Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:34:50 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: ./ScAlAu2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 29 8 1927 636 100 Max 63 30 9 1932 657 105 Sum 2233 1069 313 69473 23289 3695 bravais-lattice index = 14 lattice parameter (alat) = 8.7323 a.u. unit-cell volume = 470.8399 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.732316 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Al 3.00 26.98150 Al( 1.00) Sc 11.00 44.95590 Sc( 1.00) Au 11.00 196.96660 Au( 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= 322 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0031056 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0031056 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0031056 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0031056 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0031056 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0031056 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0031056 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0031056 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0031056 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0031056 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0031056 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0031056 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0031056 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0031056 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0031056 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0031056 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0031056 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0031056 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0031056 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0031056 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0031056 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0031056 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0031056 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0031056 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0031056 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0031056 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0031056 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0031056 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0031056 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0031056 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0031056 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0031056 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0031056 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0031056 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0031056 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0031056 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0031056 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0031056 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0031056 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0031056 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0031056 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0031056 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0031056 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0031056 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0031056 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0031056 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0031056 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0031056 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031056 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031056 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0031056 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0031056 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0031056 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0031056 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0031056 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0031056 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0031056 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0031056 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0031056 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0031056 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0031056 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0031056 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0031056 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0031056 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0031056 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0031056 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0031056 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0031056 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0031056 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0031056 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0031056 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0031056 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0031056 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0031056 k( 76) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031056 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031056 k( 78) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031056 k( 79) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031056 k( 80) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031056 k( 81) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031056 k( 82) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031056 k( 83) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031056 k( 84) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031056 k( 85) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031056 k( 86) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031056 k( 87) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031056 k( 88) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031056 k( 89) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031056 k( 90) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031056 k( 91) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031056 k( 92) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031056 k( 93) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031056 k( 94) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031056 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031056 k( 96) = ( 0.3676471 0.2122611 0.6003651), wk = 0.0031056 k( 97) = ( 0.3602941 0.2080159 0.5883578), wk = 0.0031056 k( 98) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0031056 k( 99) = ( 0.3455882 0.1995255 0.5643432), wk = 0.0031056 k( 100) = ( 0.3382353 0.1952802 0.5523359), wk = 0.0031056 k( 101) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0031056 k( 102) = ( 0.3235294 0.1867898 0.5283213), wk = 0.0031056 k( 103) = ( 0.3161765 0.1825446 0.5163140), wk = 0.0031056 k( 104) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0031056 k( 105) = ( 0.3014706 0.1740541 0.4922994), wk = 0.0031056 k( 106) = ( 0.2941177 0.1698089 0.4802921), wk = 0.0031056 k( 107) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0031056 k( 108) = ( 0.2794118 0.1613185 0.4562775), wk = 0.0031056 k( 109) = ( 0.2720588 0.1570732 0.4442702), wk = 0.0031056 k( 110) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0031056 k( 111) = ( 0.2573529 0.1485828 0.4202556), wk = 0.0031056 k( 112) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0031056 k( 113) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0031056 k( 114) = ( 0.2352941 0.1358471 0.3842337), wk = 0.0031056 k( 115) = ( 0.2279412 0.1316019 0.3722264), wk = 0.0031056 k( 116) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0031056 k( 117) = ( 0.2132353 0.1231115 0.3482118), wk = 0.0031056 k( 118) = ( 0.2058823 0.1188662 0.3362045), wk = 0.0031056 k( 119) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0031056 k( 120) = ( 0.1911765 0.1103758 0.3121899), wk = 0.0031056 k( 121) = ( 0.1838235 0.1061306 0.3001826), wk = 0.0031056 k( 122) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0031056 k( 123) = ( 0.1691177 0.0976401 0.2761680), wk = 0.0031056 k( 124) = ( 0.1617647 0.0933949 0.2641607), wk = 0.0031056 k( 125) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0031056 k( 126) = ( 0.1470588 0.0849044 0.2401461), wk = 0.0031056 k( 127) = ( 0.1397059 0.0806592 0.2281387), wk = 0.0031056 k( 128) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0031056 k( 129) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0031056 k( 130) = ( 0.1176471 0.0679236 0.1921168), wk = 0.0031056 k( 131) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0031056 k( 132) = ( 0.1029412 0.0594331 0.1681022), wk = 0.0031056 k( 133) = ( 0.0955882 0.0551879 0.1560949), wk = 0.0031056 k( 134) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0031056 k( 135) = ( 0.0808824 0.0466974 0.1320803), wk = 0.0031056 k( 136) = ( 0.0735294 0.0424522 0.1200730), wk = 0.0031056 k( 137) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0031056 k( 138) = ( 0.0588235 0.0339618 0.0960584), wk = 0.0031056 k( 139) = ( 0.0514706 0.0297166 