167 18.4911 18.4911 k = 0.3534 0.2040 0.5770 ( 2502 PWs) bands (ev): -8.8286 -8.8286 -8.8202 -8.8202 -8.7878 -8.7878 -8.7817 -8.7817 -7.8238 -7.8238 -7.8104 -7.8104 -7.7863 -7.7863 -7.7545 -7.7545 -7.7281 -7.7281 -7.7042 -7.7042 5.0346 5.0346 5.2401 5.2401 7.3710 7.3710 8.4801 8.4801 9.2373 9.2373 9.3624 9.3624 10.0358 10.0358 10.7545 10.7545 11.5617 11.5617 14.1227 14.1227 17.6683 17.6683 17.8273 17.8273 18.3627 18.3627 k = 0.3462 0.1999 0.5653 ( 2504 PWs) bands (ev): -8.8279 -8.8279 -8.8197 -8.8197 -8.7880 -8.7880 -8.7819 -8.7819 -7.8221 -7.8221 -7.8107 -7.8107 -7.7842 -7.7842 -7.7568 -7.7568 -7.7269 -7.7269 -7.7076 -7.7076 4.9396 4.9396 5.2721 5.2721 7.4456 7.4456 8.4690 8.4690 9.2283 9.2283 9.3588 9.3588 10.0531 10.0531 10.7500 10.7500 11.6542 11.6542 14.1683 14.1683 17.5621 17.5621 17.9492 17.9492 18.2387 18.2387 k = 0.3389 0.1957 0.5535 ( 2512 PWs) bands (ev): -8.8273 -8.8273 -8.8190 -8.8190 -8.7882 -8.7882 -8.7822 -8.7822 -7.8204 -7.8204 -7.8109 -7.8109 -7.7821 -7.7821 -7.7590 -7.7590 -7.7257 -7.7257 -7.7110 -7.7110 4.8410 4.8410 5.3069 5.3069 7.5207 7.5207 8.4645 8.4645 9.2173 9.2173 9.3583 9.3583 10.0715 10.0715 10.7461 10.7461 11.7487 11.7487 14.2126 14.2126 17.4105 17.4105 18.1066 18.1066 18.1226 18.1226 k = 0.3317 0.1915 0.5417 ( 2512 PWs) bands (ev): -8.8268 -8.8268 -8.8183 -8.8183 -8.7885 -8.7885 -8.7825 -8.7825 -7.8189 -7.8189 -7.8109 -7.8109 -7.7800 -7.7800 -7.7612 -7.7612 -7.7243 -7.7243 -7.7145 -7.7145 4.7399 4.7399 5.3437 5.3437 7.5954 7.5954 8.4670 8.4670 9.2043 9.2043 9.3607 9.3607 10.0905 10.0905 10.7435 10.7435 11.8452 11.8452 14.2561 14.2561 17.2542 17.2542 18.0035 18.0035 18.2634 18.2634 k = 0.3245 0.1874 0.5299 ( 2508 PWs) bands (ev): -8.8265 -8.8265 -8.8174 -8.8174 -8.7888 -8.7888 -8.7828 -8.7828 -7.8177 -7.8177 -7.8107 -7.8107 -7.7781 -7.7781 -7.7634 -7.7634 -7.7230 -7.7230 -7.7179 -7.7179 4.6371 4.6371 5.3824 5.3824 7.6682 7.6682 8.4775 8.4775 9.1896 9.1896 9.3659 9.3659 10.1094 10.1094 10.7431 10.7431 11.9436 11.9436 14.2990 14.2990 17.0972 17.0972 17.8928 17.8928 18.3972 18.3972 k = 0.3173 0.1832 0.5182 ( 2508 PWs) bands (ev): -8.8263 -8.8263 -8.8164 -8.8164 -8.7892 -8.7892 -8.7831 -8.7831 -7.8169 -7.8169 -7.8099 -7.8099 -7.7762 -7.7762 -7.7654 -7.7654 -7.7216 -7.7216 -7.7212 -7.7212 4.5329 4.5329 5.4229 5.4229 7.7377 7.7377 8.4967 8.4967 9.1736 9.1736 9.3738 9.3738 10.1276 10.1276 10.7458 10.7458 12.0439 12.0439 14.3414 14.3414 16.9403 16.9403 17.7862 17.7862 18.5028 18.5028 k = 0.3101 0.1790 0.5064 ( 2504 PWs) bands (ev): -8.8261 -8.8261 -8.8154 -8.8154 -8.7897 -8.7897 -8.7835 -8.7835 -7.8166 -7.8166 -7.8088 -7.8088 -7.7744 -7.7744 -7.7672 -7.7672 -7.7244 -7.7244 -7.7201 -7.7201 4.4278 4.4278 5.4651 5.4651 7.8021 7.8021 8.5256 8.5256 9.1566 9.1566 9.3846 9.3846 10.1441 10.1441 10.7525 10.7525 12.1461 12.1461 14.3837 14.3837 16.7840 16.7840 17.6839 17.6839 18.5735 18.5735 k = 0.3029 0.1749 0.4946 ( 2500 PWs) bands (ev): -8.8261 -8.8261 -8.8143 -8.8143 -8.7902 -8.7902 -8.7838 -8.7838 -7.8167 -7.8167 -7.8075 -7.8075 -7.7729 -7.7729 -7.7688 -7.7688 -7.7274 -7.7274 -7.7187 -7.7187 4.3222 4.3222 5.5091 5.5091 7.8600 7.8600 8.5646 8.5646 9.1389 9.1389 9.3985 9.3985 10.1584 10.1584 10.7642 10.7642 12.2500 12.2500 14.4262 14.4262 16.6287 16.6287 17.5856 17.5856 18.6078 18.6078 k = 0.2957 0.1707 0.4828 ( 2500 PWs) bands (ev): -8.8261 -8.8261 -8.8132 -8.8132 -8.7908 -8.7908 -8.7842 -8.7842 -7.8170 -7.8170 -7.8061 -7.8061 -7.7718 -7.7718 -7.7700 -7.7700 -7.7301 -7.7301 -7.7171 -7.7171 4.2165 4.2165 5.5548 5.5548 7.9102 7.9102 8.6134 8.6134 9.1211 9.1211 9.4160 9.4160 10.1696 10.1696 10.7815 10.7815 12.3556 12.3556 14.4689 14.4689 16.4744 16.4744 17.4915 17.4915 18.6104 18.6104 k = 0.2885 0.1665 0.4711 ( 2500 PWs) bands (ev): -8.8262 -8.8262 -8.8121 -8.8121 -8.7915 -8.7915 -8.7845 -8.7845 -7.8174 -7.8174 -7.8050 -7.8050 -7.7716 -7.7716 -7.7701 -7.7701 -7.7324 -7.7324 -7.7156 -7.7156 4.1109 4.1109 5.6022 5.6022 7.9525 7.9525 8.6705 8.6705 9.1039 9.1039 9.4377 9.4377 10.1776 10.1776 10.8051 10.8051 12.4628 12.4628 14.5122 14.5122 16.3216 16.3216 17.4013 17.4013 18.5888 18.5888 k = 0.2812 0.1624 0.4593 ( 2508 PWs) bands (ev): -8.8264 -8.8264 -8.8109 -8.8109 -8.7923 -8.7923 -8.7848 -8.7848 -7.8180 -7.8180 -7.8043 -7.8043 -7.7717 -7.7717 -7.7698 -7.7698 -7.7343 -7.7343 -7.7140 -7.7140 4.0058 4.0058 5.6514 5.6514 7.9874 7.9874 8.7324 8.7324 9.0891 9.0891 9.4647 9.4647 10.1821 10.1821 10.8351 10.8351 12.5716 12.5716 14.5562 14.5562 16.1702 16.1702 17.3150 17.3150 18.5504 18.5504 k = 0.2740 0.1582 0.4475 ( 2509 PWs) bands (ev): -8.8266 -8.8266 -8.8098 -8.8098 -8.7932 -8.7932 -8.7851 -8.7851 -7.8185 -7.8185 -7.8041 -7.8041 -7.7714 -7.7714 -7.7700 -7.7700 -7.7355 -7.7355 -7.7124 -7.7124 3.9015 3.9015 5.7022 5.7022 8.0157 8.0157 8.7934 8.7934 9.0797 9.0797 9.4982 9.4982 10.1835 10.1835 10.8714 10.8714 12.6819 12.6819 14.6010 14.6010 16.0205 16.0205 17.2325 17.2325 18.5013 18.5013 k = 0.2668 0.1541 0.4357 ( 2509 PWs) bands (ev): -8.8269 -8.8269 -8.8086 -8.8086 -8.7942 -8.7942 -8.7853 -8.7853 -7.8191 -7.8191 -7.8044 -7.8044 -7.7709 -7.7709 -7.7702 -7.7702 -7.7361 -7.7361 -7.7107 -7.7107 3.7981 3.7981 5.7548 5.7548 8.0384 8.0384 8.8440 8.8440 9.0818 9.0818 9.5400 9.5400 10.1825 10.1825 10.9137 10.9137 12.7935 12.7935 14.6470 14.6470 15.8728 15.8728 17.1538 17.1538 18.4456 18.4456 k = 0.2596 0.1499 0.4240 ( 2505 PWs) bands (ev): -8.8272 -8.8272 -8.8075 -8.8075 -8.7952 -8.7952 -8.7855 -8.7855 -7.8198 -7.8198 -7.8052 -7.8052 -7.7721 -7.7721 -7.7686 -7.7686 -7.7361 -7.7361 -7.7090 -7.7090 3.6959 3.6959 5.8090 5.8090 8.0568 8.0568 8.8735 8.8735 9.1026 9.1026 9.5920 9.5920 10.1800 10.1800 10.9613 10.9613 12.9064 12.9064 14.6941 14.6941 15.7271 15.7271 17.0788 17.0788 18.3862 18.3862 k = 0.2524 0.1457 0.4122 ( 2505 PWs) bands (ev): -8.8275 -8.8275 -8.8064 -8.8064 -8.7964 -8.7964 -8.7857 -8.7857 -7.8204 -7.8204 -7.8065 -7.8065 -7.7740 -7.7740 -7.7664 -7.7664 -7.7356 -7.7356 -7.7074 -7.7074 3.5950 3.5950 5.8649 5.8649 8.0715 8.0715 8.8795 8.8795 9.1412 9.1412 9.6553 9.6553 10.1775 10.1775 11.0138 11.0138 13.0204 13.0204 14.7426 14.7426 15.5839 15.5839 17.0073 17.0073 18.3252 18.3252 k = 0.2452 0.1416 0.4004 ( 2509 PWs) bands (ev): -8.8279 -8.8279 -8.8053 -8.8053 -8.7976 -8.7976 -8.7859 -8.7859 -7.8211 -7.8211 -7.8080 -7.8080 -7.7762 -7.7762 -7.7638 -7.7638 -7.7346 -7.7346 -7.7056 -7.7056 3.4958 3.4958 5.9225 5.9225 8.0833 8.0833 8.8697 8.8697 9.1876 9.1876 9.7297 9.7297 10.1772 10.1772 11.0705 11.0705 13.1355 13.1355 14.7925 14.7925 15.4435 15.4435 16.9394 16.9394 18.2637 18.2637 k = 0.2380 0.1374 0.3886 ( 2509 PWs) bands (ev): -8.8283 -8.8283 -8.8043 -8.8043 -8.7989 -8.7989 -8.7860 -8.7860 -7.8218 -7.8218 -7.8098 -7.8098 -7.7787 -7.7787 -7.7608 -7.7608 -7.7333 -7.7333 -7.7039 -7.7039 3.3982 3.3982 5.9817 5.9817 8.0927 8.0927 8.8516 8.8516 9.2338 9.2338 9.8113 9.8113 10.1834 10.1834 11.1307 11.1307 13.2513 13.2513 14.8440 14.8440 15.3062 15.3062 16.8748 16.8748 18.2028 18.2028 k = 0.2308 0.1332 0.3768 ( 2497 PWs) bands (ev): -8.8288 -8.8288 -8.8034 -8.8034 -8.8002 -8.8002 -8.7862 -8.7862 -7.8225 -7.8225 -7.8118 -7.8118 -7.7815 -7.7815 -7.7575 -7.7575 -7.7318 -7.7318 -7.7022 -7.7022 3.3025 3.3025 6.0426 6.0426 8.0999 8.0999 8.8290 8.8290 9.2763 9.2763 9.8909 9.8909 10.2047 10.2047 11.1938 11.1938 13.3677 13.3677 14.8969 14.8969 15.1727 15.1727 16.8136 16.8136 18.1431 18.1431 k = 0.2236 0.1291 0.3651 ( 2501 PWs) bands (ev): -8.8293 -8.8293 -8.8031 -8.8031 -8.8009 -8.8009 -8.7863 -8.7863 -7.8233 -7.8233 -7.8139 -7.8139 -7.7843 -7.7843 -7.7541 -7.7541 -7.7301 -7.7301 -7.7005 -7.7005 3.2089 3.2089 6.1051 6.1051 8.1053 8.1053 8.8039 8.8039 9.3149 9.3149 9.9529 9.9529 10.2551 10.2551 11.2591 11.2591 13.4844 13.4844 14.9497 14.9497 15.0453 15.0453 16.7557 16.7557 18.0850 18.0850 k = 0.2163 0.1249 0.3533 ( 2503 PWs) bands (ev): -8.8298 -8.8298 -8.8041 -8.8041 -8.8005 -8.8005 -8.7863 -8.7863 -7.8241 -7.8241 -7.8160 -7.8160 -7.7872 -7.7872 -7.7504 -7.7504 -7.7283 -7.7283 -7.6988 -7.6988 3.1173 3.1173 6.1691 6.1691 8.1091 8.1091 8.7772 8.7772 9.3500 9.3500 9.9872 9.9872 10.3429 10.3429 11.3261 11.3261 13.6008 13.6008 14.9140 14.9140 15.0133 15.0133 16.7009 16.7009 18.0287 18.0287 k = 0.2091 0.1207 0.3415 ( 2507 PWs) bands (ev): -8.8303 -8.8303 -8.8056 -8.8056 -8.7997 -8.7997 -8.7864 -8.7864 -7.8249 -7.8249 -7.8181 -7.8181 -7.7902 -7.7902 -7.7466 -7.7466 -7.7265 -7.7265 -7.6970 -7.6970 3.0280 3.0280 6.2347 6.2347 8.1114 8.1114 8.7496 8.7496 9.3824 9.3824 10.0002 10.0002 10.4603 10.4603 11.3939 11.3939 13.7162 13.7162 14.7980 14.7980 15.0702 15.0702 16.6492 16.6492 17.9745 17.9745 k = 0.2019 0.1166 0.3297 ( 2507 PWs) bands (ev): -8.8309 -8.8309 -8.8072 -8.8072 -8.7989 -8.7989 -8.7865 -8.7865 -7.8257 -7.8257 -7.8202 -7.8202 -7.7931 -7.7931 -7.7428 -7.7428 -7.7246 -7.7246 -7.6953 -7.6953 2.9411 2.9411 6.3018 6.3018 8.1122 8.1122 8.7214 8.7214 9.4129 9.4129 10.0020 10.0020 10.5960 10.5960 11.4619 11.4619 13.8291 13.8291 14.6887 14.6887 15.1306 15.1306 16.6004 16.6004 17.9226 17.9226 k = 0.1947 0.1124 0.3180 ( 2509 PWs) bands (ev): -8.8315 -8.8315 -8.8089 -8.8089 -8.7980 -8.7980 -8.7865 -8.7865 -7.8266 -7.8266 -7.8223 -7.8223 -7.7961 -7.7961 -7.7388 -7.7388 -7.7227 -7.7227 -7.6936 -7.6936 2.8566 2.8566 6.3703 6.3703 8.1118 8.1118 8.6929 8.6929 9.4418 9.4418 9.9986 9.9986 10.7429 10.7429 11.5293 11.5293 13.9365 13.9365 14.5914 14.5914 15.1933 15.1933 16.5545 16.5545 17.8729 17.8729 k = 0.1875 0.1083 0.3062 ( 2509 PWs) bands (ev): -8.8321 -8.8321 -8.8107 -8.8107 -8.7971 -8.7971 -8.7865 -8.7865 -7.8277 -7.8277 -7.8241 -7.8241 -7.7989 -7.7989 -7.7348 -7.7348 -7.7208 -7.7208 -7.6919 -7.6919 2.7746 2.7746 6.4402 6.4402 8.1101 8.1101 8.6643 8.6643 9.4697 9.4697 9.9928 9.9928 10.8969 10.8969 11.5954 11.5954 14.0316 14.0316 14.5142 14.5142 15.2581 15.2581 16.5115 16.5115 17.8256 17.8256 k = 0.1803 0.1041 0.2944 ( 2515 PWs) bands (ev): -8.8327 -8.8327 -8.8125 -8.8125 -8.7963 -8.7963 -8.7866 -8.7866 -7.8290 -7.8290 -7.8257 -7.8257 -7.8017 -7.8017 -7.7308 -7.7308 -7.7189 -7.7189 -7.6903 -7.6903 2.6952 2.6952 6.5114 6.5114 8.1072 8.1072 8.6358 8.6358 9.4967 9.4967 9.9860 9.9860 11.0554 11.0554 11.6598 11.6598 14.0983 14.0983 14.4742 14.4742 15.3248 15.3248 16.4712 16.4712 17.7807 17.7807 k = 0.1731 0.0999 0.2826 ( 2511 PWs) bands (ev): -8.8333 -8.8333 -8.8143 -8.8143 -8.7955 -8.7955 -8.7866 -8.7866 -7.8306 -7.8306 -7.8269 -7.8269 -7.8045 -7.8045 -7.7269 -7.7269 -7.7170 -7.7170 -7.6886 -7.6886 2.6184 2.6184 6.5839 6.5839 8.1033 8.1033 8.6076 8.6076 9.5231 9.5231 9.9789 9.9789 11.2151 11.2151 11.7228 11.7228 14.1161 14.1161 14.4934 14.4934 15.3935 15.3935 16.4335 16.4335 17.7382 17.7382 k = 0.1659 0.0958 0.2709 ( 2511 PWs) bands (ev): -8.8339 -8.8339 -8.8161 -8.8161 -8.7947 -8.7947 -8.7866 -8.7866 -7.8324 -7.8324 -7.8279 -7.8279 -7.8071 -7.8071 -7.7229 -7.7229 -7.7152 -7.7152 -7.6870 -7.6870 2.5444 2.5444 6.6575 6.6575 8.0983 8.0983 8.5797 8.5797 9.5489 9.5489 9.9721 9.9721 11.3711 11.3711 11.7867 11.7867 14.0940 14.0940 14.5643 14.5643 15.4641 15.4641 16.3985 16.3985 17.6980 17.6980 k = 0.1587 0.0916 0.2591 ( 2511 PWs) bands (ev): -8.8346 -8.8346 -8.8180 -8.8180 -8.7940 -8.7940 -8.7866 -8.7866 -7.8343 -7.8343 -7.8288 -7.8288 -7.8097 -7.8097 -7.7190 -7.7190 -7.7133 -7.7133 -7.6855 -7.6855 2.4732 2.4732 6.7321 6.7321 8.0925 8.0925 8.5524 8.5524 9.5742 9.5742 9.9657 9.9657 11.5133 11.5133 11.8592 11.8592 14.0600 14.0600 14.6607 14.6607 15.5363 15.5363 16.3660 16.3660 17.6603 17.6603 k = 0.1514 0.0874 0.2473 ( 2519 PWs) bands (ev): -8.8352 -8.8352 -8.8198 -8.8198 -8.7933 -8.7933 -8.7865 -8.7865 -7.8361 -7.8361 -7.8296 -7.8296 -7.8122 -7.8122 -7.7153 -7.7153 -7.7114 -7.7114 -7.6839 -7.6839 2.4049 2.4049 6.8076 6.8076 8.0858 8.0858 8.5258 8.5258 9.5990 9.5990 9.9599 9.9599 11.6236 11.6236 11.9562 11.9562 14.0307 14.0307 14.7673 14.7673 15.6099 15.6099 16.3361 16.3361 17.6249 17.6249 k = 0.1442 0.0833 0.2355 ( 2523 