0.0840511), wk = 0.0031056 k( 140) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0031056 k( 141) = ( 0.0367647 0.0212261 0.0600365), wk = 0.0031056 k( 142) = ( 0.0294118 0.0169809 0.0480292), wk = 0.0031056 k( 143) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0031056 k( 144) = ( 0.0147059 0.0084904 0.0240146), wk = 0.0031056 k( 145) = ( 0.0073529 0.0042452 0.0120073), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 148) = ( 0.0119048 0.0068732 0.0048601), wk = 0.0031056 k( 149) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0031056 k( 150) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0031056 k( 151) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0031056 k( 152) = ( 0.0595238 0.0343661 0.0243005), wk = 0.0031056 k( 153) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0031056 k( 154) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0031056 k( 155) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0031056 k( 156) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0031056 k( 157) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0031056 k( 158) = ( 0.1309524 0.0756054 0.0534611), wk = 0.0031056 k( 159) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0031056 k( 160) = ( 0.1547619 0.0893518 0.0631813), wk = 0.0031056 k( 161) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0031056 k( 162) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0031056 k( 163) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0031056 k( 164) = ( 0.2023810 0.1168447 0.0826217), wk = 0.0031056 k( 165) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0031056 k( 166) = ( 0.2261905 0.1305911 0.0923419), wk = 0.0031056 k( 167) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0031056 k( 168) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0031056 k( 169) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0031056 k( 170) = ( 0.2738095 0.1580840 0.1117823), wk = 0.0031056 k( 171) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0031056 k( 172) = ( 0.2976190 0.1718304 0.1215025), wk = 0.0031056 k( 173) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0031056 k( 174) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0031056 k( 175) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0031056 k( 176) = ( 0.3452381 0.1993233 0.1409429), wk = 0.0031056 k( 177) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0031056 k( 178) = ( 0.3690476 0.2130697 0.1506631), wk = 0.0031056 k( 179) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0031056 k( 180) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0031056 k( 181) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0031056 k( 182) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0031056 k( 183) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0031056 k( 184) = ( 0.4404762 0.2543090 0.1798237), wk = 0.0031056 k( 185) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0031056 k( 186) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0031056 k( 187) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0031056 k( 188) = ( 0.4880952 0.2818019 0.1992640), wk = 0.0031056 k( 189) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031056 k( 190) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031056 k( 191) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0031056 k( 192) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0031056 k( 193) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0031056 k( 194) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0031056 k( 195) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0031056 k( 196) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0031056 k( 197) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0031056 k( 198) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0031056 k( 199) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0031056 k( 200) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0031056 k( 201) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0031056 k( 202) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0031056 k( 203) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0031056 k( 204) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0031056 k( 205) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0031056 k( 206) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0031056 k( 207) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0031056 k( 208) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0031056 k( 209) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0031056 k( 210) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0031056 k( 211) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0031056 k( 212) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0031056 k( 213) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0031056 k( 214) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0031056 k( 215) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0031056 k( 216) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0031056 k( 217) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0031056 k( 218) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0031056 k( 219) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0031056 k( 220) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031056 k( 221) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031056 k( 222) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031056 k( 223) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031056 k( 224) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031056 k( 225) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031056 k( 226) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031056 k( 227) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031056 k( 228) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031056 k( 229) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031056 k( 230) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031056 k( 231) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031056 k( 232) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031056 k( 233) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031056 k( 234) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031056 k( 235) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031056 k( 236) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031056 k( 237) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031056 k( 238) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031056 k( 239) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031056 k( 240) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031056 k( 241) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031056 k( 242) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031056 k( 243) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031056 k( 244) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031056 k( 245) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031056 k( 246) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031056 k( 247) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031056 k( 248) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031056 k( 249) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031056 k( 250) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031056 k( 251) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031056 k( 252) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031056 k( 253) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031056 k( 254) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031056 k( 255) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031056 k( 256) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031056 k( 257) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031056 k( 258) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031056 k( 259) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031056 k( 260) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031056 k( 261) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031056 k( 262) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031056 k( 263) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031056 k( 264) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031056 k( 265) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031056 k( 266) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031056 k( 267) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031056 k( 268) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031056 k( 269) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031056 k( 270) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031056 k( 271) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031056 k( 272) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031056 k( 273) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031056 k( 274) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031056 k( 275) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0031056 k( 276) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0031056 k( 277) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0031056 k( 278) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0031056 k( 279) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0031056 k( 280) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0031056 k( 281) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0031056 k( 282) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0031056 k( 283) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0031056 k( 284) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0031056 k( 285) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0031056 k( 286) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0031056 k( 287) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0031056 k( 288) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0031056 k( 289) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0031056 k( 290) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0031056 k( 291) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0031056 k( 292) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0031056 k( 293) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0031056 k( 294) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0031056 k( 295) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0031056 k( 296) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0031056 k( 297) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0031056 k( 298) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0031056 k( 299) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0031056 k( 300) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0031056 k( 301) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0031056 k( 302) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0031056 k( 303) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0031056 k( 304) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031056 k( 305) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031056 k( 306) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031056 k( 307) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031056 k( 308) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031056 k( 309) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031056 k( 310) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031056 k( 311) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031056 k( 312) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031056 k( 313) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031056 k( 314) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031056 k( 315) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031056 k( 316) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031056 k( 317) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031056 k( 318) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031056 k( 319) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031056 k( 320) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031056 k( 321) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031056 k( 322) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031056 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0102041 0.0000000 0.0102041), wk = 0.0031056 k( 3) = ( 0.0204082 0.0000000 0.0204082), wk = 0.0031056 k( 4) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0031056 k( 5) = ( 0.0408163 0.0000000 0.0408163), wk = 0.0031056 k( 6) = ( 0.0510204 0.0000000 0.0510204), wk = 0.0031056 k( 7) = ( 0.0612245 0.0000000 0.0612245), wk = 0.0031056 k( 8) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0031056 k( 9) = ( 0.0816327 0.0000000 0.0816327), wk = 0.0031056 k( 10) = ( 0.0918367 0.0000000 0.0918367), wk = 0.0031056 k( 11) = ( 0.1020408 0.0000000 0.1020408), wk = 0.0031056 k( 12) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0031056 k( 13) = ( 0.1224490 0.0000000 0.1224490), wk = 0.0031056 k( 14) = ( 0.1326531 -0.0000000 0.1326531), wk = 0.0031056 k( 15) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0031056 k( 16) = ( 0.1530612 0.0000000 0.1530612), wk = 0.0031056 k( 17) = ( 0.1632653 0.0000000 0.1632653), wk = 0.0031056 k( 18) = ( 0.1734694 0.0000000 0.1734694), wk = 0.0031056 k( 19) = ( 0.1836735 0.0000000 0.1836735), wk = 0.0031056 k( 20) = ( 0.1938776 0.0000000 0.1938776), wk = 0.0031056 k( 21) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0031056 k( 22) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0031056 k( 23) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0031056 k( 24) = ( 0.2346939 0.0000000 0.2346939), wk = 0.0031056 k( 25) = ( 0.2448980 0.0000000 0.2448980), wk = 0.0031056 k( 26) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0031056 k( 27) = ( 0.2653061 -0.0000000 0.2653061), wk = 0.0031056 k( 28) = ( 0.2755102 0.0000000 0.2755102), wk = 0.0031056 k( 29) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0031056 k( 30) = ( 0.2959184 0.0000000 0.2959184), wk = 0.0031056 k( 31) = ( 0.3061224 -0.0000000 0.3061224), wk = 0.0031056 k( 32) = ( 0.3163265 0.0000000 0.3163265), wk = 0.0031056 k( 33) = ( 0.3265306 0.0000000 0.3265306), wk = 0.0031056 k( 34) = ( 0.3367347 0.0000000 0.3367347), wk = 0.0031056 k( 35) = ( 0.3469388 0.0000000 0.3469388), wk = 0.0031056 k( 36) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0031056 k( 37) = ( 0.3673469 0.0000000 0.3673469), wk = 0.0031056 k( 38) = ( 0.3775510 0.0000000 0.3775510), wk = 0.0031056 k( 39) = ( 0.3877551 0.0000000 0.3877551), wk = 0.0031056 k( 40) = ( 0.3979592 0.0000000 0.3979592), wk = 0.0031056 k( 41) = ( 0.4081633 0.0000000 0.4081633), wk = 0.0031056 k( 42) = ( 0.4183674 0.0000000 0.4183674), wk = 0.0031056 k( 43) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0031056 k( 44) = ( 0.4387755 0.0000000 0.4387755), wk = 0.0031056 k( 45) = ( 0.4489796 0.0000000 0.4489796), wk = 0.0031056 k( 46) = ( 0.4591837 0.0000000 0.4591837), wk = 0.0031056 k( 47) = ( 0.4693878 0.0000000 0.4693878), wk = 0.0031056 k( 48) = ( 0.4795918 0.0000000 0.4795918), wk = 0.0031056 k( 49) = ( 0.4897959 0.0000000 0.4897959), wk = 0.0031056 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031056 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031056 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0031056 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0031056 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0031056 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0031056 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0031056 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0031056 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0031056 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0031056 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0031056 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0031056 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0031056 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0031056 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0031056 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0031056 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0031056 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0031056 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0031056 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0031056 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0031056 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0031056 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0031056 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0031056 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0031056 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0031056 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031056 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031056 k( 78) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031056 k( 79) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031056 k( 80) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031056 k( 81) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031056 k( 82) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031056 k( 83) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031056 k( 84) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031056 k( 85) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031056 k( 86) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031056 k( 87) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031056 k( 88) = ( 0.4191177 0.3308824 0.7500000), wk = 0.0031056 k( 89) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031056 k( 90) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031056 k( 91) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031056 k( 92) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031056 k( 93) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031056 k( 94) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031056 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031056 k( 96) = ( 0.3676471 0.3676471 0.7352941), wk = 0.0031056 k( 97) = ( 0.3602941 0.3602941 0.7205882), wk = 0.0031056 k( 98) = ( 0.3529412 0.3529412 0.7058824), wk = 0.0031056 k( 99) = ( 0.3455882 0.3455882 0.6911765), wk = 0.0031056 k( 100) = ( 0.3382353 0.3382353 0.6764706), wk = 0.0031056 k( 101) = ( 0.3308823 0.3308824 