PWs) bands (ev): -8.8358 -8.8358 -8.8216 -8.8216 -8.7927 -8.7927 -8.7865 -8.7865 -7.8379 -7.8379 -7.8303 -7.8303 -7.8145 -7.8145 -7.7121 -7.7121 -7.7091 -7.7091 -7.6825 -7.6825 2.3394 2.3394 6.8838 6.8838 8.0784 8.0784 8.4999 8.4999 9.6234 9.6234 9.9549 9.9549 11.6887 11.6887 12.0889 12.0889 14.0140 14.0140 14.8778 14.8778 15.6847 15.6847 16.3088 16.3088 17.5919 17.5919 k = 0.1370 0.0791 0.2238 ( 2519 PWs) bands (ev): -8.8365 -8.8365 -8.8234 -8.8234 -8.7920 -8.7920 -8.7865 -8.7865 -7.8397 -7.8397 -7.8310 -7.8310 -7.8168 -7.8168 -7.7097 -7.7097 -7.7062 -7.7062 -7.6810 -7.6810 2.2769 2.2769 6.9605 6.9605 8.0704 8.0704 8.4750 8.4750 9.6473 9.6473 9.9506 9.9506 11.7151 11.7151 12.2495 12.2495 14.0132 14.0132 14.9894 14.9894 15.7602 15.7602 16.2844 16.2844 17.5613 17.5613 k = 0.1298 0.0749 0.2120 ( 2521 PWs) bands (ev): -8.8371 -8.8371 -8.8252 -8.8252 -8.7914 -8.7914 -8.7865 -8.7865 -7.8414 -7.8414 -7.8317 -7.8317 -7.8189 -7.8189 -7.7078 -7.7078 -7.7028 -7.7028 -7.6796 -7.6796 2.2174 2.2174 7.0376 7.0376 8.0619 8.0619 8.4511 8.4511 9.6707 9.6707 9.9471 9.9471 11.7144 11.7144 12.4257 12.4257 14.0302 14.0302 15.1005 15.1005 15.8356 15.8356 16.2631 16.2631 17.5330 17.5330 k = 0.1226 0.0708 0.2002 ( 2521 PWs) bands (ev): -8.8377 -8.8377 -8.8269 -8.8269 -8.7909 -8.7909 -8.7865 -8.7865 -7.8431 -7.8431 -7.8323 -7.8323 -7.8210 -7.8210 -7.7063 -7.7063 -7.6994 -7.6994 -7.6783 -7.6783 2.1609 2.1609 7.1147 7.1147 8.0530 8.0530 8.4284 8.4284 9.6935 9.6935 9.9444 9.9444 11.6938 11.6938 12.6103 12.6103 14.0652 14.0652 15.2099 15.2099 15.9095 15.9095 16.2460 16.2460 17.5070 17.5070 k = 0.1154 0.0666 0.1884 ( 2523 PWs) bands (ev): -8.8383 -8.8383 -8.8286 -8.8286 -8.7903 -8.7903 -8.7864 -8.7864 -7.8446 -7.8446 -7.8330 -7.8330 -7.8229 -7.8229 -7.7048 -7.7048 -7.6960 -7.6960 -7.6770 -7.6770 2.1075 2.1075 7.1917 7.1917 8.0439 8.0439 8.4070 8.4070 9.7158 9.7158 9.9424 9.9424 11.6575 11.6575 12.7999 12.7999 14.1176 14.1176 15.3169 15.3169 15.9792 15.9792 16.2352 16.2352 17.4834 17.4834 k = 0.1082 0.0625 0.1766 ( 2523 PWs) bands (ev): -8.8389 -8.8389 -8.8303 -8.8303 -8.7898 -8.7898 -8.7864 -8.7864 -7.8461 -7.8461 -7.8335 -7.8335 -7.8248 -7.8248 -7.7035 -7.7035 -7.6927 -7.6927 -7.6758 -7.6758 2.0571 2.0571 7.2680 7.2680 8.0346 8.0346 8.3870 8.3870 9.7375 9.7375 9.9410 9.9410 11.6086 11.6086 12.9925 12.9925 14.1865 14.1865 15.4206 15.4206 16.0390 16.0390 16.2360 16.2360 17.4621 17.4621 k = 0.1010 0.0583 0.1649 ( 2533 PWs) bands (ev): -8.8394 -8.8394 -8.8318 -8.8318 -8.7894 -8.7894 -8.7864 -8.7864 -7.8475 -7.8475 -7.8341 -7.8341 -7.8265 -7.8265 -7.7023 -7.7023 -7.6896 -7.6896 -7.6746 -7.6746 2.0099 2.0099 7.3434 7.3434 8.0253 8.0253 8.3687 8.3687 9.7585 9.7585 9.9403 9.9403 11.5498 11.5498 13.1868 13.1868 14.2704 14.2704 15.5203 15.5203 16.0788 16.0788 16.2576 16.2576 17.4430 17.4430 k = 0.0938 0.0541 0.1531 ( 2525 PWs) bands (ev): -8.8399 -8.8399 -8.8333 -8.8333 -8.7889 -8.7889 -8.7864 -8.7864 -7.8488 -7.8488 -7.8346 -7.8346 -7.8281 -7.8281 -7.7012 -7.7012 -7.6866 -7.6866 -7.6735 -7.6735 1.9658 1.9658 7.4172 7.4172 8.0160 8.0160 8.3522 8.3522 9.7790 9.7790 9.9402 9.9402 11.4834 11.4834 13.3817 13.3817 14.3679 14.3679 15.6151 15.6151 16.0948 16.0948 16.3031 16.3031 17.4255 17.4255 k = 0.0865 0.0500 0.1413 ( 2525 PWs) bands (ev): -8.8404 -8.8404 -8.8348 -8.8348 -8.7885 -8.7885 -8.7863 -8.7863 -7.8500 -7.8500 -7.8351 -7.8351 -7.8296 -7.8296 -7.7001 -7.7001 -7.6837 -7.6837 -7.6725 -7.6725 1.9249 1.9249 7.4891 7.4891 8.0069 8.0069 8.3377 8.3377 9.7987 9.7987 9.9407 9.9407 11.4116 11.4116 13.5760 13.5760 14.4778 14.4778 15.7041 15.7041 16.0960 16.0960 16.3625 16.3625 17.4082 17.4082 k = 0.0793 0.0458 0.1295 ( 2525 PWs) bands (ev): -8.8409 -8.8409 -8.8361 -8.8361 -8.7881 -8.7881 -8.7863 -8.7863 -7.8512 -7.8512 -7.8356 -7.8356 -7.8309 -7.8309 -7.6992 -7.6992 -7.6811 -7.6811 -7.6715 -7.6715 1.8872 1.8872 7.5582 7.5582 7.9981 7.9981 8.3253 8.3253 9.8178 9.8178 9.9415 9.9415 11.3364 11.3364 13.7687 13.7687 14.5988 14.5988 15.7866 15.7866 16.0911 16.0911 16.4260 16.4260 17.3859 17.3859 k = 0.0721 0.0416 0.1178 ( 2527 PWs) bands (ev): -8.8414 -8.8414 -8.8373 -8.8373 -8.7878 -8.7878 -8.7863 -8.7863 -7.8522 -7.8522 -7.8360 -7.8360 -7.8322 -7.8322 -7.6983 -7.6983 -7.6786 -7.6786 -7.6707 -7.6707 1.8528 1.8528 7.6239 7.6239 7.9898 7.9898 8.3155 8.3155 9.8363 9.8363 9.9427 9.9427 11.2596 11.2596 13.9586 13.9586 14.7300 14.7300 15.8613 15.8613 16.0841 16.0841 16.4886 16.4886 17.3501 17.3501 k = 0.0649 0.0375 0.1060 ( 2527 PWs) bands (ev): -8.8418 -8.8418 -8.8385 -8.8385 -8.7875 -8.7875 -8.7863 -8.7863 -7.8531 -7.8531 -7.8364 -7.8364 -7.8333 -7.8333 -7.6975 -7.6975 -7.6763 -7.6763 -7.6699 -7.6699 1.8215 1.8215 7.6853 7.6853 7.9819 7.9819 8.3083 8.3083 9.8540 9.8540 9.9443 9.9443 11.1828 11.1828 14.1444 14.1444 14.8704 14.8704 15.9272 15.9272 16.0767 16.0767 16.5474 16.5474 17.3037 17.3037 k = 0.0577 0.0333 0.0942 ( 2517 PWs) bands (ev): -8.8421 -8.8421 -8.8395 -8.8395 -8.7872 -8.7872 -8.7863 -8.7863 -7.8540 -7.8540 -7.8368 -7.8368 -7.8343 -7.8343 -7.6968 -7.6968 -7.6743 -7.6743 -7.6692 -7.6692 1.7935 1.7935 7.7414 7.7414 7.9746 7.9746 8.3041 8.3041 9.8711 9.8711 9.9460 9.9460 11.1077 11.1077 14.3247 14.3247 15.0187 15.0187 15.9830 15.9830 16.0697 16.0697 16.6009 16.6009 17.2523 17.2523 k = 0.0505 0.0291 0.0824 ( 2509 PWs) bands (ev): -8.8425 -8.8425 -8.8404 -8.8404 -8.7870 -8.7870 -8.7862 -8.7862 -7.8547 -7.8547 -7.8371 -7.8371 -7.8352 -7.8352 -7.6962 -7.6962 -7.6725 -7.6725 -7.6685 -7.6685 1.7688 1.7688 7.7915 7.7915 7.9680 7.9680 8.3029 8.3029 9.8873 9.8873 9.9478 9.9478 11.0357 11.0357 14.4981 14.4981 15.1735 15.1735 16.0270 16.0270 16.0639 16.0639 16.6480 16.6480 17.1969 17.1969 k = 0.0433 0.0250 0.0707 ( 2509 PWs) bands (ev): -8.8427 -8.8427 -8.8413 -8.8413 -8.7868 -8.7868 -8.7862 -8.7862 -7.8554 -7.8554 -7.8374 -7.8374 -7.8360 -7.8360 -7.6956 -7.6956 -7.6709 -7.6709 -7.6680 -7.6680 1.7473 1.7473 7.8346 7.8346 7.9621 7.9621 8.3047 8.3047 9.9027 9.9027 9.9497 9.9497 10.9684 10.9684 14.6631 14.6631 15.3325 15.3325 16.0514 16.0514 16.0658 16.0658 16.6879 16.6879 17.1365 17.1365 k = 0.0361 0.0208 0.0589 ( 2513 PWs) bands (ev): -8.8430 -8.8430 -8.8420 -8.8420 -8.7866 -8.7866 -8.7862 -8.7862 -7.8559 -7.8559 -7.8376 -7.8376 -7.8366 -7.8366 -7.6952 -7.6952 -7.6695 -7.6695 -7.6675 -7.6675 1.7291 1.7291 7.8703 7.8703 7.9569 7.9569 8.3091 8.3091 9.9169 9.9169 9.9515 9.9515 10.9073 10.9073 14.8178 14.8178 15.4926 15.4926 16.0500 16.0500 16.0806 16.0806 16.7207 16.7207 17.0705 17.0705 k = 0.0288 0.0167 0.0471 ( 2505 PWs) bands (ev): -8.8432 -8.8432 -8.8425 -8.8425 -8.7865 -8.7865 -8.7862 -8.7862 -7.8563 -7.8563 -7.8378 -7.8378 -7.8372 -7.8372 -7.6948 -7.6948 -7.6684 -7.6684 -7.6671 -7.6671 1.7142 1.7142 7.8986 7.8986 7.9527 7.9527 8.3153 8.3153 9.9298 9.9298 9.9531 9.9531 10.8541 10.8541 14.9596 14.9596 15.6491 15.6491 16.0464 16.0464 16.0847 16.0847 16.7465 16.7465 16.9997 16.9997 k = 0.0216 0.0125 0.0353 ( 2489 PWs) bands (ev): -8.8434 -8.8434 -8.8430 -8.8430 -8.7863 -8.7863 -8.7862 -8.7862 -7.8567 -7.8567 -7.8379 -7.8379 -7.8376 -7.8376 -7.6945 -7.6945 -7.6675 -7.6675 -7.6668 -7.6668 1.7027 1.7027 7.9196 7.9196 7.9493 7.9493 8.3222 8.3222 9.9407 9.9407 9.9544 9.9544 10.8104 10.8104 15.0843 15.0843 15.7953 15.7953 16.0433 16.0433 16.0764 16.0764 16.7659 16.7659 16.9276 16.9276 k = 0.0144 0.0083 0.0236 ( 2483 PWs) bands (ev): -8.8435 -8.8435 -8.8433 -8.8433 -8.7863 -8.7863 -8.7862 -8.7862 -7.8569 -7.8569 -7.8381 -7.8381 -7.8379 -7.8379 -7.6943 -7.6943 -7.6669 -7.6669 -7.6666 -7.6666 1.6944 1.6944 7.9339 7.9339 7.9469 7.9469 8.3284 8.3284 9.9491 9.9491 9.9554 9.9554 10.7777 10.7777 15.1853 15.1853 15.9207 15.9207 16.0412 16.0412 16.0598 16.0598 16.7793 16.7793 16.8605 16.8605 k = 0.0072 0.0042 0.0118 ( 2457 PWs) bands (ev): -8.8435 -8.8435 -8.8435 -8.8435 -8.7862 -8.7862 -8.7862 -8.7862 -7.8571 -7.8571 -7.8381 -7.8381 -7.8381 -7.8381 -7.6942 -7.6942 -7.6665 -7.6665 -7.6664 -7.6664 1.6894 1.6894 7.9423 7.9423 7.9455 7.9455 8.3327 8.3327 9.9545 9.9545 9.9561 9.9561 10.7575 10.7575 15.2531 15.2531 16.0091 16.0091 16.0404 16.0404 16.0432 16.0432 16.7871 16.7871 16.8095 16.8095 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -8.8436 -8.8436 -8.8436 -8.8436 -8.7862 -8.7862 -8.7862 -8.7862 -7.8571 -7.8571 -7.8381 -7.8381 -7.8381 -7.8381 -7.6941 -7.6941 -7.6664 -7.6664 -7.6664 -7.6664 1.6877 1.6877 7.9450 7.9450 7.9450 7.9450 8.3342 8.3342 9.9563 9.9563 9.9563 9.9563 10.7507 10.7507 15.2773 15.2773 16.0360 16.0360 16.0360 16.0360 16.0461 16.0461 16.7897 16.7897 16.7897 16.7897 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -8.8436 -8.8436 -8.8436 -8.8436 -8.7862 -8.7862 -8.7862 -8.7862 -7.8571 -7.8571 -7.8381 -7.8381 -7.8381 -7.8381 -7.6941 -7.6941 -7.6664 -7.6664 -7.6664 -7.6664 1.6877 1.6877 7.9450 7.9450 7.9450 7.9450 8.3342 8.3342 9.9563 9.9563 9.9563 9.9563 10.7507 10.7507 15.2773 15.2773 16.0360 16.0360 16.0360 16.0360 16.0461 16.0461 16.7897 16.7897 16.7897 16.7897 k = 0.0116 0.0067 0.0047 ( 2454 PWs) bands (ev): -8.8435 -8.8435 -8.8435 -8.8435 -8.7862 -8.7862 -8.7862 -8.7862 -7.8571 -7.8571 -7.8381 -7.8381 -7.8381 -7.8381 -7.6942 -7.6942 -7.6665 -7.6665 -7.6665 -7.6665 1.6894 1.6894 7.9423 7.9423 7.9455 7.9455 8.3327 8.3327 9.9544 9.9544 9.9562 9.9562 10.7573 10.7573 15.2536 15.2536 16.0163 16.0163 16.0256 16.0256 16.0513 16.0513 16.7955 16.7955 16.8007 16.8007 k = 0.0233 0.0134 0.0095 ( 2478 PWs) bands (ev): -8.8434 -8.8434 -8.8434 -8.8434 -8.7863 -8.7863 -8.7862 -8.7862 -7.8569 -7.8569 -7.8380 -7.8380 -7.8380 -7.8380 -7.6943 -7.6943 -7.6667 -7.6667 -7.6667 -7.6667 1.6942 1.6942 7.9341 7.9341 7.9470 7.9470 8.3285 8.3285 9.9488 9.9488 9.9559 9.9559 10.7770 10.7770 15.1870 15.1870 15.9417 15.9417 15.9957 15.9957 16.0871 16.0871 16.8113 16.8113 16.8265 16.8265 k = 0.0349 0.0201 0.0142 ( 2502 PWs) bands (ev): -8.8432 -8.8432 -8.8431 -8.8431 -8.7863 -8.7863 -8.7862 -8.7862 -7.8567 -7.8567 -7.8378 -7.8378 -7.8378 -7.8378 -7.6945 -7.6945 -7.6672 -7.6672 -7.6671 -7.6671 1.7023 1.7023 7.9199 7.9199 7.9494 7.9494 8.3225 8.3225 9.9400 9.9400 9.9555 9.9555 10.8089 10.8089 15.0863 15.0863 15.8374 15.8374 15.9495 15.9495 16.1364 16.1364 16.8333 16.8333 16.8539 16.8539 k = 0.0465 0.0269 0.0190 ( 2511 PWs) bands (ev): -8.8430 -8.8430 -8.8428 -8.8428 -8.7864 -8.7864 -8.7862 -8.7862 -7.8564 -7.8564 -7.8375 -7.8375 -7.8375 -7.8375 -7.6948 -7.6948 -7.6678 -7.6678 -7.6676 -7.6676 1.7136 1.7136 7.8991 7.8991 7.9528 7.9528 8.3160 8.3160 9.9286 9.9286 9.9550 9.9550 10.8515 10.8515 14.9600 14.9600 15.7187 15.7187 15.8909 15.8909 16.1906 16.1906 16.8573 16.8573 16.8739 16.8739 k = 0.0581 0.0336 0.0237 ( 2517 PWs) bands (ev): -8.8426 -8.8426 -8.8424 -8.8424 -8.7866 -8.7866 -8.7862 -8.7862 -7.8559 -7.8559 -7.8372 -7.8372 -7.8371 -7.8371 -7.6951 -7.6951 -7.6686 -7.6686 -7.6683 -7.6683 1.7281 1.7281 7.8710 7.8710 7.9572 7.9572 8.3102 8.3102 9.9153 9.9153 9.9543 9.9543 10.9033 10.9033 14.8144 14.8144 15.5947 15.5947 15.8229 15.8229 16.2437 16.2437 16.8792 16.8792 16.8833 16.8833 k = 0.0698 0.0403 0.0285 ( 2514 PWs) bands (ev): -8.8422 -8.8422 -8.8419 -8.8419 -8.7867 -8.7867 -8.7863 -8.7863 -7.8554 -7.8554 -7.8368 -7.8368 -7.8367 -7.8367 -7.6956 -7.6956 -7.6696 -7.6696 -7.6691 -7.6691 1.7458 1.7458 7.8352 7.8352 7.9625 7.9625 8.3063 8.3063 9.9005 9.9005 9.9536 9.9536 10.9628 10.9628 14.6547 14.6547 15.4704 15.4704 15.7483 15.7483 16.2917 16.2917 16.8817 16.8817 16.8963 16.8963 k = 0.0814 0.0470 0.0332 ( 2514 PWs) bands (ev): -8.8417 -8.8417 -8.8413 -8.8413 -8.7869 -8.7869 -8.7863 -8.7863 -7.8548 -7.8548 -7.8363 -7.8363 -7.8361 -7.8361 -7.6961 -7.6961 -7.6707 -7.6707 -7.6701 -7.6701 1.7667 1.7667 7.7918 7.7918 7.9686 7.9686 8.3052 8.3052 9.8846 9.8846 9.9529 9.9529 11.0281 11.0281 14.4850 14.4850 15.3480 15.3480 15.6688 15.6688 16.3321 16.3321 16.8702 16.8702 16.9070 16.9070 k = 0.0930 0.0537 0.0380 ( 2514 PWs) bands (ev): -8.8412 -8.8412 -8.8406 -8.8406 -8.7871 -8.7871 -8.7863 -8.7863 -7.8540 -7.8540 -7.8357 -7.8357 -7.8355 -7.8355 -7.6967 -7.6967 -7.6720 -7.6720 -7.6712 -7.6712 1.7908 1.7908 7.7412 7.7412 7.9756 7.9756 8.3072 8.3072 9.8679 9.8679 9.9522 9.9522 11.0978 11.0978 14.3093 14.3093 15.2281 15.2281 15.5857 15.5857 16.3630 16.3630 16.8508 16.8508 16.9108 16.9108 k = 0.1047 0.0604 0.0427 ( 2514 PWs) bands (ev): -8.8406 -8.8406 -8.8398 -8.8398 -8.7874 -8.7874 -8.7864 -8.7864 -7.8532 -7.8532 -7.8350 -7.8350 -7.8348 -7.8348 -7.6975 -7.6975 -7.6734 -7.6734 -7.6725 -7.6725 1.8181 1.8181 7.6841 7.6841 7.9833 7.9833 8.3124 8.3124 9.8506 9.8506 9.9517 9.9517 11.1700 11.1700 14.1310 14.1310 15.1108 15.1108 15.5001 15.5001 16.3830 16.3830 16.8257 16.8257 16.9078 16.9078 k = 0.1163 0.0671 0.0475 ( 2508 PWs) bands (ev): -8.8399 -8.8399 -8.8390 -8.8390 -8.7876 -8.7876 -8.7864 -8.7864 -7.8523 -7.8523 -7.8343 -7.8343 -7.8341 -7.8341 -7.6982 -7.6982 -7.6751 -7.6751 -7.6739 -7.6739 1.8485 1.8485 7.6213 7.6213 7.9918 7.9918 8.3206 8.3206 9.8327 9.8327 9.9514 9.9514 11.2430 11.2430 13.9531 13.9531 14.9958 14.9958 15.4125 15.4125 16.3913 16.3913 16.7975 16.7975 16.8986 16.8986 k = 0.1279 0.0738 0.0522 ( 2520 PWs) bands (ev): -8.8391 -8.8391 -8.8381 -8.8381 -8.7879 -8.7879 -8.7865 -8.7865 -7.8512 -7.8512 -7.8335 -7.8335 -7.8332 -7.8332 -7.6991 -7.6991 -7.6768 -7.6768 -7.6755 -7.6755 1.8820 1.8820 7.5537 7.5537 8.0009 8.0009 8.3316 8.3316 9.8145 9.8145 9.9513 9.9513 11.3147 11.3147 13.7788 13.7788 14.8827 14.8827 15.3236 15.3236 16.3869 16.3869 16.7688 16.7688 16.8843 16.8843 k = 0.1395 0.0806 0.0570 ( 2526 PWs) bands (ev): -8.8383 -8.8383 -8.8371 -8.8371 -8.7882 -8.7882 -8.7865 -8.7865 -7.8501 -7.8501 -7.8327 -7.8327 -7.8323 -7.8323 -7.7001 -7.7001 -7.6787 -7.6787 -7.6771 -7.6771 1.9187 1.9187 7.4820 7.4820 8.0106 8.0106 8.3451 8.3451 9.7958 9.7958 9.9516 9.9516 11.3828 11.3828 13.6111 13.6111 14.7714 14.7714 15.2336 15.2336 16.3697 16.3697 16.7421 16.7421 16.8656 16.8656 k = 0.1512 0.0873 0.0617 ( 2523 PWs) bands (ev): -8.8374 -8.8374 -8.8360 -8.8360 -8.7885 -8.7885 -8.7866 -8.7866 -7.8489 -7.8489 -7.8318 -7.8318 -7.8312 -7.8312 -7.7012 -7.7012 -7.6808 -7.6808 -7.6789 -7.6789 1.9584 1.9584 7.4070 7.4070 8.0207 8.0207 8.3608 8.3608 9.7768 9.7768 9.9524 9.9524 11.4441 11.4441 13.4536 13.4536 14.6616 14.6616 15.1430 15.1430 16.3401 16.3401 16.7188 16.7188 16.8435 16.8435 k = 0.1628 0.0940 0.0665 ( 2523 PWs) bands (ev): -8.8365 -8.8365 -8.8349 -8.8349 -8.7888 -8.7888 -8.7867 -8.7867 -7.8476 -7.8476 -7.8308 -7.8308 -7.8301 -7.8301 -7.7023 -7.7023 -7.6830 -7.6830 -7.6809 -7.6809 2.0012 2.0012 7.3293 7.3293 8.0313 8.0313 8.3786 8.3786 9.7575 9.7575 9.9537 9.9537 11.4949 11.4949 13.3102 13.3102 14.5531 14.5531 15.0520 15.0520 16.2997 16.2997 16.6992 16.6992 16.8187 16.8187 k = 0.1744 0.1007 0.0712 ( 2529 PWs) bands (ev): -8.8355 -8.8355 -8.8338 -8.8338 -8.7891 -8.7891 -8.7868 -8.7868 -7.8461 -7.8461 -7.8297 -7.8297 -7.8290 -7.8290 -7.7036 -7.7036 -7.6853 -7.6853 -7.6829 -7.6829 2.0470 2.0470 7.2492 7.2492 8.0423 8.0423 8.3981 8.3981 9.7378 9.7378 9.9556 9.9556 11.5308 11.5308 13.1858 13.1858 14.4459 14.4459 14.9609 14.9609 16.2505 16.2505 16.6828 16.6828 16.7919 16.7919 k = 0.1860 0.1074 0.0760 ( 2526 PWs) bands (ev): -8.8345 -8.8345 -8.8326 -8.8326 -8.7895 -8.7895 -8.7869 -8.7869 -7.8446 -7.8446 -7.8286 -7.8286 -7.8277 -7.8277 -7.7050 -7.7050 -7.6877 -7.6877 -7.6851 -7.6851 2.0958 2.0958 7.1672 7.1672 8.0535 8.0535 8.4191 8.4191 9.7179 9.7179 9.9583 9.9583 11.5466 11.5466 13.0856 13.0856 14.3400 14.3400 14.8697 14.8697 16.1946 16.1946 16.6688 16.6688 16.7637 16.7637 k = 0.1977 0.1141 0.0807 ( 2520 PWs) bands (ev): -8.8334 -8.8334 -8.8313 -8.8313 -8.7898 -8.7898 -8.7871 -8.7871 -7.8430 -7.8430 -7.8274 -7.8274 -7.8264 -7.8264 -7.7064 -7.7064 -7.6902 -7.6902 -7.6873 -7.6873 2.1475 2.1475 7.0836 7.0836 8.0648 8.0648 8.4415 8.4415 9.6978 9.6978 9.9617 9.9617 11.5380 11.5380 13.0142 13.0142 14.2354 14.2354 14.7788 14.7788 16.1340 16.1340 16.6565 16.6565 16.7346 16.7346 k = 0.2093 0.1208 0.0854 ( 2520 PWs) bands (ev): -8.8323 -8.8323 -8.8301 -8.8301 -8.7902 -8.7902 -8.7872 -8.7872 -7.8413 -7.8413 -7.8261 -7.8261 -7.8250 -7.8250 -7.7080 -7.7080 -7.6929 -7.6929 -7.6897 -7.6897 2.2022 2.2022 6.9987 6.9987 8.0763 8.0763 8.4651 8.4651 9.6774 9.6774 9.9660 9.9660 11.5028 11.5028 12.9739 12.9739 14.1321 14.1321 14.6882 14.6882 16.0701 16.0701 16.6453 16.6453 16.7049 16.7049 k = 0.2209 0.1276 0.0902 ( 2514 PWs) bands (ev): -8.8312 -8.8312 -8.8288 -8.8288 -8.7905 -8.7905 -8.7874 -8.7874 -7.8395 -7.8395 -7.8247 -7.8247 -7.8235 -7.8235 -7.7096 -7.7096 -7.6956 -7.6956 -7.6922 -7.6922 2.2596 2.2596 6.9126 6.9126 8.0877 8.0877 8.4896 8.4896 9.6567 9.6567 9.9713 9.9713 11.4422 11.4422 12.9634 12.9634 14.0301 14.0301 14.5982 14.5982 16.0042 16.0042 16.6348 16.6348 16.6751 16.6751 k = 0.2326 0.1343 0.0949 ( 2517 PWs) bands (ev): -8.8300 -8.8300 -8.8275 -8.8275 -8.7908 -8.7908 -8.7876 -8.7876 -7.8377 -7.8377 -7.8233 -7.8233 -7.8219 -7.8219 -7.7114 -7.7114 -7.6984 -7.6984 -7.6947 -7.6947 2.3199 2.3199 6.8256 6.8256 8.0991 8.0991 8.5149 8.5149 9.6358 9.6358 9.9775 9.9775 11.3606 11.3606 12.9787 12.9787 13.9297 13.9297 14.5090 14.5090 15.9369 15.9369 16.6248 16.6248 16.6454 16.6454 k = 0.2442 0.1410 0.0997 ( 2517 PWs) bands (ev): -8.8288 -8.8288 -8.8262 -8.8262 -8.7912 -8.7912 -8.7878 -8.7878 -7.8357 -7.8357 -7.8218 -7.8218 -7.8202 -7.8202 -7.7133 -7.7133 -7.7013 -7.7013 -7.6974 -7.6974 2.3829 2.3829 6.7376 6.7376 8.1103 8.1103 8.5407 8.5407 9.6146 9.6146 9.9848 9.9848 11.2637 11.2637 13.0141 13.0141 13.8310 13.8310 14.4207 14.4207 15.8690 15.8690 16.6152 16.6152 16.6161 16.6161 k = 0.2558 0.1477 0.1044 ( 2511 PWs) bands (ev): -8.8275 -8.8275 -8.8248 -8.8248 -8.7915 -8.7915 -8.7880 -8.7880 -7.8337 -7.8337 -7.8202 -7.8202 -7.8185 -7.8185 -7.7153 -7.7153 -7.7042 -7.7042 -7.7001 -7.7001 2.4485 2.4485 6.6489 6.6489 8.1212 8.1212 8.5669 8.5669 9.5930 9.5930 9.9932 9.9932 11.1573 11.1573 13.0640 13.0640 13.7341 13.7341 14.3336 14.3336 15.8009 15.8009 16.5874 16.5874 16.6060 16.6060 k = 0.2674 0.1544 0.1092 ( 2505 PWs) bands (ev): -8.8263 -8.8263 -8.8235 -8.8235 -8.7918 -8.7918 -8.7883 -8.7883 -7.8315 -7.8315 -7.8186 -7.8186 -7.8167 -7.8167 -7.7174 -7.7174 -7.7071 -7.7071 -7.7029 -7.7029 2.5167 2.5167 6.5595 6.5595 8.1319 8.1319 8.5933 8.5933 9.5711 9.5711 10.0026 10.0026 11.0460 11.0460 13.1240 13.1240 13.6394 13.6394 14.2478 14.2478 15.7330 15.7330 16.5595 16.5595 16.5971 16.5971 k = 0.2791 0.1611 0.1139 ( 2505 PWs) bands (ev): -8.8250 -8.8250 -8.8222 -8.8222 -8.7921 -8.7921 -8.7886 -8.7886 -7.8293 -7.8293 -7.8169 -7.8169 -7.8148 -7.8148 -7.7197 -7.7197 -7.7101 -7.7101 -7.7058 -7.7058 2.5874 2.5874 6.4693 6.4693 8.1421 8.1421 8.6195 8.6195 9.5486 9.5486 10.0131 10.0131 10.9336 10.9336 13.1900 13.1900 13.5473 13.5473 14.1635 14.1635 15.6656 15.6656 16.5325 16.5325 16.5885 16.5885 k = 0.2907 0.1678 0.1187 ( 2497 PWs) bands (ev): -8.8237 -8.8237 -8.8209 -8.8209 -8.7924 -8.7924 -8.7889 -8.7889 -7.8271 -7.8271 -7.8150 -7.8150 -7.8129 -7.8129 -7.7221 -7.7221 -7.7131 -7.7131 -7.7087 -7.7087 2.6605 2.6605 6.3785 6.3785 8.1519 8.1519 8.6455 8.6455 9.5254 9.5254 10.0247 10.0247 10.8230 10.8230 13.2579 13.2579 13.4600 13.4600 14.0811 14.0811 15.5988 15.5988 16.5066 16.5066 16.5803 16.5803 k = 0.3023 0.1745 0.1234 ( 2497 PWs) bands (ev): -8.8223 -8.8223 -8.8197 -8.8197 -8.7927 -8.7927 -8.7893 -8.7893 -7.8248 -7.8248 -7.8131 -7.8131 -7.8108 -7.8108 -7.7246 -7.7246 -7.7161 -7.7161 -7.7117 -7.7117 2.7358 2.7358 6.2870 6.2870 8.1612 8.1612 8.6709 8.6709 9.5013 9.5013 10.0373 10.0373 10.7164 10.7164 13.3091 13.3091 13.3943 13.3943 14.0006 14.0006 15.5328 15.5328 16.4817 16.4817 16.5724 16.5724 k = 0.3140 0.1813 0.1282 ( 2491 PWs) bands (ev): -8.8210 -8.8210 -8.8184 -8.8184 -8.7930 -8.7930 -8.7897 -8.7897 -7.8224 -7.8224 -7.8112 -7.8112 -7.8087 -7.8087 -7.7273 -7.7273 -7.7191 -7.7191 -7.7147 -7.7147 2.8132 2.8132 6.1950 6.1950 8.1700 8.1700 8.6955 8.6955 9.4761 9.4761 10.0508 10.0508 10.6156 10.6156 13.2648 13.2648 13.4279 13.4279 13.9224 13.9224 15.4677 15.4677 16.4581 16.4581 16.5649 16.5649 k = 0.3256 0.1880 0.1329 ( 2482 PWs) bands (ev): -8.8197 -8.8197 -8.8173 -8.8173 -8.7932 -8.7932 -8.7901 -8.7901 -7.8200 -7.8200 -7.8091 -7.8091 -7.8066 -7.8066 -7.7301 -7.7301 -7.7220 -7.7220 -7.7178 -7.7178 2.8926 2.8926 6.1025 6.1025 8.1782 8.1782 8.7192 8.7192 9.4495 9.4495 10.0651 10.0651 10.5221 10.5221 13.1870 13.1870 13.4982 13.4982 13.8466 13.8466 15.4036 15.4036 16.4358 16.4358 16.5578 16.5578 k = 0.3372 0.1947 0.1377 ( 2473 PWs) bands (ev): -8.8184 -8.8184 -8.8161 -8.8161 -8.7934 -8.7934 -8.7906 -8.7906 -7.8175 -7.8175 -7.8069 -7.8069 -7.8043 -7.8043 -7.7330 -7.7330 -7.7250 -7.7250 -7.7209 -7.7209 2.9738 2.9738 6.0095 6.0095 8.1859 8.1859 8.7415 8.7415 9.4215 9.4215 10.0800 10.0800 10.4368 10.4368 13.1085 13.1085 13.5717 13.5717 13.7737 13.7737 15.3406 15.3406 16.4148 16.4148 16.5511 16.5511 k = 0.3488 0.2014 0.1424 ( 2482 PWs) bands (ev): -8.8170 -8.8170 -8.8151 -8.8151 -8.7936 -8.7936 -8.7910 -8.7910 -7.8150 -7.8150 -7.8046 -7.8046 -7.8020 -7.8020 -7.7360 -7.7360 -7.7279 -7.7279 -7.7240 -7.7240 3.0565 3.0565 5.9161 5.9161 8.1929 8.1929 8.7624 8.7624 9.3920 9.3920 10.0955 10.0955 10.3606 10.3606 13.0325 13.0325 13.6452 13.6452 13.7038 13.7038 15.2785 15.2785 16.3951 16.3951 16.5449 16.5449 k = 0.3605 0.2081 0.1472 ( 2482 PWs) bands (ev): -8.8157 -8.8157 -8.8141 -8.8141 -8.7938 -8.7938 -8.7916 -8.7916 -7.8125 -7.8125 -7.8023 -7.8023 -7.7997 -7.7997 -7.7391 -7.7391 -7.7308 -7.7308 -7.7272 -7.7272 3.1405 3.1405 5.8226 5.8226 8.1993 8.1993 8.7816 8.7816 9.3610 9.3610 10.1112 10.1112 10.2939 10.2939 12.9597 12.9597 13.6373 13.6373 13.7177 13.7177 15.2176 15.2176 16.3768 16.3768 16.5390 16.5390 k = 0.3721 0.2148 0.1519 ( 2494 PWs) bands (ev): -8.8144 -8.8144 -8.8131 -8.8131 -8.7939 -8.7939 -8.7921 -8.7921 -7.8099 -7.8099 -7.7998 -7.7998 -7.7972 -7.7972 -7.7423 -7.7423 -7.7337 -7.7337 -7.7304 -7.7304 3.2255 3.2255 5.7291 5.7291 8.2051 8.2051 8.7990 8.7990 9.3289 9.3289 10.1271 10.1271 10.2369 10.2369 12.8908 12.8908 13.5744 13.5744 13.7889 13.7889 15.1577 15.1577 16.3600 16.3600 16.5337 16.5337 k = 0.3837 0.2215 0.1567 ( 2494 PWs) bands (ev): -8.8131 -8.8131 -8.8123 -8.8123 -8.7940 -8.7940 -8.7927 -8.7927 -7.8073 -7.8073 -7.7973 -7.7973 -7.7947 -7.7947 -7.7455 -7.7455 -7.7366 -7.7366 -7.7336 -7.7336 3.3111 3.3111 5.6360 5.6360 8.2104 8.2104 8.8144 8.8144 9.2962 9.2962 10.1429 10.1429 10.1891 10.1891 12.8261 12.8261 13.5155 13.5155 13.8583 13.8583 15.0988 15.0988 16.3446 16.3446 16.5288 16.5288 k = 0.3953 0.2283 0.1614 ( 2482 PWs) bands (ev): -8.8118 -8.8118 -8.8115 -8.8115 -8.7941 -8.7941 -8.7934 -8.7934 -7.8047 -7.8047 -7.7947 -7.7947 -7.7922 -7.7922 -7.7487 -7.7487 -7.7395 -7.7395 -7.7367 -7.7367 3.3968 3.3968 5.5437 5.5437 8.2151 8.2151 8.8277 8.8277 9.2636 9.2636 10.1502 10.1502 10.1583 10.1583 12.7661 12.7661 13.4610 13.4610 13.9259 13.9259 15.0411 15.0411 16.3307 16.3307 16.5243 16.5243 k = 0.4070 0.2350 0.1661 ( 2479 PWs) bands (ev): -8.8108 -8.8108 -8.8106 -8.8106 -8.7942 -8.7942 -8.7940 -8.7940 -7.8020 -7.8020 -7.7920 -7.7920 -7.7896 -7.7896 -7.7520 -7.7520 -7.7424 -7.7424 -7.7399 -7.7399 3.4819 3.4819 5.4528 5.4528 8.2192 8.2192 8.8389 8.8389 9.2320 9.2320 10.1191 10.1191 10.1731 10.1731 12.7110 12.7110 13.4110 13.4110 13.9915 13.9915 14.9844 14.9844 16.3182 16.3182 16.5203 16.5203 k = 0.4186 0.2417 0.1709 ( 2485 PWs) bands (ev): -8.8102 -8.8102 -8.8093 -8.8093 -8.7947 -8.7947 -8.7942 -8.7942 -7.7993 -7.7993 -7.7893 -7.7893 -7.7869 -7.7869 -7.7552 -7.7552 -7.7454 -7.7454 -7.7431 -7.7431 3.5656 3.5656 5.3640 5.3640 8.2227 8.2227 8.8478 8.8478 9.2024 9.2024 10.0948 10.0948 10.1869 10.1869 12.6612 12.6612 13.3660 13.3660 14.0550 14.0550 14.9288 14.9288 16.3072 16.3072 16.5168 16.5168 k = 0.4302 0.2484 0.1756 ( 2485 PWs) bands (ev): -8.8097 -8.8097 -8.8081 -8.8081 -8.7955 -8.7955 -8.7943 -8.7943 -7.7966 -7.7966 -7.7866 -7.7866 -7.7842 -7.7842 -7.7584 -7.7584 -7.7483 -7.7483 -7.7463 -7.7463 3.6468 3.6468 5.2785 5.2785 8.2257 8.2257 8.8547 8.8547 9.1755 9.1755 10.0764 10.0764 10.1996 10.1996 12.6172 12.6172 13.3262 13.3262 14.1161 14.1161 14.8745 14.8745 16.2976 16.2976 16.5137 16.5137 k = 0.4419 0.2551 0.1804 ( 2482 PWs) bands (ev): -8.8092 -8.8092 -8.8070 -8.8070 -8.7963 -8.7963 -8.7943 -8.7943 -7.7939 -7.7939 -7.7838 -7.7838 -7.7815 -7.7815 -7.7616 -7.7616 -7.7512 -7.7512 -7.7494 -7.7494 3.7238 3.7238 5.1979 5.1979 8.2283 8.2283 8.8596 8.8596 9.1522 9.1522 10.0628 10.0628 10.2109 10.2109 12.5793 12.5793 13.2920 13.2920 14.1747 14.1747 14.8218 14.8218 16.2895 16.2895 16.5111 16.5111 k = 0.4535 0.2618 0.1851 ( 2488 PWs) bands (ev): -8.8088 -8.8088 -8.8058 -8.8058 -8.7970 -8.7970 -8.7943 -8.7943 -7.7912 -7.7912 -7.7811 -7.7811 -7.7788 -7.7788 -7.7647 -7.7647 -7.7540 -7.7540 -7.7524 -7.7524 3.7946 3.7946 5.1242 5.1242 8.2303 8.2303 8.8628 8.8628 9.1329 9.1329 10.0531 10.0531 10.2205 10.2205 12.5477 12.5477 13.2636 13.2636 14.2300 14.2300 14.7713 14.7713 16.2829 16.2829 16.5090 16.5090 k = 0.4651 0.2685 0.1899 ( 2494 PWs) bands (ev): -8.8086 -8.8086 -8.8048 -8.8048 -8.7978 -8.7978 -8.7943 -8.7943 -7.7885 -7.7885 -7.7785 -7.7785 -7.7761 -7.7761 -7.7676 -7.7676 -7.7567 -7.7567 -7.7553 -7.7553 3.8561 3.8561 5.0603 5.0603 8.2318 8.2318 8.8646 8.8646 9.1178 9.1178 10.0464 10.0464 10.2282 10.2282 12.5229 12.5229 13.2413 13.2413 14.2808 14.2808 14.7241 14.7241 16.2778 16.2778 16.5073 16.5073 k = 0.4767 0.2752 0.1946 ( 2494 PWs) bands (ev): -8.8084 -8.8084 -8.8038 -8.8038 -8.7986 -8.7986 -8.7943 -8.7943 -7.7860 -7.7860 -7.7761 -7.7761 -7.7736 -7.7736 -7.7702 -7.7702 -7.7592 -7.7592 -7.7580 -7.7580 3.9048 3.9048 5.0101 5.0101 8.2330 8.2330 8.8655 8.8655 9.1072 9.1072 10.0421 10.0421 10.2338 10.2338 12.5049 12.5049 13.2252 13.2252 14.3247 14.3247 14.6829 14.6829 16.2741 16.2741 16.5061 16.5061 k = 0.4884 0.2820 0.1994 ( 2494 PWs) bands (ev): -8.8083 -8.8083 -8.8031 -8.8031 -8.7992 -8.7992 -8.7943 -8.7943 -7.7839 -7.7839 -7.7746 -7.7746 -7.7721 -7.7721 -7.7716 -7.7716 -7.7611 -7.7611 -7.7601 -7.7601 3.9363 3.9363 4.9775 4.9775 8.2336 8.2336 8.8658 8.8658 9.1008 9.1008 10.0397 10.0397 10.2372 10.2372 12.4941 12.4941 13.2154 13.2154 14.3565 14.3565 14.6526 14.6526 16.2719 16.2719 16.5054 16.5054 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -8.8082 -8.8082 -8.8028 -8.8028 -8.7995 -8.7995 -8.7943 -8.7943 -7.7830 -7.7830 -7.7745 -7.7745 -7.7723 -7.7723 -7.7707 -7.7707 -7.7619 -7.7619 -7.7611 -7.7611 3.9473 3.9473 4.9662 4.9662 8.2338 8.2338 8.8659 8.8659 9.0987 9.0987 10.0389 10.0389 10.2384 10.2384 12.4905 12.4905 13.2122 13.2122 14.3686 14.3686 14.6410 14.6410 16.2712 16.2712 16.5052 16.5052 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -8.8082 -8.8082 -8.8028 -8.8028 -8.7995 -8.7995 -8.7943 -8.7943 -7.7830 -7.7830 -7.7745 -7.7745 -7.7723 -7.7723 -7.7707 -7.7707 -7.7619 -7.7619 -7.7611 -7.7611 3.9473 3.9473 4.9662 4.9662 8.2338 8.2338 8.8659 8.8659 9.0987 9.0987 10.0389 10.0389 10.2384 10.2384 12.4905 12.4905 13.2122 13.2122 14.3686 14.3686 14.6410 14.6410 16.2712 16.2712 16.5052 16.5052 k = 0.5042 0.2766 0.2109 ( 2496 PWs) bands (ev): -8.8083 -8.8083 -8.8029 -8.8029 -8.7994 -8.7994 -8.7942 -8.7942 -7.7831 -7.7831 -7.7754 -7.7754 -7.7727 -7.7727 -7.7700 -7.7700 -7.7617 -7.7617 -7.7607 -7.7607 3.9491 3.9491 4.9669 4.9669 8.2338 8.2338 8.8657 8.8657 9.0977 9.0977 10.0373 10.0373 10.2377 10.2377 12.4817 12.4817 13.1982 13.1982 14.3678 14.3678 14.6601 14.6601 16.2787 16.2787 16.5118 16.5118 k = 0.5083 0.2646 0.2177 ( 2498 PWs) bands (ev): -8.8087 -8.8087 -8.8031 -8.8031 -8.7991 -8.7991 -8.7940 -8.7940 -7.7837 -7.7837 -7.7769 -7.7769 -7.7736 -7.7736 -7.7687 -7.7687 -7.7610 -7.7610 -7.7595 -7.7595 3.9544 3.9544 4.9689 4.9689 8.2336 8.2336 8.8654 8.8654 9.0946 9.0946 10.0324 10.0324 10.2355 10.2355 12.4555 12.4555 13.1592 13.1592 14.3659 14.3659 14.7140 14.7140 16.3011 16.3011 16.5320 16.5320 k = 0.5125 0.2526 0.2245 ( 2498 PWs) bands (ev): -8.8092 -8.8092 -8.8036 -8.8036 -8.7986 -8.7986 -8.7936 -8.7936 -7.7846 -7.7846 -7.7785 -7.7785 -7.7748 -7.7748 -7.7676 -7.7676 -7.7600 -7.7600 -7.7577 -7.7577 3.9632 3.9632 4.9723 4.9723 8.2333 8.2333 8.8647 8.8647 9.0894 9.0894 10.0243 10.0243 10.2320 10.2320 12.4119 12.4119 13.1022 13.1022 14.3633 14.3633 14.7950 14.7950 16.3372 16.3372 16.5667 16.5667 k = 0.5167 0.2406 0.2313 ( 2496 PWs) bands (ev): -8.8099 -8.8099 -8.8041 -8.8041 -8.7981 -8.7981 -8.7932 -8.7932 -7.7860 -7.7860 -7.7801 -7.7801 -7.7758 -7.7758 -7.7667 -7.7667 -7.7586 -7.7586 -7.7557 -7.7557 3.9756 3.9756 4.9771 4.9771 8.2327 8.2327 8.8638 8.8638 9.0821 9.0821 10.0126 10.0126 10.2273 10.2273 12.3512 12.3512 13.0353 13.0353 14.3605 14.3605 14.8951 14.8951 16.3852 16.3852 16.6172 16.6172 k = 0.5208 0.2285 0.2381 ( 2497 PWs) bands (ev): -8.8107 -8.8107 -8.8048 -8.8048 -8.7974 -8.7974 -8.7926 -8.7926 -7.7877 -7.7877 -7.7817 -7.7817 -7.7767 -7.7767 -7.7661 -7.7661 -7.7569 -7.7569 -7.7534 -7.7534 3.9914 3.9914 4.9832 4.9832 8.2318 8.2318 8.8627 8.8627 9.0729 9.0729 9.9974 9.9974 10.2216 10.2216 12.2750 12.2750 12.9644 12.9644 14.3574 14.3574 15.0073 15.0073 16.4425 16.4425 16.6854 16.6854 k = 0.5250 0.2165 0.2449 ( 2499 PWs) bands (ev): -8.8116 -8.8116 -8.8055 -8.8055 -8.7968 -8.7968 -8.7921 -8.7921 -7.7897 -7.7897 -7.7834 -7.7834 -7.7773 -7.7773 -7.7657 -7.7657 -7.7550 -7.7550 -7.7511 -7.7511 4.0107 4.0107 4.9905 4.9905 8.2304 8.2304 8.8611 8.8611 9.0616 9.0616 9.9785 9.9785 10.2150 10.2150 12.1856 12.1856 12.8931 12.8931 14.3539 14.3539 15.1265 15.1265 16.5066 16.5066 16.7729 16.7729 k = 0.5292 0.2045 0.2518 ( 2498 PWs) bands (ev): -8.8125 -8.8125 -8.8062 -8.8062 -8.7961 -8.7961 -8.7915 -8.7915 -7.7918 -7.7918 -7.7851 -7.7851 -7.7777 -7.7777 -7.7654 -7.7654 -7.7531 -7.7531 -7.7486 -7.7486 4.0335 4.0335 4.9991 4.9991 8.2284 8.2284 8.8589 8.8589 9.0486 9.0486 9.9557 9.9557 10.2079 10.2079 12.0865 12.0865 12.8229 12.8229 14.3501 14.3501 15.2495 15.2495 16.5757 16.5757 16.8800 16.8800 k = 0.5333 0.1925 0.2586 ( 2495 PWs) bands (ev): -8.8134 -8.8134 -8.8070 -8.8070 -8.7954 -8.7954 -8.7909 -8.7909 -7.7939 -7.7939 -7.7869 -7.7869 -7.7780 -7.7780 -7.7651 -7.7651 -7.7511 -7.7511 -7.7461 -7.7461 4.0596 4.0596 5.0089 5.0089 8.2255 8.2255 8.8557 8.8557 9.0342 9.0342 9.9292 9.9292 10.2003 10.2003 11.9812 11.9812 12.7538 12.7538 14.3456 14.3456 15.3743 15.3743 16.6489 16.6489 17.0056 17.0056 k = 0.5375 0.1804 0.2654 ( 2494 PWs) bands (ev): -8.8144 -8.8144 -8.8078 -8.8078 -8.7947 -8.7947 -8.7902 -8.7902 -7.7961 -7.7961 -7.7888 -7.7888 -7.7783 -7.7783 -7.7649 -7.7649 -7.7492 -7.7492 -7.7435 -7.7435 4.0891 4.0891 5.0198 5.0198 8.2215 8.2215 8.8506 8.8506 9.0190 9.0190 9.8990 9.8990 10.1924 10.1924 11.8731 11.8731 12.6853 12.6853 14.3405 14.3405 15.5000 15.5000 16.7260 16.7260 17.1476 17.1476 k = 0.5417 0.1684 0.2722 ( 2495 PWs) bands (ev): -8.8154 -8.8154 -8.8087 -8.8087 -8.7940 -8.7940 -8.7896 -8.7896 -7.7982 -7.7982 -7.7906 -7.7906 -7.7785 -7.7785 -7.7646 -7.7646 -7.7473 -7.7473 -7.7409 -7.7409 4.1219 4.1219 5.0318 5.0318 8.2161 8.2161 8.8425 8.8425 9.0043 9.0043 9.8656 9.8656 10.1844 10.1844 11.7651 11.7651 12.6171 12.6171 14.3347 14.3347 15.6262 15.6262 16.8070 16.8070 17.3031 17.3031 k = 0.5458 0.1564 0.2790 ( 2492 PWs) bands (ev): -8.8164 -8.8164 -8.8095 -8.8095 -8.7934 -8.7934 -8.7890 -8.7890 -7.8003 -7.8003 -7.7923 -7.7923 -7.7788 -7.7788 -7.7642 -7.7642 -7.7454 -7.7454 -7.7383 -7.7383 4.1580 4.1580 5.0447 5.0447 8.2088 8.2088 8.8296 8.8296 8.9919 8.9919 9.8293 9.8293 10.1764 10.1764 11.6595 11.6595 12.5486 12.5486 14.3279 14.3279 15.7531 15.7531 16.8920 16.8920 17.4694 17.4694 k = 0.5500 0.1443 0.2858 ( 2497 PWs) bands (ev): -8.8173 -8.8173 -8.8104 -8.8104 -8.7928 -8.7928 -8.7884 -8.7884 -7.8024 -7.8024 -7.7940 -7.7940 -7.7790 -7.7790 -7.7638 -7.7638 -7.7436 -7.7436 -7.7357 -7.7357 4.1973 4.1973 5.0586 5.0586 8.1991 8.1991 8.8101 8.8101 8.9834 8.9834 9.7909 9.7909 10.1683 10.1683 11.5582 11.5582 12.4796 12.4796 14.3202 14.3202 15.8810 15.8810 16.9806 16.9806 17.6430 17.6430 k = 0.5542 0.1323 0.2926 ( 2497 PWs) bands (ev): -8.8183 -8.8183 -8.8112 -8.8112 -8.7922 -8.7922 -8.7878 -8.7878 -7.8044 -7.8044 -7.7957 -7.7957 -7.7793 -7.7793 -7.7634 -7.7634 -7.7419 -7.7419 -7.7331 -7.7331 4.2396 4.2396 5.0733 5.0733 8.1863 8.1863 8.7833 8.7833 8.9800 8.9800 9.7512 9.7512 10.1602 10.1602 11.4623 11.4623 12.4101 12.4101 14.3114 14.3114 16.0104 16.0104 17.0727 17.0727 17.8201 17.8201 k = 0.5583 0.1203 0.2994 ( 2499 PWs) bands (ev): -8.8193 -8.8193 -8.8120 -8.8120 -8.7917 -8.7917 -8.7872 -8.7872 -7.8064 -7.8064 -7.7973 -7.7973 -7.7797 -7.7797 -7.7629 -7.7629 -7.7403 -7.7403 -7.7305 -7.7305 4.2850 4.2850 5.0887 5.0887 8.1695 8.1695 8.7498 8.7498 8.9818 8.9818 9.7111 9.7111 10.1521 10.1521 11.3728 11.3728 12.3400 12.3400 14.3015 14.3015 16.1413 16.1413 17.1679 17.1679 17.9956 17.9956 k = 0.5625 0.1083 0.3062 ( 2502 PWs) bands (ev): -8.8202 -8.8202 -8.8128 -8.8128 -8.7911 -8.7911 -8.7867 -8.7867 -7.8083 -7.8083 -7.7988 -7.7988 -7.7801 -7.7801 -7.7624 -7.7624 -7.7388 -7.7388 -7.7279 -7.7279 4.3332 4.3332 5.1046 5.1046 8.1474 8.1474 8.7115 8.7115 8.9880 8.9880 9.6716 9.6716 10.1439 10.1439 11.2900 11.2900 12.2695 12.2695 14.2904 14.2904 16.2742 16.2742 17.2659 17.2659 18.1614 18.1614 k = 0.5667 0.0962 0.3130 ( 2494 PWs) bands (ev): -8.8212 -8.8212 -8.8136 -8.8136 -8.7907 -8.7907 -8.7861 -8.7861 -7.8101 -7.8101 -7.8002 -7.8002 -7.7806 -7.7806 -7.7618 -7.7618 -7.7374 -7.7374 -7.7253 -7.7253 4.3843 4.3843 5.1210 5.1210 8.1186 8.1186 8.6706 8.6706 8.9981 8.9981 9.6334 9.6334 10.1358 10.1358 11.2141 11.2141 12.1987 12.1987 14.2780 14.2780 16.4089 16.4089 17.3661 17.3661 18.3032 18.3032 k = 0.5708 0.0842 0.3198 ( 2495 PWs) bands (ev): -8.8221 -8.8221 -8.8144 -8.8144 -8.7902 -8.7902 -8.7856 -8.7856 -7.8119 -7.8119 -7.8016 -7.8016 -7.7811 -7.7811 -7.7611 -7.7611 -7.7361 -7.7361 -7.7228 -7.7228 4.4380 4.4380 5.1375 5.1375 8.0814 8.0814 8.6300 8.6300 9.0114 9.0114 9.5971 9.5971 10.1275 10.1275 11.1451 11.1451 12.1277 12.1277 14.2645 14.2645 16.5454 16.5454 17.4681 17.4681 18.3976 18.3976 k = 0.5750 0.0722 0.3266 ( 2499 PWs) bands (ev): -8.8229 -8.8229 -8.8152 -8.8152 -8.7898 -8.7898 -8.7850 -8.7850 -7.8136 -7.8136 -7.8028 -7.8028 -7.7817 -7.7817 -7.7604 -7.7604 -7.7349 -7.7349 -7.7203 -7.7203 4.4941 4.4941 5.1541 5.1541 8.0345 8.0345 8.5923 8.5923 9.0274 9.0274 9.5633 9.5633 10.1190 10.1190 11.0828 11.0828 12.0569 12.0569 14.2496 14.2496 16.6835 16.6835 17.5716 17.5716 18.4229 18.4229 k = 0.5792 0.0601 0.3334 ( 2501 PWs) bands (ev): -8.8238 -8.8238 -8.8159 -8.8159 -8.7894 -8.7894 -8.7845 -8.7845 -7.8152 -7.8152 -7.8040 -7.8040 -7.7823 -7.7823 -7.7596 -7.7596 -7.7339 -7.7339 -7.7179 -7.7179 4.5525 4.5525 5.1705 5.1705 7.9771 7.9771 8.5597 8.5597 9.0457 9.0457 9.5321 9.5321 10.1102 10.1102 11.0269 11.0269 11.9863 11.9863 14.2336 14.2336 16.8226 16.8226 17.6759 17.6759 18.3845 18.3845 k = 0.5833 0.0481 0.3402 ( 2501 PWs) bands (ev): -8.8246 -8.8246 -8.8166 -8.8166 -8.7891 -8.7891 -8.7841 -8.7841 -7.8168 -7.8168 -7.8050 -7.8050 -7.7830 -7.7830 -7.7587 -7.7587 -7.7329 -7.7329 -7.7155 -7.7155 4.6130 4.6130 5.1864 5.1864 7.9097 7.9097 8.5335 8.5335 9.0662 9.0662 9.5036 9.5036 10.1010 10.1010 10.9771 10.9771 11.9162 11.9162 14.2162 14.2162 16.9623 16.9623 17.7807 17.7807 18.3073 18.3073 k = 0.5875 0.0361 0.3470 ( 2509 PWs) bands (ev): -8.8254 -8.8254 -8.8173 -8.8173 -8.7888 -8.7888 -8.7836 -8.7836 -7.8183 -7.8183 -7.8060 -7.8060 -7.7837 -7.7837 -7.7578 -7.7578 -7.7321 -7.7321 -7.7131 -7.7131 4.6752 4.6752 5.2015 5.2015 7.8336 7.8336 8.5139 8.5139 9.0883 9.0883 9.4778 9.4778 10.0914 10.0914 10.9331 10.9331 11.8469 11.8469 14.1976 14.1976 17.1018 17.1018 17.8850 17.8850 18.2114 18.2114 k = 0.5917 0.0241 0.3538 ( 2509 PWs) bands (ev): -8.8261 -8.8261 -8.8180 -8.8180 -8.7885 -8.7885 -8.7832 -8.7832 -7.8197 -7.8197 -7.8069 -7.8069 -7.7845 -7.7845 -7.7569 -7.7569 -7.7315 -7.7315 -7.7108 -7.7108 4.7389 4.7389 5.2153 5.2153 7.7510 7.7510 8.5006 8.5006 9.1117 9.1117 9.4547 9.4547 10.0812 10.0812 10.8947 10.8947 11.7785 11.7785 14.1778 14.1778 17.2398 17.2398 17.9855 17.9855 18.1105 18.1105 k = 0.5958 0.0120 0.3606 ( 2509 PWs) bands (ev): -8.8269 -8.8269 -8.8186 -8.8186 -8.7883 -8.7883 -8.7828 -8.7828 -7.8211 -7.8211 -7.8076 -7.8076 -7.7853 -7.7853 -7.7559 -7.7559 -7.7310 -7.7310 -7.7085 -7.7085 4.8036 4.8036 5.2276 5.2276 7.6645 7.6645 8.4929 8.4929 9.1359 9.1359 9.4342 9.4342 10.0704 10.0704 10.8617 10.8617 11.7114 11.7114 14.1567 14.1567 17.3747 17.3747 17.9882 17.9882 18.1043 18.1043 k = 0.6000 0.0000 0.3674 ( 2503 PWs) bands (ev): -8.8276 -8.8276 -8.8191 -8.8191 -8.7881 -8.7881 -8.7824 -8.7824 -7.8224 -7.8224 -7.8082 -7.8082 -7.7862 -7.7862 -7.7548 -7.7548 -7.7306 -7.7306 -7.7063 -7.7063 4.8689 4.8689 5.2378 5.2378 7.5766 7.5766 8.4901 8.4901 9.1604 9.1604 9.4165 9.4165 10.0591 10.0591 10.8338 10.8338 11.6456 11.6456 14.1345 14.1345 17.5026 17.5026 17.8885 17.8885 18.2024 18.2024 k = 0.6042-0.0120 0.3742 ( 2505 PWs) bands (ev): -8.8282 -8.8282 -8.8196 -8.8196 -8.7879 -8.7879 -8.7821 -8.7821 -7.8236 -7.8236 -7.8087 -7.8087 -7.7872 -7.7872 -7.7538 -7.7538 -7.7303 -7.7303 -7.7042 -7.7042 4.9340 4.9340 5.2455 5.2455 7.4900 7.4900 8.4916 8.4916 9.1843 9.1843 9.4016 9.4016 10.0472 10.0472 10.8110 10.8110 11.5816 11.5816 14.1110 14.1110 17.6067 17.6067 17.8053 17.8053 18.3027 18.3027 k = 0.6083-0.0241 0.3810 ( 2501 PWs) bands (ev): -8.8288 -8.8288 -8.8201 -8.8201 -8.7877 -8.7877 -8.7818 -8.7818 -7.8247 -7.8247 -7.8091 -7.8091 -7.7881 -7.7881 -7.7527 -7.7527 -7.7303 -7.7303 -7.7021 -7.7021 4.9977 4.9977 5.2506 5.2506 7.4070 7.4070 8.4969 8.4969 9.2066 9.2066 9.3902 9.3902 10.0351 10.0351 10.7930 10.7930 11.5195 11.5195 14.0864 14.0864 17.6071 17.6071 17.8215 17.8215 18.4014 18.4014 k = 0.6125-0.0361 0.3878 ( 2503 PWs) bands (ev): -8.8294 -8.8294 -8.8205 -8.8205 -8.7876 -8.7876 -8.7816 -8.7816 -7.8258 -7.8258 -7.8094 -7.8094 -7.7891 -7.7891 -7.7515 -7.7515 -7.7303 -7.7303 -7.7000 -7.7000 5.0577 5.0577 5.2539 5.2539 7.3302 7.3302 8.5056 8.5056 9.2257 9.2257 9.3830 9.3830 10.0231 10.0231 10.7796 10.7796 11.4597 11.4597 14.0605 14.0605 17.5213 17.5213 17.9197 17.9197 18.4973 18.4973 k = 0.6167-0.0481 0.3946 ( 2507 PWs) bands (ev): -8.8300 -8.8300 -8.8208 -8.8208 -8.7875 -8.7875 -8.7814 -8.7814 -7.8269 -7.8269 -7.8095 -7.8095 -7.7902 -7.7902 -7.7504 -7.7504 -7.7305 -7.7305 -7.6980 -7.6980 5.1084 5.1084 5.2595 5.2595 7.2617 7.2617 8.5173 8.5173 9.2402 9.2402 9.3808 9.3808 10.0117 10.0117 10.7706 10.7706 11.4025 11.4025 14.0336 14.0336 17.4221 17.4221 18.0262 18.0262 18.5898 18.5898 k = 0.6208-0.0601 0.4014 ( 2500 PWs) bands (ev): -8.8306 -8.8306 -8.8211 -8.8211 -8.7874 -8.7874 -8.7812 -8.7812 -7.8278 -7.8278 -7.8095 -7.8095 -7.7913 -7.7913 -7.7492 -7.7492 -7.7309 -7.7309 -7.6961 -7.6961 5.1379 5.1379 5.2778 5.2778 7.2038 7.2038 8.5317 8.5317 9.2491 9.2491 9.3838 9.3838 10.0017 10.0017 10.7659 10.7659 11.3482 11.3482 14.0054 14.0054 17.3221 17.3221 18.1282 18.1282 18.6781 18.6781 k = 0.6250-0.0722 0.4082 ( 2502 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8287 -7.8287 -7.8094 -7.8094 -7.7924 -7.7924 -7.7480 -7.7480 -7.7314 -7.7314 -7.6942 -7.6942 5.1371 5.1371 5.3165 5.3165 7.1583 7.1583 8.5485 8.5485 9.2530 9.2530 9.3905 9.3905 9.9939 9.9939 10.7650 10.7650 11.2973 11.2973 13.9760 13.9760 17.2236 17.2236 18.2229 18.2229 18.7613 18.7613 k = 0.6250-0.0722 0.4082 ( 2502 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8287 -7.8287 -7.8094 -7.8094 -7.7924 -7.7924 -7.7480 -7.7480 -7.7314 -7.7314 -7.6942 -7.6942 5.1371 5.1371 5.3165 5.3165 7.1583 7.1583 8.5485 8.5485 9.2530 9.2530 9.3905 9.3905 9.9939 9.9939 10.7650 10.7650 11.2973 11.2973 13.9760 13.9760 17.2236 17.2236 18.2229 18.2229 18.7613 18.7613 k = 0.6181-0.0682 0.4196 ( 2498 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8287 -7.8287 -7.8094 -7.8094 -7.7923 -7.7923 -7.7481 -7.7481 -7.7313 -7.7313 -7.6943 -7.6943 5.1378 5.1378 5.3173 5.3173 7.1590 7.1590 8.5448 8.5448 9.2520 9.2520 9.3907 9.3907 9.9949 9.9949 10.7600 10.7600 11.2998 11.2998 13.9846 13.9846 17.2260 17.2260 18.1807 18.1807 18.8015 18.8015 k = 0.6111-0.0642 0.4309 ( 2498 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8287 -7.8287 -7.8097 -7.8097 -7.7920 -7.7920 -7.7486 -7.7486 -7.7309 -7.7309 -7.6944 -7.6944 5.1398 5.1398 5.3198 5.3198 7.1612 7.1612 8.5338 8.5338 9.2494 9.2494 9.3914 9.3914 9.9978 9.9978 10.7456 10.7456 11.3066 11.3066 14.0103 14.0103 17.2334 17.2334 18.0787 18.0787 18.8971 18.8971 k = 0.6042-0.0601 0.4423 ( 2502 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8286 -7.8286 -7.8100 -7.8100 -7.7915 -7.7915 -7.7492 -7.7492 -7.7302 -7.7302 -7.6947 -7.6947 5.1431 5.1431 5.3237 5.3237 7.1648 7.1648 8.5155 8.5155 9.2456 9.2456 9.3922 9.3922 10.0025 10.0025 10.7233 10.7233 11.3168 11.3168 14.0524 14.0524 17.2457 17.2457 17.9494 17.9494 19.0154 19.0154 k = 0.5972-0.0561 0.4536 ( 2498 PWs) bands (ev): -8.8311 -8.8311 -8.8214 -8.8214 -8.7872 -8.7872 -8.7811 -8.7811 -7.8286 -7.8286 -7.8104 -7.8104 -7.7908 -7.7908 -7.7501 -7.7501 -7.7294 -7.7294 -7.6950 -7.6950 5.1477 5.1477 5.3291 5.3291 7.1696 7.1696 8.4902 8.4902 9.2414 9.2414 9.3927 9.3927 10.0090 10.0090 10.6950 10.6950 11.3289 11.3289 14.1101 14.1101 17.2629 17.2629 17.8081 17.8081 19.1402 19.1402 k = 0.5903-0.0521 0.4649 ( 2501 PWs) bands (ev): -8.8311 -8.8311 -8.8214 -8.8214 -8.7872 -8.7872 -8.7810 -8.7810 -7.8284 -7.8284 -7.8109 -7.8109 -7.7899 -7.7899 -7.7511 -7.7511 -7.7284 -7.7284 -7.6955 -7.6955 5.1536 5.1536 5.3358 5.3358 7.1758 7.1758 8.4583 8.4583 9.2373 9.2373 9.3925 9.3925 10.0171 10.0171 10.6627 10.6627 11.3416 11.3416 14.1824 14.1824 17.2851 17.2851 17.6614 17.6614 19.2636 19.2636 k = 0.5833-0.0481 0.4763 ( 2508 PWs) bands (ev): -8.8311 -8.8311 -8.8214 -8.8214 -8.7872 -8.7872 -8.7810 -8.7810 -7.8283 -7.8283 -7.8115 -7.8115 -7.7889 -7.7889 -7.7523 -7.7523 -7.7273 -7.7273 -7.6961 -7.6961 5.1608 5.1608 5.3436 5.3436 7.1830 7.1830 8.4202 8.4202 9.2340 9.2340 9.3914 9.3914 10.0265 10.0265 10.6281 10.6281 11.3540 11.3540 14.2678 14.2678 17.3119 17.3119 17.5128 17.5128 19.3806 19.3806 k = 0.5764-0.0441 0.4876 ( 2499 PWs) bands (ev): -8.8311 -8.8311 -8.8215 -8.8215 -8.7871 -8.7871 -8.7809 -8.7809 -7.8281 -7.8281 -7.8121 -7.8121 -7.7878 -7.7878 -7.7535 -7.7535 -7.7262 -7.7262 -7.6967 -7.6967 5.1693 5.1693 5.3522 5.3522 7.1910 7.1910 8.3769 8.3769 9.2318 9.2318 9.3892 9.3892 10.0370 10.0370 10.5927 10.5927 11.3653 11.3653 14.3650 14.3650 17.3319 17.3319 17.3755 17.3755 19.4853 19.4853 k = 0.5694-0.0401 0.4990 ( 2503 PWs) bands (ev): -8.8311 -8.8311 -8.8215 -8.8215 -8.7871 -8.7871 -8.7809 -8.7809 -7.8280 -7.8280 -7.8128 -7.8128 -7.7866 -7.7866 -7.7548 -7.7548 -7.7249 -7.7249 -7.6975 -7.6975 5.1790 5.1790 5.3614 5.3614 7.1998 7.1998 8.3293 8.3293 9.2311 9.2311 9.3859 9.3859 10.0485 10.0485 10.5577 10.5577 11.3752 11.3752 14.4723 14.4723 17.2072 17.2072 17.3885 17.3885 19.5630 19.5630 k = 0.5625-0.0361 0.5103 ( 2499 PWs) bands (ev): -8.8311 -8.8311 -8.8216 -8.8216 -8.7870 -8.7870 -8.7808 -8.7808 -7.8278 -7.8278 -7.8134 -7.8134 -7.7853 -7.7853 -7.7563 -7.7563 -7.7236 -7.7236 -7.6983 -7.6983 5.1900 5.1900 5.3708 5.3708 7.2089 7.2089 8.2788 8.2788 9.2319 9.2319 9.3816 9.3816 10.0604 10.0604 10.5239 10.5239 11.3835 11.3835 14.5884 14.5884 17.0587 17.0587 17.4317 17.4317 19.5653 19.5653 k = 0.5556-0.0321 0.5217 ( 2503 PWs) bands (ev): -8.8310 -8.8310 -8.8216 -8.8216 -8.7870 -8.7870 -8.7808 -8.7808 -7.8275 -7.8275 -7.8141 -7.8141 -7.7839 -7.7839 -7.7577 -7.7577 -7.7222 -7.7222 -7.6993 -7.6993 5.2022 5.2022 5.3799 5.3799 7.2179 7.2179 8.2268 8.2268 9.2342 9.2342 9.3763 9.3763 10.0726 10.0726 10.4921 10.4921 11.3903 11.3903 14.7116 14.7116 16.9104 16.9104 17.4815 17.4815 19.4711 19.4711 k = 0.5486-0.0281 0.5330 ( 2502 PWs) bands (ev): -8.8310 -8.8310 -8.8217 -8.8217 -8.7869 -8.7869 -8.7807 -8.7807 -7.8273 -7.8273 -7.8147 -7.8147 -7.7825 -7.7825 -7.7592 -7.7592 -7.7208 -7.7208 -7.7003 -7.7003 5.2156 5.2156 5.3882 5.3882 7.2265 7.2265 8.1751 8.1751 9.2379 9.2379 9.3701 9.3701 10.0847 10.0847 10.4628 10.4628 11.3955 11.3955 14.8404 14.8404 16.7634 16.7634 17.5373 17.5373 19.3439 19.3439 k = 0.5417-0.0241 0.5443 ( 2508 PWs) bands (ev): -8.8310 -8.8310 -8.8217 -8.8217 -8.7869 -8.7869 -8.7806 -8.7806 -7.8270 -7.8270 -7.8153 -7.8153 -7.7810 -7.7810 -7.7608 -7.7608 -7.7194 -7.7194 -7.7014 -7.7014 5.2302 5.2302 5.3952 5.3952 7.2342 7.2342 8.1255 8.1255 9.2428 9.2428 9.3634 9.3634 10.0961 10.0961 10.4365 10.4365 11.3993 11.3993 14.9734 14.9734 16.6181 16.6181 17.5987 17.5987 19.2109 19.2109 k = 0.5347-0.0200 0.5557 ( 2492 PWs) bands (ev): -8.8310 -8.8310 -8.8218 -8.8218 -8.7869 -8.7869 -8.7806 -8.7806 -7.8267 -7.8267 -7.8159 -7.8159 -7.7794 -7.7794 -7.7624 -7.7624 -7.7179 -7.7179 -7.7026 -7.7026 5.2458 5.2458 5.4001 5.4001 7.2405 7.2405 8.0798 8.0798 9.2487 9.2487 9.3563 9.3563 10.1066 10.1066 10.4135 10.4135 11.4019 11.4019 15.1091 15.1091 16.4747 16.4747 17.6652 17.6652 19.0796 19.0796 k = 0.5278-0.0160 0.5670 ( 2492 PWs) bands (ev): -8.8309 -8.8309 -8.8219 -8.8219 -8.7868 -8.7868 -8.7805 -8.7805 -7.8265 -7.8265 -7.8165 -7.8165 -7.7778 -7.7778 -7.7640 -7.7640 -7.7164 -7.7164 -7.7039 -7.7039 5.2624 5.2624 5.4023 5.4023 7.2451 7.2451 8.0400 8.0400 9.2552 9.2552 9.3492 9.3492 10.1156 10.1156 10.3944 10.3944 11.4036 11.4036 15.2462 15.2462 16.3335 16.3335 17.7353 17.7353 18.9542 18.9542 k = 0.5208-0.0120 0.5784 ( 2494 PWs) bands (ev): -8.8309 -8.8309 -8.8219 -8.8219 -8.7868 -8.7868 -8.7805 -8.7805 -7.8262 -7.8262 -7.8169 -7.8169 -7.7762 -7.7762 -7.7656 -7.7656 -7.7149 -7.7149 -7.7052 -7.7052 5.2795 5.2795 5.4013 5.4013 7.2476 7.2476 8.0076 8.0076 9.2617 9.2617 9.3424 9.3424 10.1227 10.1227 10.3795 10.3795 11.4044 11.4044 15.3834 15.3834 16.1947 16.1947 17.8062 17.8062 18.8388 18.8388 k = 0.5139-0.0080 0.5897 ( 2492 PWs) bands (ev): -8.8309 -8.8309 -8.8220 -8.8220 -8.7868 -8.7868 -8.7805 -8.7805 -7.8260 -7.8260 -7.8173 -7.8173 -7.7746 -7.7746 -7.7673 -7.7673 -7.7134 -7.7134 -7.7066 -7.7066 5.2967 5.2967 5.3967 5.3967 7.2484 7.2484 7.9839 7.9839 9.2676 9.2676 9.3366 9.3366 10.1275 10.1275 10.3690 10.3690 11.4047 11.4047 15.5193 15.5193 16.0587 16.0587 17.8722 17.8722 18.7404 18.7404 k = 0.5069-0.0040 0.6010 ( 2488 PWs) bands (ev): -8.8309 -8.8309 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8259 -7.8259 -7.8175 -7.8175 -7.7730 -7.7730 -7.7689 -7.7689 -7.7119 -7.7119 -7.7080 -7.7080 5.3120 5.3120 5.3895 5.3895 7.2480 7.2480 7.9697 7.9697 9.2719 9.2719 9.3326 9.3326 10.1302 10.1302 10.3629 10.3629 11.4047 11.4047 15.6515 15.6515 15.9269 15.9269 17.9228 17.9228 18.6700 18.6700 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -8.8309 -8.8309 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8258 -7.8258 -7.8176 -7.8176 -7.7720 -7.7720 -7.7699 -7.7699 -7.7111 -7.7111 -7.7088 -7.7088 5.3196 5.3196 5.3849 5.3849 7.2475 7.2475 7.9650 7.9650 9.2734 9.2734 9.3311 9.3311 10.1310 10.1310 10.3610 10.3610 11.4047 11.4047 15.7509 15.7509 15.8278 15.8278 17.9428 17.9428 18.6433 18.6433 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -8.8309 -8.8309 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8258 -7.8258 -7.8176 -7.8176 -7.7720 -7.7720 -7.7699 -7.7699 -7.7111 -7.7111 -7.7088 -7.7088 5.3196 5.3196 5.3849 5.3849 7.2475 7.2475 7.9650 7.9650 9.2734 9.2734 9.3311 9.3311 10.1310 10.1310 10.3610 10.3610 11.4047 11.4047 15.7509 15.7509 15.8278 15.8278 17.9428 17.9428 18.6433 18.6433 k = 0.5000 0.0082 0.6007 ( 2488 PWs) bands (ev): -8.8308 -8.8308 -8.8220 -8.8220 -8.7868 -8.7868 -8.7804 -8.7804 -7.8258 -7.8258 -7.8176 -7.8176 -7.7720 -7.7720 -7.7699 -7.7699 -7.7111 -7.7111 -7.7089 -7.7089 5.3160 5.3160 5.3815 5.3815 7.2555 7.2555 7.9660 7.9660 9.2719 9.2719 9.3317 9.3317 10.1297 10.1297 10.3651 10.3651 11.4069 11.4069 15.7476 15.7476 15.8257 