0.6617647), wk = 0.0031056 k( 102) = ( 0.3235294 0.3235294 0.6470588), wk = 0.0031056 k( 103) = ( 0.3161765 0.3161765 0.6323529), wk = 0.0031056 k( 104) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0031056 k( 105) = ( 0.3014706 0.3014706 0.6029412), wk = 0.0031056 k( 106) = ( 0.2941177 0.2941177 0.5882353), wk = 0.0031056 k( 107) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0031056 k( 108) = ( 0.2794118 0.2794118 0.5588235), wk = 0.0031056 k( 109) = ( 0.2720588 0.2720588 0.5441177), wk = 0.0031056 k( 110) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0031056 k( 111) = ( 0.2573529 0.2573529 0.5147059), wk = 0.0031056 k( 112) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031056 k( 113) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0031056 k( 114) = ( 0.2352941 0.2352941 0.4705882), wk = 0.0031056 k( 115) = ( 0.2279412 0.2279412 0.4558824), wk = 0.0031056 k( 116) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0031056 k( 117) = ( 0.2132353 0.2132353 0.4264706), wk = 0.0031056 k( 118) = ( 0.2058823 0.2058824 0.4117647), wk = 0.0031056 k( 119) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0031056 k( 120) = ( 0.1911765 0.1911765 0.3823529), wk = 0.0031056 k( 121) = ( 0.1838235 0.1838235 0.3676471), wk = 0.0031056 k( 122) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0031056 k( 123) = ( 0.1691177 0.1691177 0.3382353), wk = 0.0031056 k( 124) = ( 0.1617647 0.1617647 0.3235294), wk = 0.0031056 k( 125) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0031056 k( 126) = ( 0.1470588 0.1470588 0.2941177), wk = 0.0031056 k( 127) = ( 0.1397059 0.1397059 0.2794118), wk = 0.0031056 k( 128) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0031056 k( 129) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0031056 k( 130) = ( 0.1176471 0.1176471 0.2352941), wk = 0.0031056 k( 131) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0031056 k( 132) = ( 0.1029412 0.1029412 0.2058824), wk = 0.0031056 k( 133) = ( 0.0955882 0.0955882 0.1911765), wk = 0.0031056 k( 134) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0031056 k( 135) = ( 0.0808824 0.0808824 0.1617647), wk = 0.0031056 k( 136) = ( 0.0735294 0.0735294 0.1470588), wk = 0.0031056 k( 137) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0031056 k( 138) = ( 0.0588235 0.0588235 0.1176471), wk = 0.0031056 k( 139) = ( 0.0514706 0.0514706 0.1029412), wk = 0.0031056 k( 140) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0031056 k( 141) = ( 0.0367647 0.0367647 0.0735294), wk = 0.0031056 k( 142) = ( 0.0294118 0.0294118 0.0588235), wk = 0.0031056 k( 143) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0031056 k( 144) = ( 0.0147059 0.0147059 0.0294118), wk = 0.0031056 k( 145) = ( 0.0073529 0.0073529 0.0147059), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 148) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0031056 k( 149) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0031056 k( 150) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031056 k( 151) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0031056 k( 152) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0031056 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031056 k( 154) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031056 k( 155) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0031056 k( 156) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031056 k( 157) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0031056 k( 158) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0031056 k( 159) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031056 k( 160) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0031056 k( 161) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031056 k( 162) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031056 k( 163) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0031056 k( 164) = ( 0.2023810 0.2023810 0.2023810), wk = 0.0031056 k( 165) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031056 k( 166) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0031056 k( 167) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0031056 k( 168) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 169) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0031056 k( 170) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0031056 k( 171) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031056 k( 172) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0031056 k( 173) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0031056 k( 174) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031056 k( 175) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031056 k( 176) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0031056 k( 177) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031056 k( 178) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0031056 k( 179) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0031056 k( 180) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031056 k( 181) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0031056 k( 182) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031056 k( 183) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031056 k( 184) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0031056 k( 185) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0031056 k( 186) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031056 k( 187) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0031056 k( 188) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0031056 k( 189) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 190) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 191) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0031056 k( 192) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0031056 k( 193) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0031056 k( 194) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0031056 k( 195) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0031056 k( 196) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0031056 k( 197) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0031056 k( 198) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0031056 k( 199) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0031056 k( 200) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0031056 k( 201) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0031056 k( 202) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0031056 k( 203) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0031056 k( 204) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0031056 k( 205) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0031056 k( 206) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0031056 k( 207) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0031056 k( 208) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0031056 k( 209) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0031056 k( 210) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0031056 k( 211) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0031056 k( 212) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0031056 k( 213) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0031056 k( 214) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0031056 k( 215) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0031056 k( 216) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0031056 k( 217) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0031056 k( 218) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0031056 k( 219) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0031056 k( 220) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031056 k( 221) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031056 k( 222) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031056 k( 223) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031056 k( 224) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031056 k( 225) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031056 k( 226) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031056 k( 227) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031056 k( 228) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031056 k( 229) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031056 k( 230) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031056 k( 231) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031056 k( 232) = ( 0.5441177 0.2500000 0.7058824), wk = 0.0031056 k( 233) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031056 k( 234) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031056 k( 235) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031056 k( 236) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031056 k( 237) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031056 k( 238) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031056 k( 239) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031056 k( 240) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031056 k( 241) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031056 k( 242) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031056 k( 243) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031056 k( 244) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031056 k( 245) = ( 0.5000000 0.2941177 0.7058824), wk = 0.0031056 k( 246) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031056 k( 247) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031056 k( 248) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031056 k( 249) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031056 k( 250) = ( 0.5000000 0.3308824 0.6691177), wk = 0.0031056 k( 251) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031056 k( 252) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031056 k( 253) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031056 k( 254) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031056 k( 255) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031056 k( 256) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031056 k( 257) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031056 k( 258) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031056 k( 259) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031056 k( 260) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031056 k( 261) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031056 k( 262) = ( 0.5000000 0.4191177 0.5808824), wk = 0.0031056 k( 263) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031056 k( 264) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031056 k( 265) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031056 k( 266) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031056 k( 267) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0031056 k( 268) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031056 k( 269) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031056 k( 270) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031056 k( 271) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031056 k( 272) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031056 k( 273) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 274) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 275) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0031056 k( 276) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0031056 k( 277) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0031056 k( 278) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0031056 k( 279) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0031056 k( 280) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0031056 k( 281) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0031056 k( 282) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0031056 k( 283) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0031056 k( 284) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0031056 k( 285) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0031056 k( 286) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0031056 k( 287) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0031056 k( 288) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0031056 k( 289) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0031056 k( 290) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0031056 k( 291) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0031056 k( 292) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0031056 k( 293) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0031056 k( 294) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0031056 k( 295) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0031056 k( 296) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0031056 k( 297) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0031056 k( 298) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0031056 k( 299) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0031056 k( 300) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0031056 k( 301) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0031056 k( 302) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0031056 k( 303) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0031056 k( 304) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031056 k( 305) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031056 k( 306) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031056 k( 307) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031056 k( 308) = ( 0.6029412 0.2058824 0.6029412), wk = 0.0031056 k( 309) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031056 k( 310) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031056 k( 311) = ( 0.5808823 0.1617647 0.5808824), wk = 0.0031056 k( 312) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031056 k( 313) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031056 k( 314) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031056 k( 315) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031056 k( 316) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031056 k( 317) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031056 k( 318) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031056 k( 319) = ( 0.5220588 0.0441177 0.5220588), wk = 0.0031056 k( 320) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031056 k( 321) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031056 k( 322) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031056 Dense grid: 69473 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 23289 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 158, 44) NL pseudopotentials 0.16 Mb ( 79, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1928) G-vector shells 0.00 Mb ( 473) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 158, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ScAlAu2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.5 secs Computing kpt #: 2 total cpu time spent up to now is 6.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 secs Computing kpt #: 7 total cpu time spent up to now is 8.2 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.0 secs Computing kpt #: 10 total cpu time spent up to now is 9.4 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.2 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.0 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 11.9 secs Computing kpt #: 17 total cpu time spent up to now is 12.4 secs Computing kpt #: 18 total cpu time spent up to now is 12.8 secs Computing kpt #: 19 total cpu time spent up to now is 13.4 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 14.6 secs Computing kpt #: 21 total cpu time spent up to now is 15.4 secs Computing kpt #: 22 total cpu time spent up to now is 16.0 secs Computing kpt #: 23 total cpu time spent up to now is 16.4 secs Computing kpt #: 24 total cpu time spent up to now is 16.9 secs Computing kpt #: 25 total cpu time spent up to now is 17.4 secs Computing kpt #: 26 total cpu time spent up to now is 17.9 secs Computing kpt #: 27 total cpu time spent up to now is 18.3 secs Computing kpt #: 28 total cpu time spent up to now is 18.8 secs Computing kpt #: 29 total cpu time spent up to now is 19.2 secs Computing kpt #: 30 total cpu time spent up to now is 19.7 secs Computing kpt #: 31 total cpu time spent up to now is 20.1 secs Computing kpt #: 32 total cpu time spent up to now is 20.6 secs Computing kpt #: 33 total cpu time spent up to now is 21.2 secs Computing kpt #: 34 total cpu time spent up to now is 21.7 secs Computing kpt #: 35 total cpu time spent up to now is 22.2 secs Computing kpt #: 36 total cpu time spent up to now is 22.7 secs Computing kpt #: 37 total cpu time spent up to now is 23.2 secs Computing kpt #: 38 total cpu time spent up to now is 23.7 secs Computing kpt #: 39 total cpu time spent up to now is 24.1 secs Computing kpt #: 40 total cpu time spent up to now is 24.6 secs Computing kpt #: 41 total cpu time spent up to now is 25.0 secs Computing kpt #: 42 total cpu time spent up to now is 25.5 secs Computing kpt #: 43 total cpu time spent up to now is 25.9 secs Computing kpt #: 44 total cpu time spent up to now is 26.4 secs Computing kpt #: 45 total cpu time spent up to now is 26.8 secs Computing kpt #: 46 total cpu time spent up to now is 27.2 secs Computing kpt #: 47 total cpu time spent up to now is 27.7 secs Computing kpt #: 48 total cpu time spent up to now is 28.1 secs Computing kpt #: 49 total cpu time spent up to now is 28.5 secs Computing kpt #: 50 total cpu time spent up to now is 29.0 secs Computing kpt #: 51 total cpu time spent up to now is 29.4 secs Computing kpt #: 52 total cpu time spent up to now is 29.8 secs Computing kpt #: 53 total cpu time spent up to now is 30.3 secs Computing kpt #: 54 total cpu time spent up to now is 30.7 secs Computing kpt #: 55 total cpu time spent up to now is 31.1 secs Computing kpt #: 56 total cpu time spent up to now is 31.5 secs Computing kpt #: 57 total cpu time spent up to now is 31.9 secs Computing kpt #: 58 total cpu time spent up to now is 32.4 secs Computing kpt #: 59 total cpu time spent up to now is 32.8 secs Computing kpt #: 60 total cpu time spent up to now is 33.2 secs Computing kpt #: 61 total cpu time spent up to now is 