15.8257 17.9457 17.9457 18.6499 18.6499 k = 0.5000 0.0165 0.5890 ( 2496 PWs) bands (ev): -8.8308 -8.8308 -8.8219 -8.8219 -8.7868 -8.7868 -8.7805 -8.7805 -7.8256 -7.8256 -7.8174 -7.8174 -7.7720 -7.7720 -7.7699 -7.7699 -7.7113 -7.7113 -7.7091 -7.7091 5.3043 5.3043 5.3726 5.3726 7.2790 7.2790 7.9688 7.9688 9.2672 9.2672 9.3335 9.3335 10.1263 10.1263 10.3767 10.3767 11.4135 11.4135 15.7370 15.7370 15.8202 15.8202 17.9543 17.9543 18.6694 18.6694 k = 0.5000 0.0247 0.5774 ( 2496 PWs) bands (ev): -8.8306 -8.8306 -8.8218 -8.8218 -8.7868 -8.7868 -8.7806 -8.7806 -7.8254 -7.8254 -7.8172 -7.8172 -7.7720 -7.7720 -7.7699 -7.7699 -7.7117 -7.7117 -7.7094 -7.7094 5.2825 5.2825 5.3612 5.3612 7.3171 7.3171 7.9734 7.9734 9.2596 9.2596 9.3365 9.3365 10.1215 10.1215 10.3952 10.3952 11.4246 11.4246 15.7174 15.7174 15.8134 15.8134 17.9686 17.9686 18.7015 18.7015 k = 0.5000 0.0330 0.5657 ( 2498 PWs) bands (ev): -8.8304 -8.8304 -8.8216 -8.8216 -8.7869 -8.7869 -8.7807 -8.7807 -7.8250 -7.8250 -7.8169 -7.8169 -7.7720 -7.7720 -7.7699 -7.7699 -7.7121 -7.7121 -7.7098 -7.7098 5.2497 5.2497 5.3497 5.3497 7.3683 7.3683 7.9799 7.9799 9.2491 9.2491 9.3408 9.3408 10.1161 10.1161 10.4193 10.4193 11.4401 11.4401 15.6879 15.6879 15.8070 15.8070 17.9885 17.9885 18.7453 18.7453 k = 0.5000 0.0412 0.5541 ( 2498 PWs) bands (ev): -8.8301 -8.8301 -8.8213 -8.8213 -8.7870 -8.7870 -8.7809 -8.7809 -7.8246 -7.8246 -7.8165 -7.8165 -7.7720 -7.7720 -7.7699 -7.7699 -7.7127 -7.7127 -7.7104 -7.7104 5.2071 5.2071 5.3383 5.3383 7.4308 7.4308 7.9881 7.9881 9.2361 9.2361 9.3465 9.3465 10.1110 10.1110 10.4482 10.4482 11.4599 11.4599 15.6489 15.6489 15.8015 15.8015 18.0137 18.0137 18.7999 18.7999 k = 0.5000 0.0495 0.5424 ( 2498 PWs) bands (ev): -8.8298 -8.8298 -8.8210 -8.8210 -8.7871 -8.7871 -8.7811 -8.7811 -7.8241 -7.8241 -7.8160 -7.8160 -7.7721 -7.7721 -7.7699 -7.7699 -7.7134 -7.7134 -7.7110 -7.7110 5.1571 5.1571 5.3267 5.3267 7.5027 7.5027 7.9979 7.9979 9.2210 9.2210 9.3536 9.3536 10.1067 10.1067 10.4811 10.4811 11.4842 11.4842 15.6017 15.6017 15.7967 15.7967 18.0440 18.0440 18.8642 18.8642 k = 0.5000 0.0577 0.5307 ( 2496 PWs) bands (ev): -8.8294 -8.8294 -8.8207 -8.8207 -8.7872 -8.7872 -8.7813 -8.7813 -7.8235 -7.8235 -7.8154 -7.8154 -7.7722 -7.7722 -7.7698 -7.7698 -7.7142 -7.7142 -7.7118 -7.7118 5.1015 5.1015 5.3143 5.3143 7.5823 7.5823 8.0093 8.0093 9.2039 9.2039 9.3622 9.3622 10.1034 10.1034 10.5175 10.5175 11.5128 11.5128 15.5476 15.5476 15.7921 15.7921 18.0790 18.0790 18.9367 18.9367 k = 0.5000 0.0660 0.5191 ( 2500 PWs) bands (ev): -8.8289 -8.8289 -8.8203 -8.8203 -8.7874 -8.7874 -8.7815 -8.7815 -7.8228 -7.8228 -7.8147 -7.8147 -7.7723 -7.7723 -7.7698 -7.7698 -7.7152 -7.7152 -7.7127 -7.7127 5.0420 5.0420 5.3011 5.3011 7.6676 7.6676 8.0222 8.0222 9.1854 9.1854 9.3724 9.3724 10.1012 10.1012 10.5570 10.5570 11.5458 11.5458 15.4881 15.4881 15.7874 15.7874 18.1182 18.1182 19.0157 19.0157 k = 0.5000 0.0742 0.5074 ( 2498 PWs) bands (ev): -8.8284 -8.8284 -8.8199 -8.8199 -8.7875 -8.7875 -8.7818 -8.7818 -7.8220 -7.8220 -7.8140 -7.8140 -7.7725 -7.7725 -7.7697 -7.7697 -7.7162 -7.7162 -7.7137 -7.7137 4.9799 4.9799 5.2870 5.2870 7.7569 7.7569 8.0368 8.0368 9.1658 9.1658 9.3843 9.3843 10.1003 10.1003 10.5993 10.5993 11.5830 11.5830 15.4242 15.4242 15.7825 15.7825 18.1608 18.1608 19.0975 19.0975 k = 0.5000 0.0825 0.4957 ( 2498 PWs) bands (ev): -8.8279 -8.8279 -8.8194 -8.8194 -8.7877 -8.7877 -8.7821 -8.7821 -7.8211 -7.8211 -7.8131 -7.8131 -7.7727 -7.7727 -7.7695 -7.7695 -7.7174 -7.7174 -7.7149 -7.7149 4.9163 4.9163 5.2720 5.2720 7.8480 7.8480 8.0535 8.0535 9.1455 9.1455 9.3980 9.3980 10.1005 10.1005 10.6444 10.6444 11.6244 11.6244 15.3570 15.3570 15.7771 15.7771 18.2055 18.2055 19.1672 19.1672 k = 0.5000 0.0907 0.4841 ( 2492 PWs) bands (ev): -8.8273 -8.8273 -8.8189 -8.8189 -8.7879 -8.7879 -8.7825 -8.7825 -7.8201 -7.8201 -7.8122 -7.8122 -7.7729 -7.7729 -7.7694 -7.7694 -7.7187 -7.7187 -7.7161 -7.7161 4.8521 4.8521 5.2563 5.2563 7.9374 7.9374 8.0744 8.0744 9.1249 9.1249 9.4138 9.4138 10.1018 10.1018 10.6923 10.6923 11.6699 11.6699 15.2874 15.2874 15.7711 15.7711 18.2505 18.2505 19.1478 19.1478 k = 0.5000 0.0990 0.4724 ( 2494 PWs) bands (ev): -8.8266 -8.8266 -8.8183 -8.8183 -8.7882 -8.7882 -8.7829 -8.7829 -7.8190 -7.8190 -7.8111 -7.8111 -7.7731 -7.7731 -7.7692 -7.7692 -7.7201 -7.7201 -7.7175 -7.7175 4.7878 4.7878 5.2400 5.2400 8.0153 8.0153 8.1078 8.1078 9.1042 9.1042 9.4318 9.4318 10.1041 10.1041 10.7431 10.7431 11.7194 11.7194 15.2164 15.2164 15.7644 15.7644 18.2928 18.2928 19.0362 19.0362 k = 0.5000 0.1072 0.4607 ( 2488 PWs) bands (ev): -8.8260 -8.8260 -8.8177 -8.8177 -8.7885 -8.7885 -8.7833 -8.7833 -7.8179 -7.8179 -7.8100 -7.8100 -7.7734 -7.7734 -7.7690 -7.7690 -7.7215 -7.7215 -7.7189 -7.7189 4.7242 4.7242 5.2231 5.2231 8.0634 8.0634 8.1703 8.1703 9.0840 9.0840 9.4523 9.4523 10.1073 10.1073 10.7968 10.7968 11.7726 11.7726 15.1447 15.1447 15.7568 15.7568 18.3274 18.3274 18.9061 18.9061 k = 0.5000 0.1155 0.4491 ( 2498 PWs) bands (ev): -8.8252 -8.8252 -8.8171 -8.8171 -8.7887 -8.7887 -8.7837 -8.7837 -7.8166 -7.8166 -7.8089 -7.8089 -7.7737 -7.7737 -7.7688 -7.7688 -7.7231 -7.7231 -7.7205 -7.7205 4.6615 4.6615 5.2059 5.2059 8.0895 8.0895 8.2527 8.2527 9.0644 9.0644 9.4755 9.4755 10.1112 10.1112 10.8538 10.8538 11.8294 11.8294 15.0729 15.0729 15.7481 15.7481 18.3456 18.3456 18.7734 18.7734 k = 0.5000 0.1237 0.4374 ( 2494 PWs) bands (ev): -8.8244 -8.8244 -8.8164 -8.8164 -8.7891 -8.7891 -8.7842 -8.7842 -7.8153 -7.8153 -7.8076 -7.8076 -7.7740 -7.7740 -7.7686 -7.7686 -7.7248 -7.7248 -7.7221 -7.7221 4.6004 4.6004 5.1885 5.1885 8.1088 8.1088 8.3384 8.3384 9.0459 9.0459 9.5015 9.5015 10.1159 10.1159 10.9144 10.9144 11.8895 11.8895 15.0017 15.0017 15.7382 15.7382 18.3343 18.3343 18.6442 18.6442 k = 0.5000 0.1320 0.4257 ( 2500 PWs) bands (ev): -8.8236 -8.8236 -8.8157 -8.8157 -8.7894 -8.7894 -8.7846 -8.7846 -7.8139 -7.8139 -7.8063 -7.8063 -7.7743 -7.7743 -7.7683 -7.7683 -7.7266 -7.7266 -7.7238 -7.7238 4.5410 4.5410 5.1710 5.1710 8.1256 8.1256 8.4217 8.4217 9.0287 9.0287 9.5304 9.5304 10.1212 10.1212 10.9790 10.9790 11.9527 11.9527 14.9318 14.9318 15.7266 15.7266 18.2796 18.2796 18.5202 18.5202 k = 0.5000 0.1402 0.4141 ( 2494 PWs) bands (ev): -8.8228 -8.8228 -8.8150 -8.8150 -8.7898 -8.7898 -8.7851 -8.7851 -7.8124 -7.8124 -7.8049 -7.8049 -7.7746 -7.7746 -7.7681 -7.7681 -7.7284 -7.7284 -7.7257 -7.7257 4.4836 4.4836 5.1535 5.1535 8.1409 8.1409 8.5002 8.5002 9.0131 9.0131 9.5624 9.5624 10.1271 10.1271 11.0479 11.0479 12.0187 12.0187 14.8638 14.8638 15.7130 15.7130 18.1814 18.1814 18.3932 18.3932 k = 0.5000 0.1485 0.4024 ( 2494 PWs) bands (ev): -8.8219 -8.8219 -8.8143 -8.8143 -8.7902 -8.7902 -8.7857 -8.7857 -7.8108 -7.8108 -7.8034 -7.8034 -7.7749 -7.7749 -7.7679 -7.7679 -7.7303 -7.7303 -7.7275 -7.7275 4.4285 4.4285 5.1363 5.1363 8.1549 8.1549 8.5725 8.5725 8.9996 8.9996 9.5971 9.5971 10.1334 10.1334 11.1214 11.1214 12.0871 12.0871 14.7981 14.7981 15.6970 15.6970 18.0548 18.0548 18.2512 18.2512 k = 0.5000 0.1567 0.3908 ( 2496 PWs) bands (ev): -8.8210 -8.8210 -8.8135 -8.8135 -8.7907 -8.7907 -8.7862 -8.7862 -7.8091 -7.8091 -7.8018 -7.8018 -7.7752 -7.7752 -7.7676 -7.7676 -7.7323 -7.7323 -7.7295 -7.7295 4.3758 4.3758 5.1193 5.1193 8.1678 8.1678 8.6375 8.6375 8.9885 8.9885 9.6344 9.6344 10.1401 10.1401 11.2000 11.2000 12.1576 12.1576 14.7354 14.7354 15.6781 15.6781 17.9132 17.9132 18.0941 18.0941 k = 0.5000 0.1650 0.3791 ( 2498 PWs) bands (ev): -8.8201 -8.8201 -8.8127 -8.8127 -8.7912 -8.7912 -8.7867 -8.7867 -7.8074 -7.8074 -7.8002 -7.8002 -7.7755 -7.7755 -7.7674 -7.7674 -7.7344 -7.7344 -7.7315 -7.7315 4.3257 4.3257 5.1028 5.1028 8.1794 8.1794 8.6945 8.6945 8.9804 8.9804 9.6736 9.6736 10.1471 10.1471 11.2839 11.2839 12.2298 12.2298 14.6761 14.6761 15.6554 15.6554 17.7627 17.7627 17.9294 17.9294 k = 0.5000 0.1732 0.3674 ( 2492 PWs) bands (ev): -8.8192 -8.8192 -8.8119 -8.8119 -8.7917 -8.7917 -8.7873 -8.7873 -7.8056 -7.8056 -7.7985 -7.7985 -7.7758 -7.7758 -7.7672 -7.7672 -7.7365 -7.7365 -7.7336 -7.7336 4.2783 4.2783 5.0869 5.0869 8.1898 8.1898 8.7426 8.7426 8.9759 8.9759 9.7139 9.7139 10.1544 10.1544 11.3732 11.3732 12.3031 12.3031 14.6208 14.6208 15.6280 15.6280 17.6058 17.6058 17.7654 17.7654 k = 0.5000 0.1815 0.3558 ( 2492 PWs) bands (ev): -8.8182 -8.8182 -8.8111 -8.8111 -8.7923 -8.7923 -8.7879 -8.7879 -7.8037 -7.8037 -7.7968 -7.7968 -7.7761 -7.7761 -7.7670 -7.7670 -7.7387 -7.7387 -7.7358 -7.7358 4.2338 4.2338 5.0716 5.0716 8.1988 8.1988 8.7813 8.7813 8.9759 8.9759 9.7545 9.7545 10.1619 10.1619 11.4676 11.4676 12.3773 12.3773 14.5701 14.5701 15.5948 15.5948 17.4446 17.4446 17.6076 17.6076 k = 0.5000 0.1897 0.3441 ( 2492 PWs) bands (ev): -8.8172 -8.8172 -8.8102 -8.8102 -8.7929 -8.7929 -8.7885 -8.7885 -7.8017 -7.8017 -7.7950 -7.7950 -7.7763 -7.7763 -7.7668 -7.7668 -7.7409 -7.7409 -7.7380 -7.7380 4.1923 4.1923 5.0570 5.0570 8.2066 8.2066 8.8104 8.8104 8.9809 8.9809 9.7944 9.7944 10.1696 10.1696 11.5669 11.5669 12.4518 12.4518 14.5243 14.5243 15.5545 15.5545 17.2828 17.2828 17.4582 17.4582 k = 0.5000 0.1979 0.3324 ( 2494 PWs) bands (ev): -8.8163 -8.8163 -8.8094 -8.8094 -8.7935 -8.7935 -8.7891 -8.7891 -7.7997 -7.7997 -7.7932 -7.7932 -7.7765 -7.7765 -7.7666 -7.7666 -7.7432 -7.7432 -7.7402 -7.7402 4.1538 4.1538 5.0433 5.0433 8.2132 8.2132 8.8305 8.8305 8.9909 8.9909 9.8327 9.8327 10.1775 10.1775 11.6703 11.6703 12.5262 12.5262 14.4840 14.4840 15.5055 15.5055 17.1252 17.1252 17.3176 17.3176 k = 0.5000 0.2062 0.3208 ( 2494 PWs) bands (ev): -8.8153 -8.8153 -8.8086 -8.8086 -8.7941 -8.7941 -8.7897 -8.7897 -7.7977 -7.7977 -7.7913 -7.7913 -7.7767 -7.7767 -7.7664 -7.7664 -7.7455 -7.7455 -7.7425 -7.7425 4.1184 4.1184 5.0305 5.0305 8.2186 8.2186 8.8434 8.8434 9.0044 9.0044 9.8687 9.8687 10.1854 10.1854 11.7766 11.7766 12.6004 12.6004 14.4495 14.4495 15.4462 15.4462 16.9763 16.9763 17.1854 17.1854 k = 0.5000 0.2144 0.3091 ( 2492 PWs) bands (ev): -8.8143 -8.8143 -8.8078 -8.8078 -8.7948 -8.7948 -8.7903 -8.7903 -7.7957 -7.7957 -7.7894 -7.7894 -7.7768 -7.7768 -7.7663 -7.7663 -7.7478 -7.7478 -7.7447 -7.7447 4.0863 4.0863 5.0187 5.0187 8.2229 8.2229 8.8512 8.8512 9.0197 9.0197 9.9017 9.9017 10.1932 10.1932 11.8843 11.8843 12.6741 12.6741 14.4211 14.4211 15.3756 15.3756 16.8398 16.8398 17.0620 17.0620 k = 0.5000 0.2227 0.2974 ( 2494 PWs) bands (ev): -8.8134 -8.8134 -8.8070 -8.8070 -8.7954 -8.7954 -8.7909 -8.7909 -7.7936 -7.7936 -7.7875 -7.7875 -7.7769 -7.7769 -7.7662 -7.7662 -7.7501 -7.7501 -7.7470 -7.7470 4.0573 4.0573 5.0080 5.0080 8.2262 8.2262 8.8560 8.8560 9.0350 9.0350 9.9314 9.9314 10.2010 10.2010 11.9913 11.9913 12.7474 12.7474 14.3987 14.3987 15.2932 15.2932 16.7182 16.7182 16.9481 16.9481 k = 0.5000 0.2309 0.2858 ( 2500 PWs) bands (ev): -8.8124 -8.8124 -8.8062 -8.8062 -8.7961 -8.7961 -8.7915 -8.7915 -7.7915 -7.7915 -7.7855 -7.7855 -7.7769 -7.7769 -7.7662 -7.7662 -7.7524 -7.7524 -7.7493 -7.7493 4.0317 4.0317 4.9984 4.9984 8.2287 8.2287 8.8591 8.8591 9.0494 9.0494 9.9574 9.9574 10.2084 10.2084 12.0949 12.0949 12.8204 12.8204 14.3824 14.3824 15.1999 15.1999 16.6124 16.6124 16.8450 16.8450 k = 0.5000 0.2392 0.2741 ( 2502 PWs) bands (ev): -8.8115 -8.8115 -8.8054 -8.8054 -8.7968 -8.7968 -8.7921 -8.7921 -7.7895 -7.7895 -7.7837 -7.7837 -7.7767 -7.7767 -7.7663 -7.7663 -7.7546 -7.7546 -7.7516 -7.7516 4.0094 4.0094 4.9900 4.9900 8.2306 8.2306 8.8612 8.8612 9.0623 9.0623 9.9797 9.9797 10.2155 10.2155 12.1921 12.1921 12.8934 12.8934 14.3716 14.3716 15.0982 15.0982 16.5224 16.5224 16.7539 16.7539 k = 0.5000 0.2474 0.2624 ( 2502 PWs) bands (ev): -8.8107 -8.8107 -8.8047 -8.8047 -8.7975 -8.7975 -8.7927 -8.7927 -7.7876 -7.7876 -7.7819 -7.7819 -7.7763 -7.7763 -7.7665 -7.7665 -7.7566 -7.7566 -7.7538 -7.7538 3.9905 3.9905 4.9828 4.9828 8.2319 8.2319 8.8627 8.8627 9.0734 9.0734 9.9983 9.9983 10.2219 10.2219 12.2796 12.2796 12.9662 12.9662 14.3657 14.3657 14.9922 14.9922 16.4471 16.4471 16.6763 16.6763 k = 0.5000 0.2557 