33.7 secs Computing kpt #: 62 total cpu time spent up to now is 34.1 secs Computing kpt #: 63 total cpu time spent up to now is 34.5 secs Computing kpt #: 64 total cpu time spent up to now is 34.9 secs Computing kpt #: 65 total cpu time spent up to now is 35.4 secs Computing kpt #: 66 total cpu time spent up to now is 35.8 secs Computing kpt #: 67 total cpu time spent up to now is 36.2 secs Computing kpt #: 68 total cpu time spent up to now is 36.7 secs Computing kpt #: 69 total cpu time spent up to now is 37.2 secs Computing kpt #: 70 total cpu time spent up to now is 37.6 secs Computing kpt #: 71 total cpu time spent up to now is 38.1 secs Computing kpt #: 72 total cpu time spent up to now is 38.6 secs Computing kpt #: 73 total cpu time spent up to now is 39.1 secs Computing kpt #: 74 total cpu time spent up to now is 39.5 secs Computing kpt #: 75 total cpu time spent up to now is 40.0 secs Computing kpt #: 76 total cpu time spent up to now is 40.5 secs Computing kpt #: 77 total cpu time spent up to now is 41.0 secs Computing kpt #: 78 total cpu time spent up to now is 41.4 secs Computing kpt #: 79 total cpu time spent up to now is 41.9 secs Computing kpt #: 80 total cpu time spent up to now is 42.4 secs Computing kpt #: 81 total cpu time spent up to now is 42.9 secs Computing kpt #: 82 total cpu time spent up to now is 43.3 secs Computing kpt #: 83 total cpu time spent up to now is 43.8 secs Computing kpt #: 84 total cpu time spent up to now is 44.3 secs Computing kpt #: 85 total cpu time spent up to now is 44.8 secs Computing kpt #: 86 total cpu time spent up to now is 45.3 secs Computing kpt #: 87 total cpu time spent up to now is 45.8 secs Computing kpt #: 88 total cpu time spent up to now is 46.3 secs Computing kpt #: 89 total cpu time spent up to now is 46.7 secs Computing kpt #: 90 total cpu time spent up to now is 47.2 secs Computing kpt #: 91 total cpu time spent up to now is 47.7 secs Computing kpt #: 92 total cpu time spent up to now is 48.2 secs Computing kpt #: 93 total cpu time spent up to now is 48.7 secs Computing kpt #: 94 total cpu time spent up to now is 49.2 secs Computing kpt #: 95 total cpu time spent up to now is 49.6 secs Computing kpt #: 96 total cpu time spent up to now is 50.1 secs Computing kpt #: 97 total cpu time spent up to now is 50.6 secs Computing kpt #: 98 total cpu time spent up to now is 51.1 secs Computing kpt #: 99 total cpu time spent up to now is 51.6 secs Computing kpt #: 100 total cpu time spent up to now is 52.1 secs Computing kpt #: 101 total cpu time spent up to now is 52.6 secs Computing kpt #: 102 total cpu time spent up to now is 53.0 secs Computing kpt #: 103 total cpu time spent up to now is 53.5 secs Computing kpt #: 104 total cpu time spent up to now is 53.9 secs Computing kpt #: 105 total cpu time spent up to now is 54.3 secs Computing kpt #: 106 total cpu time spent up to now is 54.8 secs Computing kpt #: 107 total cpu time spent up to now is 55.2 secs Computing kpt #: 108 total cpu time spent up to now is 55.6 secs Computing kpt #: 109 total cpu time spent up to now is 56.1 secs Computing kpt #: 110 total cpu time spent up to now is 56.5 secs Computing kpt #: 111 total cpu time spent up to now is 56.9 secs Computing kpt #: 112 total cpu time spent up to now is 57.4 secs Computing kpt #: 113 total cpu time spent up to now is 57.8 secs Computing kpt #: 114 total cpu time spent up to now is 58.3 secs Computing kpt #: 115 total cpu time spent up to now is 58.7 secs Computing kpt #: 116 total cpu time spent up to now is 59.2 secs Computing kpt #: 117 total cpu time spent up to now is 59.8 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.0 secs Computing kpt #: 119 total cpu time spent up to now is 61.6 secs Computing kpt #: 120 total cpu time spent up to now is 62.3 secs Computing kpt #: 121 total cpu time spent up to now is 63.0 secs Computing kpt #: 122 total cpu time spent up to now is 63.7 secs Computing kpt #: 123 total cpu time spent up to now is 64.4 secs Computing kpt #: 124 total cpu time spent up to now is 65.1 secs Computing kpt #: 125 total cpu time spent up to now is 65.8 secs Computing kpt #: 126 total cpu time spent up to now is 66.4 secs Computing kpt #: 127 total cpu time spent up to now is 67.0 secs Computing kpt #: 128 total cpu time spent up to now is 67.5 secs Computing kpt #: 129 total cpu time spent up to now is 68.0 secs Computing kpt #: 130 total cpu time spent up to now is 68.5 secs Computing kpt #: 131 total cpu time spent up to now is 69.0 secs Computing kpt #: 132 total cpu time spent up to now is 69.4 secs Computing kpt #: 133 total cpu time spent up to now is 69.9 secs Computing kpt #: 134 total cpu time spent up to now is 70.3 secs Computing kpt #: 135 total cpu time spent up to now is 70.7 secs Computing kpt #: 136 total cpu time spent up to now is 71.2 secs Computing kpt #: 137 total cpu time spent up to now is 71.6 secs Computing kpt #: 138 total cpu time spent up to now is 72.0 secs Computing kpt #: 139 total cpu time spent up to now is 72.4 secs Computing kpt #: 140 total cpu time spent up to now is 73.9 secs Computing kpt #: 141 total cpu time spent up to now is 74.3 secs Computing kpt #: 142 total cpu time spent up to now is 74.7 secs Computing kpt #: 143 total cpu time spent up to now is 75.2 secs Computing kpt #: 144 total cpu time spent up to now is 75.7 secs Computing kpt #: 145 total cpu time spent up to now is 76.1 secs Computing kpt #: 146 total cpu time spent up to now is 76.5 secs Computing kpt #: 147 total cpu time spent up to now is 77.0 secs Computing kpt #: 148 total cpu time spent up to now is 77.4 secs Computing kpt #: 149 total cpu time spent up to now is 77.9 secs Computing kpt #: 150 total cpu time spent up to now is 78.3 secs Computing kpt #: 151 total cpu time spent up to now is 78.8 secs Computing kpt #: 152 total cpu time spent up to now is 79.2 secs Computing kpt #: 153 total cpu time spent up to now is 79.6 secs Computing kpt #: 154 total cpu time spent up to now is 80.0 secs Computing kpt #: 155 total cpu time spent up to now is 80.4 secs Computing kpt #: 156 total cpu time spent up to now is 80.8 secs Computing kpt #: 157 total cpu time spent up to now is 81.2 secs Computing kpt #: 158 total cpu time spent up to now is 81.6 secs Computing kpt #: 159 total cpu time spent up to now is 82.0 secs Computing kpt #: 160 total cpu time spent up to now is 82.5 secs Computing kpt #: 161 total cpu time spent up to now is 83.0 secs Computing kpt #: 162 total cpu time spent up to now is 83.5 secs Computing kpt #: 163 total cpu time spent up to now is 84.0 secs Computing kpt #: 164 total cpu time spent up to now is 84.5 secs Computing kpt #: 165 total cpu time spent up to now is 85.0 secs Computing kpt #: 166 total cpu time spent up to now is 85.4 secs Computing kpt #: 167 total cpu time spent up to now is 85.9 secs Computing kpt #: 168 total cpu time spent up to now is 86.3 secs Computing kpt #: 169 total cpu time spent up to now is 86.7 secs Computing kpt #: 170 total cpu time spent up to now is 87.1 secs Computing kpt #: 171 total cpu time spent up to now is 87.6 secs Computing kpt #: 172 total cpu time spent up to now is 88.0 secs Computing kpt #: 173 total cpu time spent up to now is 88.4 secs Computing kpt #: 174 total cpu time spent up to now is 88.9 secs Computing kpt #: 175 total cpu time spent up to now is 89.3 secs Computing kpt #: 176 total cpu time spent up to now is 89.7 secs Computing kpt #: 177 total cpu time spent up to now is 90.2 secs Computing kpt #: 178 total cpu time spent up to now is 90.6 secs Computing kpt #: 179 total cpu time spent up to now is 91.0 secs Computing kpt #: 180 total cpu time spent up to now is 91.5 secs Computing kpt #: 181 total cpu time spent up to now is 91.9 secs Computing kpt #: 182 total cpu time spent up to now is 92.3 secs Computing kpt #: 183 total cpu time spent up to now is 92.7 secs Computing kpt #: 184 total cpu time spent up to now is 93.2 secs Computing kpt #: 185 total cpu time spent up to now is 93.6 secs Computing kpt #: 186 total cpu time spent up to now is 94.0 secs Computing kpt #: 187 total cpu time spent up to now is 94.4 secs Computing kpt #: 188 total cpu time spent up to now is 94.8 secs Computing kpt #: 189 total cpu time spent up to now is 95.2 secs Computing kpt #: 190 total cpu time spent up to now is 95.6 secs Computing kpt #: 191 total cpu time spent up to now is 96.0 secs Computing kpt #: 192 total cpu time spent up to now is 96.5 secs Computing kpt #: 193 total cpu time spent up to now is 96.9 secs Computing kpt #: 194 total cpu time spent up to now is 97.3 secs Computing kpt #: 195 total cpu time spent up to now is 97.7 secs Computing kpt #: 196 total cpu time spent up to now is 98.2 secs Computing kpt #: 197 total cpu time spent up to now is 98.6 secs Computing kpt #: 198 total cpu time spent up to now is 99.0 secs Computing kpt #: 199 total cpu time spent up to now is 99.5 secs Computing kpt #: 200 total cpu time spent up to now is 99.9 secs Computing kpt #: 201 total cpu time spent up to now is 100.4 secs Computing kpt #: 202 total cpu time spent up to now is 100.9 secs Computing kpt #: 203 total cpu time spent up to now is 101.4 secs Computing kpt #: 204 total cpu time spent up to now is 101.9 secs Computing kpt #: 205 total cpu time spent up to now is 102.4 secs Computing kpt #: 206 total cpu time spent up to now is 103.1 secs Computing kpt #: 207 total cpu time spent up to now is 103.6 secs Computing kpt #: 208 total cpu time spent up to now is 104.1 secs Computing kpt #: 209 total cpu time spent up to now is 104.6 secs Computing kpt #: 210 total cpu time spent up to now is 105.1 secs Computing kpt #: 211 total cpu time spent up to now is 105.6 secs Computing kpt #: 212 total cpu time spent up to now is 106.1 secs Computing kpt #: 213 total cpu time spent up to now is 106.6 secs Computing kpt #: 214 total cpu time spent up to now is 107.1 secs Computing kpt #: 215 total cpu time spent up to now is 107.6 secs Computing kpt #: 216 total cpu time spent up to now is 108.2 secs Computing kpt #: 217 total cpu time spent up to now is 108.7 secs Computing kpt #: 218 total cpu time spent up to now is 109.2 secs Computing kpt #: 219 total cpu time spent up to now is 109.7 secs Computing kpt #: 220 total cpu time spent up to now is 110.1 secs Computing kpt #: 221 total cpu time spent up to now is 110.6 secs Computing kpt #: 222 total cpu time spent up to now is 111.1 secs Computing kpt #: 223 total cpu time spent up to now is 111.6 secs Computing kpt #: 224 total cpu time spent up to now is 112.0 secs Computing kpt #: 225 total cpu time spent up to now is 112.5 secs Computing kpt #: 226 total cpu time spent up to now is 113.0 secs Computing kpt #: 227 total cpu time spent up to now is 113.5 secs Computing kpt #: 228 total cpu time spent up to now is 114.0 secs Computing kpt #: 229 total cpu time spent up to now is 114.5 secs Computing kpt #: 230 total cpu time spent up to now is 115.0 secs Computing kpt #: 231 total cpu time spent up to now is 115.4 secs Computing kpt #: 232 total cpu time spent up to now is 115.9 secs Computing kpt #: 233 total cpu time spent up to now is 116.4 secs Computing kpt #: 234 total cpu time spent up to now is 116.9 secs Computing kpt #: 235 total cpu time spent up to now is 117.4 secs Computing kpt #: 236 total cpu time spent up to now is 117.9 secs Computing kpt #: 237 total cpu time spent up to now is 118.4 secs Computing kpt #: 238 total cpu time spent up to now is 118.9 secs Computing kpt #: 239 total cpu time spent up to now is 119.3 secs Computing kpt #: 240 total cpu time spent up to now is 119.8 secs Computing kpt #: 241 total cpu time spent up to now is 120.3 secs Computing kpt #: 242 total cpu time spent up to now is 120.8 secs Computing kpt #: 243 total cpu time spent up to now is 121.3 secs Computing kpt #: 244 total cpu time spent up to now is 121.8 secs Computing kpt #: 245 total cpu time spent up to now is 122.2 secs Computing kpt #: 246 total cpu time spent up to now is 122.7 secs Computing kpt #: 247 total cpu time spent up to now is 123.2 secs Computing kpt #: 248 total cpu time spent up to now is 123.7 secs Computing kpt #: 249 total cpu time spent up to now is 124.2 secs Computing kpt #: 250 total cpu time spent up to now is 124.6 secs Computing kpt #: 251 total cpu time spent up to now is 125.1 secs Computing kpt #: 252 total cpu time spent up to now is 125.6 secs Computing kpt #: 253 total cpu time spent up to now is 126.1 secs Computing kpt #: 254 total cpu time spent up to now is 126.6 secs Computing kpt #: 255 total cpu time spent up to now is 127.1 secs Computing kpt #: 256 total cpu time spent up to now is 127.5 secs Computing kpt #: 257 total cpu time spent up to now is 128.0 secs Computing kpt #: 258 total cpu time spent up to now is 128.5 secs Computing kpt #: 259 total cpu time spent up to now is 129.0 secs Computing kpt #: 260 total cpu time spent up to now is 129.5 secs Computing kpt #: 261 total cpu time spent up to now is 130.0 secs Computing kpt #: 262 total cpu time spent up to now is 130.5 secs Computing kpt #: 263 total cpu time spent up to now is 131.0 secs Computing kpt #: 264 total cpu time spent up to now is 131.4 secs Computing kpt #: 265 total cpu time spent up to now is 131.8 secs Computing kpt #: 266 total cpu time spent up to now is 132.3 secs Computing kpt #: 267 total cpu time spent up to now is 132.7 secs Computing kpt #: 268 total cpu time spent up to now is 133.1 secs Computing kpt #: 269 total cpu time spent up to now is 133.6 secs Computing kpt #: 270 total cpu time spent up to now is 134.0 secs Computing kpt #: 271 total cpu time spent up to now is 134.4 secs Computing kpt #: 272 total cpu time spent up to now is 134.8 secs Computing kpt #: 273 total cpu time spent up to now is 135.2 secs Computing kpt #: 274 total cpu time spent up to now is 135.6 secs Computing kpt #: 275 total cpu time spent up to now is 136.0 secs Computing kpt #: 276 total cpu time spent up to now is 136.4 secs Computing kpt #: 277 total cpu time spent up to now is 136.8 secs Computing kpt #: 278 total cpu time spent up to now is 137.2 secs Computing kpt #: 279 total cpu time spent up to now is 137.6 secs Computing kpt #: 280 total cpu time spent up to now is 138.1 secs Computing kpt #: 281 total cpu time spent up to now is 138.5 secs Computing kpt #: 282 total cpu time spent up to now is 138.9 secs Computing kpt #: 283 total cpu time spent up to now is 139.4 secs Computing kpt #: 284 total cpu time spent up to now is 139.8 secs Computing kpt #: 285 total cpu time spent up to now is 140.3 secs Computing kpt #: 286 total cpu time spent up to now is 140.8 secs Computing kpt #: 287 total cpu time spent up to now is 141.3 secs Computing kpt #: 288 total cpu time spent up to now is 141.8 secs Computing kpt #: 289 total cpu time spent up to now is 142.3 secs Computing kpt #: 290 total cpu time spent up to now is 142.8 secs Computing kpt #: 291 total cpu time spent up to now is 143.3 secs Computing kpt #: 292 total cpu time spent up to now is 143.8 secs Computing kpt #: 293 total cpu time spent up to now is 144.3 secs Computing kpt #: 294 total cpu time spent up to now is 144.8 secs Computing kpt #: 295 total cpu time spent up to now is 145.4 secs Computing kpt #: 296 total cpu time spent up to now is 146.0 secs Computing kpt #: 297 total cpu time spent up to now is 146.6 secs Computing kpt #: 298 total cpu time spent up to now is 147.1 secs Computing kpt #: 299 total cpu time spent up to now is 147.7 secs Computing kpt #: 300 total cpu time spent up to now is 148.2 secs Computing kpt #: 301 total cpu time spent up to now is 148.7 secs Computing kpt #: 302 total cpu time spent up to now is 149.2 secs Computing kpt #: 303 total cpu time spent up to now is 149.7 secs Computing kpt #: 304 total cpu time spent up to now is 150.2 secs Computing kpt #: 305 total cpu time spent up to now is 150.6 secs Computing kpt #: 306 total cpu time spent up to now is 151.1 secs Computing kpt #: 307 total cpu time spent up to now is 151.5 secs Computing kpt #: 308 total cpu time spent up to now is 152.0 secs Computing kpt #: 309 total cpu time spent up to now is 152.4 secs Computing kpt #: 310 total cpu time spent up to now is 152.8 secs Computing kpt #: 311 total cpu time spent up to now is 153.2 secs Computing kpt #: 312 total cpu time spent up to now is 153.7 secs Computing kpt #: 313 total cpu time spent up to now is 154.1 secs Computing kpt #: 314 total cpu time spent up to now is 154.5 secs Computing kpt #: 315 total cpu time spent up to now is 154.9 secs Computing kpt #: 316 total cpu time spent up to now is 155.4 secs Computing kpt #: 317 total cpu time spent up to now is 155.8 secs Computing kpt #: 318 total cpu time spent up to now is 156.2 secs Computing kpt #: 319 total cpu time spent up to now is 156.6 secs Computing kpt #: 320 total cpu time spent up to now is 157.1 secs Computing kpt #: 321 total cpu time spent up to now is 157.5 secs Computing kpt #: 322 total cpu time spent up to now is 157.9 secs ethr = 2.78E-08, avg # of iterations = 22.5 total cpu time spent up to now is 157.