0.2508 ( 2498 PWs) bands (ev): -8.8099 -8.8099 -8.8041 -8.8041 -8.7981 -8.7981 -8.7932 -8.7932 -7.7859 -7.7859 -7.7801 -7.7801 -7.7756 -7.7756 -7.7669 -7.7669 -7.7585 -7.7585 -7.7559 -7.7559 3.9750 3.9750 4.9769 4.9769 8.2327 8.2327 8.8639 8.8639 9.0825 9.0825 10.0132 10.0132 10.2275 10.2275 12.3541 12.3541 13.0375 13.0375 14.3636 14.3636 14.8875 14.8875 16.3853 16.3853 16.6133 16.6133 k = 0.5000 0.2639 0.2391 ( 2500 PWs) bands (ev): -8.8092 -8.8092 -8.8036 -8.8036 -8.7987 -8.7987 -8.7936 -8.7936 -7.7846 -7.7846 -7.7785 -7.7785 -7.7747 -7.7747 -7.7676 -7.7676 -7.7600 -7.7600 -7.7578 -7.7578 3.9629 3.9629 4.9722 4.9722 8.2333 8.2333 8.8648 8.8648 9.0896 9.0896 10.0246 10.0246 10.2321 10.2321 12.4135 12.4135 13.1040 13.1040 14.3642 14.3642 14.7915 14.7915 16.3363 16.3363 16.5651 16.5651 k = 0.5000 0.2722 0.2275 ( 2500 PWs) bands (ev): -8.8087 -8.8087 -8.8031 -8.8031 -8.7991 -8.7991 -8.7940 -8.7940 -7.7836 -7.7836 -7.7769 -7.7769 -7.7736 -7.7736 -7.7687 -7.7687 -7.7610 -7.7610 -7.7595 -7.7595 3.9543 3.9543 4.9689 4.9689 8.2336 8.2336 8.8654 8.8654 9.0947 9.0947 10.0326 10.0326 10.2356 10.2356 12.4563 12.4563 13.1602 13.1602 14.3660 14.3660 14.7125 14.7125 16.3005 16.3005 16.5315 16.5315 k = 0.5000 0.2804 0.2158 ( 2496 PWs) bands (ev): -8.8083 -8.8083 -8.8029 -8.8029 -8.7994 -8.7994 -8.7942 -8.7942 -7.7831 -7.7831 -7.7753 -7.7753 -7.7727 -7.7727 -7.7700 -7.7700 -7.7617 -7.7617 -7.7607 -7.7607 3.9491 3.9491 4.9669 4.9669 8.2338 8.2338 8.8657 8.8657 9.0977 9.0977 10.0373 10.0373 10.2377 10.2377 12.4819 12.4819 13.1985 13.1985 14.3679 14.3679 14.6597 14.6597 16.2786 16.2786 16.5117 16.5117 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -8.8082 -8.8082 -8.8028 -8.8028 -8.7995 -8.7995 -8.7943 -8.7943 -7.7830 -7.7830 -7.7745 -7.7745 -7.7723 -7.7723 -7.7707 -7.7707 -7.7619 -7.7619 -7.7611 -7.7611 3.9473 3.9473 4.9662 4.9662 8.2338 8.2338 8.8659 8.8659 9.0987 9.0987 10.0389 10.0389 10.2384 10.2384 12.4905 12.4905 13.2122 13.2122 14.3686 14.3686 14.6410 14.6410 16.2712 16.2712 16.5052 16.5052 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -8.8082 -8.8082 -8.8028 -8.8028 -8.7995 -8.7995 -8.7943 -8.7943 -7.7830 -7.7830 -7.7745 -7.7745 -7.7723 -7.7723 -7.7707 -7.7707 -7.7619 -7.7619 -7.7611 -7.7611 3.9473 3.9473 4.9662 4.9662 8.2338 8.2338 8.8659 8.8659 9.0987 9.0987 10.0389 10.0389 10.2384 10.2384 12.4905 12.4905 13.2122 13.2122 14.3686 14.3686 14.6410 14.6410 16.2712 16.2712 16.5052 16.5052 k = 0.4958 0.2863 0.2177 ( 2496 PWs) bands (ev): -8.8083 -8.8083 -8.8029 -8.8029 -8.7994 -8.7994 -8.7942 -8.7942 -7.7831 -7.7831 -7.7754 -7.7754 -7.7727 -7.7727 -7.7700 -7.7700 -7.7617 -7.7617 -7.7607 -7.7607 3.9491 3.9491 4.9669 4.9669 8.2338 8.2338 8.8657 8.8657 9.0977 9.0977 10.0373 10.0373 10.2377 10.2377 12.4817 12.4817 13.1982 13.1982 14.3678 14.3678 14.6601 14.6601 16.2787 16.2787 16.5118 16.5118 k = 0.4917 0.2839 0.2313 ( 2498 PWs) bands (ev): -8.8087 -8.8087 -8.8031 -8.8031 -8.7991 -8.7991 -8.7940 -8.7940 -7.7837 -7.7837 -7.7769 -7.7769 -7.7736 -7.7736 -7.7687 -7.7687 -7.7610 -7.7610 -7.7595 -7.7595 3.9544 3.9544 4.9689 4.9689 8.2336 8.2336 8.8654 8.8654 9.0946 9.0946 10.0324 10.0324 10.2355 10.2355 12.4555 12.4555 13.1592 13.1592 14.3659 14.3659 14.7140 14.7140 16.3011 16.3011 16.5320 16.5320 k = 0.4875 0.2815 0.2449 ( 2498 PWs) bands (ev): -8.8092 -8.8092 -8.8036 -8.8036 -8.7986 -8.7986 -8.7936 -8.7936 -7.7846 -7.7846 -7.7785 -7.7785 -7.7748 -7.7748 -7.7676 -7.7676 -7.7600 -7.7600 -7.7577 -7.7577 3.9632 3.9632 4.9723 4.9723 8.2333 8.2333 8.8647 8.8647 9.0894 9.0894 10.0243 10.0243 10.2320 10.2320 12.4119 12.4119 13.1022 13.1022 14.3633 14.3633 14.7950 14.7950 16.3372 16.3372 16.5667 16.5667 k = 0.4833 0.2791 0.2586 ( 2496 PWs) bands (ev): -8.8099 -8.8099 -8.8041 -8.8041 -8.7981 -8.7981 -8.7932 -8.7932 -7.7860 -7.7860 -7.7801 -7.7801 -7.7758 -7.7758 -7.7667 -7.7667 -7.7586 -7.7586 -7.7557 -7.7557 3.9756 3.9756 4.9771 4.9771 8.2327 8.2327 8.8638 8.8638 9.0821 9.0821 10.0126 10.0126 10.2273 10.2273 12.3512 12.3512 13.0353 13.0353 14.3605 14.3605 14.8951 14.8951 16.3852 16.3852 16.6172 16.6172 k = 0.4792 0.2766 0.2722 ( 2497 PWs) bands (ev): -8.8107 -8.8107 -8.8048 -8.8048 -8.7974 -8.7974 -8.7926 -8.7926 -7.7877 -7.7877 -7.7817 -7.7817 -7.7767 -7.7767 -7.7661 -7.7661 -7.7569 -7.7569 -7.7534 -7.7534 3.9914 3.9914 4.9832 4.9832 8.2318 8.2318 8.8627 8.8627 9.0729 9.0729 9.9974 9.9974 10.2216 10.2216 12.2750 12.2750 12.9644 12.9644 14.3574 14.3574 15.0073 15.0073 16.4425 16.4425 16.6854 16.6854 k = 0.4750 0.2742 0.2858 ( 2499 PWs) bands (ev): -8.8116 -8.8116 -8.8055 -8.8055 -8.7968 -8.7968 -8.7921 -8.7921 -7.7897 -7.7897 -7.7834 -7.7834 -7.7773 -7.7773 -7.7657 -7.7657 -7.7550 -7.7550 -7.7511 -7.7511 4.0107 4.0107 4.9905 4.9905 8.2304 8.2304 8.8611 8.8611 9.0616 9.0616 9.9785 9.9785 10.2150 10.2150 12.1856 12.1856 12.8931 12.8931 14.3539 14.3539 15.1265 15.1265 16.5066 16.5066 16.7729 16.7729 k = 0.4708 0.2718 0.2994 ( 2498 PWs) bands (ev): -8.8125 -8.8125 -8.8062 -8.8062 -8.7961 -8.7961 -8.7915 -8.7915 -7.7918 -7.7918 -7.7851 -7.7851 -7.7777 -7.7777 -7.7654 -7.7654 -7.7531 -7.7531 -7.7486 -7.7486 4.0335 4.0335 4.9991 4.9991 8.2284 8.2284 8.8589 8.8589 9.0486 9.0486 9.9557 9.9557 10.2079 10.2079 12.0865 12.0865 12.8229 12.8229 14.3501 14.3501 15.2495 15.2495 16.5757 16.5757 16.8800 16.8800 k = 0.4667 0.2694 0.3130 ( 2495 PWs) bands (ev): -8.8134 -8.8134 -8.8070 -8.8070 -8.7954 -8.7954 -8.7909 -8.7909 -7.7939 -7.7939 -7.7869 -7.7869 -7.7780 -7.7780 -7.7651 -7.7651 -7.7511 -7.7511 -7.7461 -7.7461 4.0596 4.0596 5.0089 5.0089 8.2255 8.2255 8.8557 8.8557 9.0342 9.0342 9.9292 9.9292 10.2003 10.2003 11.9812 11.9812 12.7538 12.7538 14.3456 14.3456 15.3743 15.3743 16.6489 16.6489 17.0056 17.0056 k = 0.4625 0.2670 0.3266 ( 2494 PWs) bands (ev): -8.8144 -8.8144 -8.8078 -8.8078 -8.7947 -8.7947 -8.7902 -8.7902 -7.7961 -7.7961 -7.7888 -7.7888 -7.7783 -7.7783 -7.7649 -7.7649 -7.7492 -7.7492 -7.7435 -7.7435 4.0891 4.0891 5.0198 5.0198 8.2215 8.2215 8.8506 8.8506 9.0190 9.0190 9.8990 9.8990 10.1924 10.1924 11.8731 11.8731 12.6853 12.6853 14.3405 14.3405 15.5000 15.5000 16.7260 16.7260 17.1476 17.1476 k = 0.4583 0.2646 0.3402 ( 2495 PWs) bands (ev): -8.8154 -8.8154 -8.8087 -8.8087 -8.7940 -8.7940 -8.7896 -8.7896 -7.7982 -7.7982 -7.7906 -7.7906 -7.7785 -7.7785 -7.7646 -7.7646 -7.7473 -7.7473 -7.7409 -7.7409 4.1219 4.1219 5.0318 5.0318 8.2161 8.2161 8.8425 8.8425 9.0043 9.0043 9.8656 9.8656 10.1844 10.1844 11.7651 11.7651 12.6171 12.6171 14.3347 14.3347 15.6262 15.6262 16.8070 16.8070 17.3031 17.3031 k = 0.4542 0.2622 0.3538 ( 2492 PWs) bands (ev): -8.8164 -8.8164 -8.8095 -8.8095 -8.7934 -8.7934 -8.7890 -8.7890 -7.8003 -7.8003 -7.7923 -7.7923 -7.7788 -7.7788 -7.7642 -7.7642 -7.7454 -7.7454 -7.7383 -7.7383 4.1580 4.1580 5.0447 5.0447 8.2088 8.2088 8.8296 8.8296 8.9919 8.9919 9.8293 9.8293 10.1764 10.1764 11.6595 11.6595 12.5486 12.5486 14.3279 14.3279 15.7531 15.7531 16.8920 16.8920 17.4694 17.4694 k = 0.4500 0.2598 0.3674 ( 2497 PWs) bands (ev): -8.8173 -8.8173 -8.8104 -8.8104 -8.7928 -8.7928 -8.7884 -8.7884 -7.8024 -7.8024 -7.7940 -7.7940 -7.7790 -7.7790 -7.7638 -7.7638 -7.7436 -7.7436 -7.7357 -7.7357 4.1973 4.1973 5.0586 5.0586 8.1991 8.1991 8.8101 8.8101 8.9834 8.9834 9.7909 9.7909 10.1683 10.1683 11.5582 11.5582 12.4796 12.4796 14.3202 14.3202 15.8810 15.8810 16.9806 16.9806 17.6430 17.6430 k = 0.4458 0.2574 0.3810 ( 2497 PWs) bands (ev): -8.8183 -8.8183 -8.8112 -8.8112 -8.7922 -8.7922 -8.7878 -8.7878 -7.8044 -7.8044 -7.7957 -7.7957 -7.7793 -7.7793 -7.7634 -7.7634 -7.7419 -7.7419 -7.7331 -7.7331 4.2396 4.2396 5.0733 5.0733 8.1863 8.1863 8.7833 8.7833 8.9800 8.9800 9.7512 9.7512 10.1602 10.1602 11.4623 11.4623 12.4101 12.4101 14.3114 14.3114 16.0104 16.0104 17.0727 17.0727 17.8201 17.8201 k = 0.4417 0.2550 0.3946 ( 2499 PWs) bands (ev): -8.8193 -8.8193 -8.8120 -8.8120 -8.7917 -8.7917 -8.7872 -8.7872 -7.8064 -7.8064 -7.7973 -7.7973 -7.7797 -7.7797 -7.7629 -7.7629 -7.7403 -7.7403 -7.7305 -7.7305 4.2850 4.2850 5.0887 5.0887 8.1695 8.1695 8.7498 8.7498 8.9818 8.9818 9.7111 9.7111 10.1521 10.1521 11.3728 11.3728 12.3400 12.3400 14.3015 14.3015 16.1413 16.1413 17.1679 17.1679 17.9956 17.9956 k = 0.4375 0.2526 0.4082 ( 2502 PWs) bands (ev): -8.8202 -8.8202 -8.8128 -8.8128 -8.7911 -8.7911 -8.7867 -8.7867 -7.8083 -7.8083 -7.7988 -7.7988 -7.7801 -7.7801 -7.7624 -7.7624 -7.7388 -7.7388 -7.7279 -7.7279 4.3332 4.3332 5.1046 5.1046 8.1474 8.1474 8.7115 8.7115 8.9880 8.9880 9.6716 9.6716 10.1439 10.1439 11.2900 11.2900 12.2695 12.2695 14.2904 14.2904 16.2742 16.2742 17.2659 17.2659 18.1614 18.1614 k = 0.4333 0.2502 0.4219 ( 2494 PWs) bands (ev): -8.8212 -8.8212 -8.8136 -8.8136 -8.7907 -8.7907 -8.7861 -8.7861 -7.8101 -7.8101 -7.8002 -7.8002 -7.7806 -7.7806 -7.7618 -7.7618 -7.7374 -7.7374 -7.7253 -7.7253 4.3843 4.3843 5.1210 5.1210 8.1186 8.1186 8.6706 8.6706 8.9981 8.9981 9.6334 9.6334 10.1358 10.1358 11.2141 11.2141 12.1987 12.1987 14.2780 14.2780 16.4089 16.4089 17.3661 17.3661 18.3032 18.3032 k = 0.4292 0.2478 0.4355 ( 2495 PWs) bands (ev): -8.8221 -8.8221 -8.8144 -8.8144 -8.7902 -8.7902 -8.7856 -8.7856 -7.8119 -7.8119 -7.8016 -7.8016 -7.7811 -7.7811 -7.7611 -7.7611 -7.7361 -7.7361 -7.7228 -7.7228 4.4380 4.4380 5.1375 5.1375 8.0814 8.0814 8.6300 8.6300 9.0114 9.0114 9.5971 9.5971 10.1275 10.1275 11.1451 11.1451 12.1277 12.1277 14.2645 14.2645 16.5454 16.5454 17.4681 17.4681 18.3976 18.3976 k = 0.4250 0.2454 0.4491 ( 2499 PWs) bands (ev): -8.8229 -8.8229 -8.8152 -8.8152 -8.7898 -8.7898 -8.7850 -8.7850 -7.8136 -7.8136 -7.8028 -7.8028 -7.7817 -7.7817 -7.7604 -7.7604 -7.7349 -7.7349 -7.7203 -7.7203 4.4941 4.4941 5.1541 5.1541 8.0345 8.0345 8.5923 8.5923 9.0274 9.0274 9.5633 9.5633 10.1190 10.1190 11.0828 11.0828 12.0569 12.0569 14.2496 14.2496 16.6835 16.6835 17.5716 17.5716 18.4229 18.4229 k = 0.4208 0.2430 0.4627 ( 2501 PWs) bands (ev): -8.8238 -8.8238 -8.8159 -8.8159 -8.7894 -8.7894 -8.7845 -8.7845 -7.8152 -7.8152 -7.8040 -7.8040 -7.7823 -7.7823 -7.7596 -7.7596 -7.7339 -7.7339 -7.7179 -7.7179 4.5525 4.5525 5.1705 5.1705 7.9771 7.9771 8.5597 8.5597 9.0457 9.0457 9.5321 9.5321 10.1102 10.1102 11.0269 11.0269 11.9863 11.9863 14.2336 14.2336 16.8226 16.8226 17.6759 17.6759 18.3845 18.3845 k = 0.4167 0.2406 0.4763 ( 2501 PWs) bands (ev): -8.8246 -8.8246 -8.8166 -8.8166 -8.7891 -8.7891 -8.7841 -8.7841 -7.8168 -7.8168 -7.8050 -7.8050 -7.7830 -7.7830 -7.7587 -7.7587 -7.7329 -7.7329 -7.7155 -7.7155 4.6130 4.6130 5.1864 5.1864 7.9097 7.9097 8.5335 8.5335 9.0662 9.0662 9.5036 9.5036 10.1010 10.1010 10.9771 10.9771 11.9162 11.9162 14.2162 14.2162 16.9623 16.9623 17.7807 17.7807 18.3073 18.3073 k = 0.4125 0.2382 0.4899 ( 2509 PWs) bands (ev): -8.8254 -8.8254 -8.8173 -8.8173 -8.7888 -8.7888 -8.7836 -8.7836 -7.8183 -7.8183 -7.8060 -7.8060 -7.7837 -7.7837 -7.7578 -7.7578 -7.7321 -7.7321 -7.7131 -7.7131 4.6752 4.6752 5.2015 5.2015 7.8336 7.8336 8.5139 8.5139 9.0883 9.0883 9.4778 9.4778 10.0914 10.0914 10.9331 10.9331 11.8469 11.8469 14.1976 14.1976 17.1018 17.1018 17.8850 17.8850 18.2114 18.2114 k = 0.4083 0.2358 0.5035 ( 2509 PWs) bands (ev): -8.8261 -8.8261 -8.8180 -8.8180 -8.7885 -8.7885 -8.7832 -8.7832 -7.8197 -7.8197 -7.8069 -7.8069 -7.7845 -7.7845 -7.7569 -7.7569 -7.7315 -7.7315 -7.7108 -7.7108 4.7389 4.7389 5.2153 5.2153 7.7510 7.7510 8.5006 8.5006 9.1117 9.1117 9.4547 9.4547 10.0812 10.0812 10.8947 10.8947 11.7785 11.7785 14.1778 14.1778 17.2398 17.2398 17.9855 17.9855 18.1105 18.1105 k = 0.4042 0.2333 0.5171 ( 2509 PWs) bands (ev): -8.8269 -8.8269 -8.8186 -8.8186 -8.7883 -8.7883 -8.7828 -8.7828 -7.8211 -7.8211 -7.8076 -7.8076 -7.7853 -7.7853 -7.7559 -7.7559 -7.7310 -7.7310 -7.7085 -7.7085 4.8036 4.8036 5.2276 5.2276 7.6645 7.6645 8.4929 8.4929 9.1359 9.1359 9.4342 9.4342 10.0704 10.0704 10.8617 10.8617 11.7114 11.7114 14.1567 14.1567 17.3747 17.3747 17.9882 17.9882 18.1043 18.1043 k = 0.4000 0.2309 0.5307 ( 2503 PWs) bands (ev): -8.8276 -8.8276 -8.8191 -8.8191 -8.7881 -8.7881 -8.7824 -8.7824 -7.8224 -7.8224 -7.8082 -7.8082 -7.7862 -7.7862 -7.7548 -7.7548 -7.7306 -7.7306 -7.7063 -7.7063 4.8689 4.8689 5.2378 5.2378 7.5766 7.5766 8.4901 8.4901 9.1604 9.1604 9.4165 9.4165 10.0591 10.0591 10.8338 10.8338 11.6456 11.6456 14.1345 14.1345 17.5026 17.5026 17.8885 17.8885 18.2024 18.2024 k = 0.3958 0.2285 0.5443 ( 2505 PWs) bands (ev): -8.8282 -8.8282 -8.8196 -8.8196 -8.7879 -8.7879 -8.7821 -8.7821 -7.8236 -7.8236 -7.8087 -7.8087 -7.7872 -7.7872 -7.7538 -7.7538 -7.7303 -7.7303 -7.7042 -7.7042 4.9340 4.9340 5.2455 5.2455 7.4900 7.4900 8.4916 8.4916 9.1843 9.1843 9.4016 9.4016 10.0472 10.0472 10.8110 10.8110 11.5816 11.5816 14.1110 14.1110 17.6067 17.6067 17.8053 17.8053 18.3027 18.3027 k = 0.3917 0.2261 0.5579 ( 2501 PWs) bands (ev): -8.8288 -8.8288 -8.8201 -8.8201 -8.7877 -8.7877 -8.7818 -8.7818 -7.8247 -7.8247 -7.8091 -7.8091 -7.7881 -7.7881 -7.7527 -7.7527 -7.7303 -7.7303 -7.7021 -7.7021 4.9977 4.9977 5.2506 5.2506 7.4070 7.4070 8.4969 8.4969 9.2066 9.2066 9.3902 9.3902 10.0351 10.0351 10.7930 10.7930 11.5195 11.5195 14.0864 14.0864 17.6071 17.6071 17.8215 17.8215 18.4014 18.4014 k = 0.3875 0.2237 0.5715 ( 2503 PWs) bands (ev): -8.8294 -8.8294 -8.8205 -8.8205 -8.7876 -8.7876 -8.7816 -8.7816 -7.8258 -7.8258 -7.8094 -7.8094 -7.7891 -7.7891 -7.7515 -7.7515 -7.7303 -7.7303 -7.7000 -7.7000 5.0577 5.0577 5.2539 5.2539 7.3302 7.3302 8.5056 8.5056 9.2257 9.2257 9.3830 9.3830 10.0231 10.0231 10.7796 10.7796 11.4597 11.4597 14.0605 14.0605 17.5213 17.5213 17.9197 17.9197 18.4973 18.4973 k = 0.3833 0.2213 0.5852 ( 2507 PWs) bands (ev): -8.8300 -8.8300 -8.8208 -8.8208 -8.7875 -8.7875 -8.7814 -8.7814 -7.8269 -7.8269 -7.8095 -7.8095 -7.7902 -7.7902 -7.7504 -7.7504 -7.7305 -7.7305 -7.6980 -7.6980 5.1084 5.1084 5.2595 5.2595 7.2617 7.2617 8.5173 8.5173 9.2402 9.2402 9.3808 9.3808 10.0117 10.0117 10.7706 10.7706 11.4025 11.4025 14.0336 14.0336 17.4221 17.4221 18.0262 18.0262 18.5898 18.5898 k = 0.3792 0.2189 0.5988 ( 2500 PWs) bands (ev): -8.8306 -8.8306 -8.8211 -8.8211 -8.7874 -8.7874 -8.7812 -8.7812 -7.8278 -7.8278 -7.8095 -7.8095 -7.7913 -7.7913 -7.7492 -7.7492 -7.7309 -7.7309 -7.6961 -7.6961 5.1379 5.1379 5.2778 5.2778 7.2038 7.2038 8.5317 8.5317 9.2491 9.2491 9.3838 9.3838 10.0017 10.0017 10.7659 10.7659 11.3482 11.3482 14.0054 14.0054 17.3221 17.3221 18.1282 18.1282 18.6781 18.6781 k = 0.3750 0.2165 0.6124 ( 2502 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8287 -7.8287 -7.8094 -7.8094 -7.7924 -7.7924 -7.7480 -7.7480 -7.7314 -7.7314 -7.6942 -7.6942 5.1371 5.1371 5.3165 5.3165 7.1583 7.1583 8.5485 8.5485 9.2530 9.2530 9.3905 9.3905 9.9939 9.9939 10.7650 10.7650 11.2973 11.2973 13.9760 13.9760 17.2236 17.2236 18.2229 18.2229 18.7613 18.7613 k = 0.6250-0.0722 0.4082 ( 2502 PWs) bands (ev): -8.8311 -8.8311 -8.8213 -8.8213 -8.7873 -8.7873 -8.7811 -8.7811 -7.8287 -7.8287 -7.8094 -7.8094 -7.7924 -7.7924 -7.7480 -7.7480 -7.7314 -7.7314 -7.6942 -7.6942 5.1371 5.1371 5.3165 5.3165 7.1583 7.1583 8.5485 8.5485 9.2530 9.2530 9.3905 9.3905 9.9939 9.9939 10.7650 10.7650 11.2973 11.2973 13.9760 13.9760 17.2236 17.2236 18.2229 18.2229 18.7613 18.7613 k = 0.6181-0.0842 0.4082 ( 2502 PWs) bands (ev): -8.8320 -8.8320 -8.8216 -8.8216 -8.7872 -8.7872 -8.7810 -8.7810 -7.8302 -7.8302 -7.8090 -7.8090 -7.7943 -7.7943 -7.7460 -7.7460 -7.7324 -7.7324 -7.6912 -7.6912 5.1130 5.1130 5.3935 5.3935 7.0953 7.0953 8.5805 8.5805 9.2558 9.2558 9.4044 9.4044 9.9843 9.9843 10.7656 10.7656 11.2168 11.2168 13.9251 13.9251 17.0637 17.0637 18.3739 18.3739 18.8974 18.8974 k = 0.6111-0.0962 0.4082 ( 2504 PWs) bands (ev): -8.8329 -8.8329 -8.8218 -8.8218 -8.7871 -8.7871 -8.7809 -8.7809 -7.8315 -7.8315 -7.8087 -7.8087 -7.7962 -7.7962 -7.7441 -7.7441 -7.7332 -7.7332 -7.6882 -7.6882 5.0891 5.0891 5.4673 5.4673 7.0353 7.0353 8.6168 8.6168 9.2584 9.2584 9.4204 9.4204 9.9766 9.9766 10.7641 10.7641 11.1386 11.1386 13.8721 13.8721 16.9098 16.9098 18.5249 18.5249 19.0373 19.0373 k = 0.6042-0.1083 0.4082 ( 2492 PWs) bands (ev): -8.8338 -8.8338 -8.8219 -8.8219 -8.7871 -8.7871 -8.7808 -8.7808 -7.8328 -7.8328 -7.8084 -7.8084 -7.7979 -7.7979 -7.7422 -7.7422 -7.7341 -7.7341 -7.6854 -7.6854 5.0663 5.0663 5.5368 5.5368 6.9788 6.9788 8.6567 8.6567 9.2615 9.2615 9.4385 9.4385 9.9710 9.9710 10.7598 10.7598 11.0628 11.0628 13.8169 13.8169 16.7633 16.7633 18.6753 18.6753 19.1805 19.1805 k = 0.5972-0.1203 0.4082 ( 2488 PWs) bands (ev): -8.8346 -8.8346 -8.8221 -8.8221 -8.7870 -8.7870 -8.7807 -8.7807 -7.8339 -7.8339 -7.8081 -7.8081 -7.7996 -7.7996 -7.7405 -7.7405 -7.7349 -7.7349 -7.6827 -7.6827 5.0449 5.0449 5.6015 5.6015 6.9258 6.9258 8.6994 8.6994 9.2656 9.2656 9.4585 9.4585 9.9674 9.9674 10.7523 10.7523 10.9897 10.9897 13.7597 13.7597 16.6252 16.6252 18.8250 18.8250 19.3267 19.3267 k = 0.5903-0.1323 0.4082 ( 2498 PWs) bands (ev): -8.8355 -8.8355 -8.8223 -8.8223 -8.7870 -8.7870 -8.7807 -8.7807 -7.8350 -7.8350 -7.8078 -7.8078 -7.8012 -7.8012 -7.7388 -7.7388 -7.7356 -7.7356 -7.6802 -7.6802 5.0249 5.0249 5.6610 5.6610 6.8765 6.8765 8.7440 8.7440 9.2716 9.2716 9.4809 9.4809 9.9658 9.9658 10.7406 10.7406 10.9196 10.9196 13.7008 13.7008 16.4963 16.4963 18.9736 18.9736 19.4755 19.4755 k = 0.5833-0.1443 0.4082 ( 2490 PWs) bands (ev): -8.8363 -8.8363 -8.8224 -8.8224 -8.7870 -8.7870 -8.7806 -8.7806 -7.8360 -7.8360 -7.8076 -7.8076 -7.8028 -7.8028 -7.7374 -7.7374 -7.7361 -7.7361 -7.6778 -7.6778 5.0063 5.0063 5.7153 5.7153 6.8311 6.8311 8.7890 8.7890 9.2802 9.2802 9.5058 9.5058 9.9663 9.9663 10.7237 10.7237 10.8534 10.8534 13.6405 13.6405 16.3772 16.3772 19.1210 19.1210 19.6262 19.6262 k = 0.5764-0.1564 0.4082 ( 2498 PWs) bands (ev): -8.8371 -8.8371 -8.8225 -8.8225 -8.7870 -8.7870 -8.7806 -8.7806 -7.8369 -7.8369 -7.8073 -7.8073 -7.8042 -7.8042 -7.7371 -7.7371 -7.7355 -7.7355 -7.6755 -7.6755 4.9892 4.9892 5.7641 5.7641 6.7896 6.7896 8.8326 8.8326 9.2922 9.2922 9.5337 9.5337 9.9687 9.9687 10.6995 10.6995 10.7928 10.7928 13.5794 13.5794 16.2683 16.2683 19.2668 19.2668 19.7783 19.7783 k = 0.5694-0.1684 0.4082 ( 2498 PWs) bands (ev): -8.8378 -8.8378 -8.8226 -8.8226 -8.7870 -8.7870 -8.7805 -8.7805 -7.8377 -7.8377 -7.8072 -7.8072 -7.8054 -7.8054 -7.7376 -7.7376 -7.7342 -7.7342 -7.6735 -7.6735 4.9735 4.9735 5.8075 5.8075 6.7522 6.7522 8.8732 8.8732 9.3082 9.3082 9.5653 9.5653 9.9731 9.9731 10.6648 10.6648 10.7406 10.7406 13.5183 13.5183 16.1698 16.1698 19.4105 19.4105 19.9310 19.9310 k = 0.5625-0.1804 0.4082 ( 2506 PWs) bands (ev): -8.8384 -8.8384 -8.8227 -8.8227 -8.7870 -8.7870 -8.7805 -8.7805 -7.8384 -7.8384 -7.8073 -7.8073 -7.8063 -7.8063 -7.7381 -7.7381 -7.7330 -7.7330 -7.6715 -7.6715 4.9594 4.9594 5.8457 5.8457 6.7189 6.7189 8.9090 8.9090 9.3282 9.3282 9.6015 9.6015 9.9796 9.9796 10.6191 10.6191 10.6971 10.6971 13.4581 13.4581 16.0817 16.0817 19.5515 19.5515 20.0834 20.0834 k = 0.5556-0.1925 0.4082 ( 2502 PWs) bands (ev): -8.8390 -8.8390 -8.8228 -8.8228 -8.7871 -8.7871 -8.7805 -8.7805 -7.8390 -7.8390 -7.8081 -7.8081 -7.8065 -7.8065 -7.7385 -7.7385 -7.7319 -7.7319 -7.6698 -7.6698 4.9467 4.9467 5.8786 5.8786 6.6896 6.6896 8.9388 8.9388 9.3515 9.3515 9.6434 9.6434 9.9883 9.9883 10.5674 10.5674 10.6571 10.6571 13.3998 13.3998 16.0040 16.0040 19.6888 19.6888 20.2344 20.2344 k = 0.5486-0.2045 0.4082 ( 2494 PWs) bands (ev): -8.8396 -8.8396 -8.8229 -8.8229 -8.7871 -8.7871 -8.7805 -8.7805 -7.8396 -7.8396 -7.8090 -7.8090 -7.8064 -7.8064 -7.7389 -7.7389 -7.7309 -7.7309 -7.6683 -7.6683 4.9356 4.9356 5.9066 5.9066 6.6643 6.6643 8.9625 8.9625 9.3766 9.3766 9.6917 9.6917 9.9992 9.9992 10.5145 10.5145 10.6157 10.6157 13.3447 13.3447 15.9364 15.9364 19.8212 19.8212 20.3828 20.3828 k = 0.5417-0.2165 0.4082 ( 2490 PWs) bands (ev): -8.8400 -8.8400 -8.8230 -8.8230 -8.7871 -8.7871 -8.7805 -8.7805 -7.8400 -7.8400 -7.8099 -7.8099 -7.8062 -7.8062 -7.7393 -7.7393 -7.7300 -7.7300 -7.6669 -7.6669 4.9259 4.9259 5.9298 5.9298 6.6429 6.6429 8.9804 8.9804 9.4015 9.4015 9.7467 9.7467 10.0124 10.0124 10.4629 10.4629 10.5705 10.5705 13.2940 13.2940 15.8788 15.8788 19.9470 19.9470 20.5271 20.5271 k = 0.5347-0.2285 0.4082 ( 2490 PWs) bands (ev): -8.8404 -8.8404 -8.8231 -8.8231 -8.7871 -8.7871 -8.7804 -8.7804 -7.8404 -7.8404 -7.8106 -7.8106 -7.8061 -7.8061 -7.7396 -7.7396 -7.7293 -7.7293 -7.6658 -7.6658 4.9177 4.9177 5.9487 5.9487 6.6252 6.6252 8.9935 8.9935 9.4243 9.4243 9.8081 9.8081 10.0278 10.0278 10.4138 10.4138 10.5209 10.5209 13.2487 13.2487 15.8307 15.8307 20.0639 20.0639 20.6651 20.6651 k = 0.5278-0.2406 0.4082 ( 2486 PWs) bands (ev): -8.8408 -8.8408 -8.8231 -8.8231 -8.7872 -8.7872 -8.7804 -8.7804 -7.8407 -7.8407 -7.8112 -7.8112 -7.8060 -7.8060 -7.7398 -7.7398 -7.7287 -7.7287 -7.6648 -7.6648 4.9110 4.9110 5.9635 5.9635 6.6111 6.6111 9.0028 9.0028 9.4439 9.4439 9.8745 9.8745 10.0452 10.0452 10.3681 10.3681 10.4666 10.4666 13.2100 13.2100 15.7919 15.7919 20.1688 20.1688 20.7942 20.7942 k = 0.5208-0.2526 0.4082 ( 2488 PWs) bands (ev): -8.8410 -8.8410 -8.8231 -8.8231 -8.7872 -8.7872 -8.7804 -8.7804 -7.8410 -7.8410 -7.8117 -7.8117 -7.8059 -7.8059 -7.7400 -7.7400 -7.7282 -7.7282 -7.6641 -7.6641 4.9058 4.9058 5.9746 5.9746 6.6004 6.6004 9.0092 9.0092 9.4594 9.4594 9.9437 9.9437 10.0641 10.0641 10.3269 10.3269 10.4086 10.4086 13.1788 13.1788 15.7620 15.7620 20.2579 20.2579 20.9105 20.9105 k = 0.5139-0.2646 0.4082 ( 2494 PWs) bands (ev): -8.8412 -8.8412 -8.8232 -8.8232 -8.7872 -8.7872 -8.7804 -8.7804 -7.8411 -7.8411 -7.8121 -7.8121 -7.8059 -7.8059 -7.7401 -7.7401 -7.7278 -7.7278 -7.6636 -7.6636 4.9021 4.9021 5.9823 5.9823 6.5929 6.5929 9.0132 9.0132 9.4707 9.4707 10.0125 10.0125 10.0828 10.0828 10.2920 10.2920 10.3488 10.3488 13.1560 13.1560 15.7409 15.7409 20.3267 20.3267 21.0093 21.0093 k = 0.5069-0.2766 0.4082 ( 2498 PWs) bands (ev): -8.8413 -8.8413 -8.8232 -8.8232 -8.7872 -8.7872 -8.7804 -8.7804 -7.8412 -7.8412 -7.8123 -7.8123 -7.8059 -7.8059 -7.7402 -7.7402 -7.7276 -7.7276 -7.6633 -7.6633 4.8998 4.8998 5.9868 5.9868 6.5885 6.5885 9.0155 9.0155 9.4774 9.4774 10.0731 10.0731 10.0986 10.0986 10.2668 10.2668 10.2936 10.2936 13.1421 13.1421 15.7283 15.7283 20.3705 20.3705 21.0831 21.0831 k = 0.5000-0.2887 0.4082 ( 2498 PWs) bands (ev): -8.8414 -8.8414 -8.8232 -8.8232 -8.7872 -8.7872 -8.7804 -8.7804 -7.8413 -7.8413 -7.8123 -7.8123 -7.8058 -7.8058 -7.7403 -7.7403 -7.7276 -7.7276 -7.6632 -7.6632 4.8991 4.8991 5.9883 5.9883 6.5870 6.5870 9.0162 9.0162 9.4797 9.4797 10.0995 10.0995 10.1085 10.1085 10.2571 10.2571 10.2658 10.2658 13.1374 13.1374 15.7242 15.7242 20.3856 20.3856 21.1146 21.1146 Writing output data file Sn2Pt.save init_run : 0.25s CPU 0.41s WALL ( 1 calls) electrons : 116.58s CPU 118.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 116.58s CPU 118.86s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 328 calls) cegterg : 107.46s CPU 109.28s WALL ( 391 calls) Called by sum_band: Called by *egterg: h_psi : 60.28s CPU 62.06s WALL ( 6589 calls) s_psi : 2.86s CPU 2.88s WALL ( 6589 calls) g_psi : 0.12s CPU 0.13s WALL ( 5870 calls) cdiaghg : 42.87s CPU 42.87s WALL ( 6198 calls) cegterg:over : 3.44s CPU 3.47s WALL ( 5870 calls) cegterg:upda : 2.20s CPU 2.37s WALL ( 5870 calls) cegterg:last : 1.34s CPU 1.42s WALL ( 1117 calls) cdiaghg:chol : 2.22s CPU 2.31s WALL ( 6198 calls) cdiaghg:inve : 1.60s CPU 1.60s WALL ( 6198 calls) cdiaghg:para : 2.40s CPU 2.49s WALL ( 12396 calls) Called by h_psi: h_psi:vloc : 53.97s CPU 55.73s WALL ( 6589 calls) h_psi:vnl : 6.21s CPU 6.22s WALL ( 6589 calls) add_vuspsi : 3.51s CPU 3.40s WALL ( 6589 calls) General routines calbec : 2.68s CPU 2.80s WALL ( 6589 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.82s CPU 51.59s WALL ( 690332 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.17s WALL ( 656 calls) Parallel routines fft_scatter : 17.77s CPU 18.38s WALL ( 690355 calls) PWSCF : 2m 8.67s CPU 2m26.48s WALL This run was terminated on: 21:10:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=