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2891 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7655 3.7655 6.9933 6.9933 6.9933 6.9933 7.0421 7.0421 7.0421 7.0421 7.8324 7.8324 9.0306 9.0306 9.0306 9.0306 9.7286 9.7286 10.1705 10.1705 10.1705 10.1705 12.2887 12.2887 13.1416 13.1416 13.1416 13.1416 15.5250 15.5250 15.5250 15.5250 15.6113 15.6113 16.2751 16.2751 k = 0.0102-0.0059 0.0083 ( 2891 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7672 3.7672 6.9912 6.9912 6.9938 6.9938 7.0425 7.0425 7.0447 7.0447 7.8325 7.8325 9.0303 9.0303 9.0306 9.0306 9.7283 9.7283 10.1667 10.1667 10.1704 10.1704 12.2875 12.2875 13.1363 13.1363 13.1397 13.1397 15.5203 15.5203 15.5241 15.5241 15.6208 15.6208 16.2576 16.2576 k = 0.0204-0.0118 0.0167 ( 2890 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7723 3.7723 6.9857 6.9857 6.9955 6.9955 7.0437 7.0437 7.0515 7.0515 7.8330 7.8330 9.0295 9.0295 9.0305 9.0305 9.7274 9.7274 10.1553 10.1553 10.1701 10.1701 12.2842 12.2842 13.1205 13.1205 13.1339 13.1339 15.5058 15.5058 15.5215 15.5215 15.6489 15.6489 16.2141 16.2141 k = 0.0306-0.0177 0.0250 ( 2882 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7808 3.7808 6.9783 6.9783 6.9982 6.9982 7.0456 7.0456 7.0610 7.0610 7.8339 7.8339 9.0281 9.0281 9.0305 9.0305 9.7259 9.7259 10.1364 10.1364 10.1696 10.1696 12.2786 12.2786 13.0952 13.0952 13.1245 13.1245 15.4804 15.4804 15.5174 15.5174 15.6944 15.6944 16.1602 16.1602 k = 0.0408-0.0236 0.0333 ( 2874 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7927 3.7927 6.9701 6.9701 7.0019 7.0019 7.0483 7.0483 7.0723 7.0723 7.8352 7.8352 9.0262 9.0262 9.0304 9.0304 9.7238 9.7238 10.1102 10.1102 10.1688 10.1688 12.2711 12.2711 13.0616 13.0616 13.1114 13.1114 15.4426 15.4426 15.5117 15.5117 15.7556 15.7556 16.1069 16.1069 k = 0.0510-0.0295 0.0417 ( 2858 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7686 -14.7686 -14.7685 -14.7685 3.8081 3.8081 6.9612 6.9612 7.0067 7.0067 7.0518 7.0518 7.0848 7.0848 7.8369 7.8369 9.0238 9.0238 9.0303 9.0303 9.7212 9.7212 10.0770 10.0770 10.1679 10.1679 12.2617 12.2617 13.0212 13.0212 13.0951 13.0951 15.3913 15.3913 15.5045 15.5045 15.8307 15.8307 16.0608 16.0608 k = 0.0612-0.0353 0.0500 ( 2862 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7687 -14.7687 -14.7685 -14.7685 3.8267 3.8267 6.9520 6.9520 7.0123 7.0123 7.0562 7.0562 7.0984 7.0984 7.8391 7.8391 9.0209 9.0209 9.0301 9.0301 9.7179 9.7179 10.0372 10.0372 10.1667 10.1667 12.2506 12.2506 12.9755 12.9755 13.0755 13.0755 15.3266 15.3266 15.4957 15.4957 15.9174 15.9174 16.0245 16.0245 k = 0.0714-0.0412 0.0583 ( 2846 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7688 -14.7688 -14.7685 -14.7685 3.8487 3.8487 6.9423 6.9423 7.0189 7.0189 7.0614 7.0614 7.1131 7.1131 7.8420 7.8420 9.0175 9.0175 9.0298 9.0298 9.7139 9.7139 9.9912 9.9912 10.1654 10.1654 12.2381 12.2381 12.9259 12.9259 13.0532 13.0532 15.2499 15.2499 15.4855 15.4855 15.9985 15.9985 16.0138 16.0138 k = 0.0816-0.0471 0.0667 ( 2858 PWs) bands (ev): -36.2803 -36.2803 -15.2741 -15.2741 -14.7689 -14.7689 -14.7685 -14.7685 3.8740 3.8740 6.9322 6.9322 7.0261 7.0261 7.0674 7.0674 7.1287 7.1287 7.8454 7.8454 9.0137 9.0137 9.0293 9.0293 9.7092 9.7092 9.9397 9.9397 10.1640 10.1640 12.2243 12.2243 12.8735 12.8735 13.0283 13.0283 15.1630 15.1630 15.4738 15.4738 15.9817 15.9817 16.1176 16.1176 k = 0.0918-0.0530 0.0750 ( 2858 PWs) bands (ev): -36.2802 -36.2802 -15.2741 -15.2741 -14.7691 -14.7691 -14.7686 -14.7686 3.9026 3.9026 6.9217 6.9217 7.0340 7.0340 7.0745 7.0745 7.1452 7.1452 7.8496 7.8496 9.0095 9.0095 9.0285 9.0285 9.7034 9.7034 9.8835 9.8835 10.1624 10.1624 12.2095 12.2095 12.8195 12.8195 13.0012 13.0012 15.0681 15.0681 15.4607 15.4607 15.9725 15.9725 16.2268 16.2268 k = 0.1020-0.0589 0.0833 ( 2850 PWs) bands (ev): -36.2802 -36.2802 -15.2742 -15.2742 -14.7693 -14.7693 -14.7686 -14.7686 3.9344 3.9344 6.9106 6.9106 7.0425 7.0425 7.0825 7.0825 7.1626 7.1626 7.8547 7.8547 9.0050 9.0050 9.0275 9.0275 9.6959 9.6959 9.8241 9.8241 10.1606 10.1606 12.1939 12.1939 12.7648 12.7648 12.9722 12.9722 14.9672 14.9672 15.4462 15.4462 15.9693 15.9693 16.3397 16.3397 k = 0.1122-0.0648 0.0916 ( 2850 PWs) bands (ev): -36.2802 -36.2802 -15.2742 -15.2742 -14.7694 -14.7694 -14.7686 -14.7686 3.9694 3.9694 6.8988 6.8988 7.0513 7.0513 7.0916 7.0916 7.1809 7.1809 7.8606 7.8606 9.0001 9.0001 9.0260 9.0260 9.6833 9.6833 9.7653 9.7653 10.1588 10.1588 12.1776 12.1776 12.7099 12.7099 12.9416 12.9416 14.8617 14.8617 15.4303 15.4303 15.9708 15.9708 16.4545 16.4545 k = 0.1224-0.0707 0.1000 ( 2858 PWs) bands (ev): -36.2802 -36.2802 -15.2743 -15.2743 -14.7697 -14.7697 -14.7686 -14.7686 4.0075 4.0075 6.8864 6.8864 7.0604 7.0604 7.1017 7.1017 7.2000 7.2000 7.8675 7.8675 8.9950 8.9950 9.0239 9.0239 9.6529 9.6529 9.7207 9.7207 10.1568 10.1568 12.1608 12.1608 12.6554 12.6554 12.9097 12.9097 14.7526 14.7526 15.4132 15.4132 15.9760 15.9760 16.5696 16.5696 k = 0.1327-0.0766 0.1083 ( 2870 PWs) bands (ev): -36.2801 -36.2801 -15.2744 -15.2744 -14.7699 -14.7699 -14.7687 -14.7687 4.0487 4.0487 6.8732 6.8732 7.0697 7.0697 7.1129 7.1129 7.2199 7.2199 7.8755 7.8755 8.9897 8.9897 9.0210 9.0210 9.5953 9.5953 9.7006 9.7006 10.1548 10.1548 12.1436 12.1436 12.6016 12.6016 12.8768 12.8768 14.6406 14.6406 15.3949 15.3949 15.9842 15.9842 16.6834 16.6834 k = 0.1429-0.0825 0.1166 ( 2878 PWs) bands (ev): -36.2801 -36.2801 -15.2745 -15.2745 -14.7701 -14.7701 -14.7688 -14.7688 4.0930 4.0930 6.8593 6.8593 7.0792 7.0792 7.1250 7.1250 7.2406 7.2406 7.8845 7.8845 8.9842 8.9842 9.0171 9.0171 9.5262 9.5262 9.6901 9.6901 10.1528 10.1528 12.1261 12.1261 12.5491 12.5491 12.8431 12.8431 14.5263 14.5263 15.3754 15.3754 15.9949 15.9949 16.7947 16.7947 k = 0.1531-0.0884 0.1250 ( 2878 PWs) bands (ev): -36.2801 -36.2801 -15.2745 -15.2745 -14.7704 -14.7704 -14.7688 -14.7688 4.1401 4.1401 6.8446 6.8446 7.0887 7.0887 7.1380 7.1380 7.2619 7.2619 7.8946 7.8946 8.9786 8.9786 9.0117 9.0117 9.4540 9.4540 9.6820 9.6820 10.1507 10.1507 12.1083 12.1083 12.4980 12.4980 12.8089 12.8089 14.4099 14.4099 15.3548 15.3548 16.0074 16.0074 16.9021 16.9021 k = 0.1633-0.0943 0.1333 ( 2874 PWs) bands (ev): -36.2801 -36.2801 -15.2746 -15.2746 -14.7706 -14.7706 -14.7689 -14.7689 4.1901 4.1901 6.8291 6.8291 7.0984 7.0984 7.1516 7.1516 7.2839 7.2839 7.9060 7.9060 8.9730 8.9730 9.0041 9.0041 9.3817 9.3817 9.6748 9.6748 10.1486 10.1486 12.0903 12.0903 12.4485 12.4485 12.7745 12.7745 14.2919 14.2919 15.3332 15.3332 16.0215 16.0215 17.0042 17.0042 k = 0.1735-0.1002 0.1416 ( 2882 PWs) bands (ev): -36.2800 -36.2800 -15.2747 -15.2747 -14.7708 -14.7708 -14.7689 -14.7689 4.2429 4.2429 6.8129 6.8129 7.1082 7.1082 7.1658 7.1658 7.3065 7.3065 7.9184 7.9184 8.9674 8.9674 8.9930 8.9930 9.3113 9.3113 9.6680 9.6680 10.1465 10.1465 12.0720 12.0720 12.4007 12.4007 12.7399 12.7399 14.1721 14.1721 15.3107 15.3107 16.0369 16.0369 17.0995 17.0995 k = 0.1837-0.1060 0.1500 ( 2890 PWs) bands (ev): -36.2800 -36.2800 -15.2748 -15.2748 -14.7711 -14.7711 -14.7690 -14.7690 4.2984 4.2984 6.7959 6.7959 7.1182 7.1182 7.1804 7.1804 7.3296 7.3296 7.9320 7.9320 8.9619 8.9619 8.9765 8.9765 9.2459 9.2459 9.6614 9.6614 10.1444 10.1444 12.0533 12.0533 12.3550 12.3550 12.7054 12.7054 14.0509 14.0509 15.2873 15.2873 16.0533 16.0533 17.1830 17.1830 k = 0.1939-0.1119 0.1583 ( 2886 PWs) bands (ev): -36.2800 -36.2800 -15.2748 -15.2748 -14.7714 -14.7714 -14.7691 -14.7691 4.3564 4.3564 6.7782 6.7782 7.1282 7.1282 7.1951 7.1951 7.3531 7.3531 7.9468 7.9468 8.9516 8.9516 8.9566 8.9566 9.1889 9.1889 9.6551 9.6551 10.1424 10.1424 12.0342 12.0342 12.3114 12.3114 12.6712 12.6712 13.9283 13.9283 15.2632 15.2632 16.0704 16.0704 17.2218 17.2218 k = 0.2041-0.1178 0.1666 ( 2886 PWs) bands (ev): -36.2799 -36.2799 -15.2749 -15.2749 -14.7716 -14.7716 -14.7691 -14.7691 4.4169 4.4169 6.7599 6.7599 7.1383 7.1383 7.2097 7.2097 7.3770 7.3770 7.9626 7.9626 8.9155 8.9155 8.9514 8.9514 9.1436 9.1436 9.6490 9.6490 10.1405 10.1405 12.0145 12.0145 12.2702 12.2702 12.6373 12.6373 13.8043 13.8043 15.2384 15.2384 16.0879 16.0879 17.1714 17.1714 k = 0.2143-0.1237 0.1750 ( 2886 PWs) bands (ev): -36.2799 -36.2799 -15.2750 -15.2750 -14.7719 -14.7719 -14.7692 -14.7692 4.4797 4.4797 6.7411 6.7411 7.1485 7.1485 7.2239 7.2239 7.4012 7.4012 7.9795 7.9795 8.8680 8.8680 8.9465 8.9465 9.1110 9.1110 9.6432 9.6432 10.1387 10.1387 11.9941 11.9941 12.2315 12.2315 12.6039 12.6039 13.6791 13.6791 15.2130 15.2130 16.1056 16.1056 17.0945 17.0945 k = 0.2245-0.1296 0.1833 ( 2886 PWs) bands (ev): -36.2799 -36.2799 -15.2751 -15.2751 -14.7721 -14.7721 -14.7692 -14.7692 4.5448 4.5448 6.7218 6.7218 7.1587 7.1587 7.2376 7.2376 7.4257 7.4257 7.9973 7.9973 8.8123 8.8123 8.9419 8.9419 9.0882 9.0882 9.6376 9.6376 10.1370 10.1370 11.9729 11.9729 12.1955 12.1955 12.5711 12.5711 13.5527 13.5527 15.1872 15.1872 16.1232 16.1232 17.0103 17.0103 k = 0.2347-0.1355 0.1916 ( 2890 PWs) bands (ev): -36.2798 -36.2798 -15.2752 -15.2752 -14.7724 -14.7724 -14.7693 -14.7693 4.6118 4.6118 6.7021 6.7021 7.1690 7.1690 7.2505 7.2505 7.4503 7.4503 8.0160 8.0160 8.7526 8.7526 8.9376 8.9376 9.0717 9.0717 9.6324 9.6324 10.1354 10.1354 11.9507 11.9507 12.1624 12.1624 12.5390 12.5390 13.4252 13.4252 15.1609 15.1609 16.1405 16.1405 16.9231 16.9231 k = 0.2449-0.1414 0.2000 ( 2890 PWs) bands (ev): -36.2798 -36.2798 -15.2752 -15.2752 -14.7727 -14.7727 -14.7694 -14.7694 4.6807 4.6807 6.6821 6.6821 7.1791 7.1791 7.2621 7.2621 7.4750 7.4750 8.0355 8.0355 8.6920 8.6920 8.9337 8.9337 9.0587 9.0587 9.6276 9.6276 10.1341 10.1341 11.9275 11.9275 12.1321 12.1321 12.5076 12.5076 13.2968 13.2968 15.1344 15.1344 16.1571 16.1571 16.8348 16.8348 k = 0.2551-0.1473 0.2083 ( 2890 PWs) bands (ev): -36.2798 -36.2798 -15.2753 -15.2753 -14.7730 -14.7730 -14.7694 -14.7694 4.7513 4.7513 6.6619 6.6619 7.1892 7.1892 7.2723 7.2723 7.4998 7.4998 8.0557 8.0557 8.6329 8.6329 8.9303 8.9303 9.0476 9.0476 9.6232 9.6232 10.1329 10.1329 11.9034 11.9034 12.1047 12.1047 12.4771 12.4771 13.1677 13.1677 15.1077 15.1077 16.1727 16.1727 16.7465 16.7465 k = 0.2653-0.1532 0.2166 ( 2882 PWs) bands (ev): -36.2797 -36.2797 -15.2754 -15.2754 -14.7732 -14.7732 -14.7695 -14.7695 4.8234 4.8234 6.6418 6.6418 7.1991 7.1991 7.2807 7.2807 7.5247 7.5247 8.0764 8.0764 8.5764 8.5764 8.9272 8.9272 9.0376 9.0376 9.6192 9.6192 10.1319 10.1319 11.8785 11.8785 12.0801 12.0801 12.4474 12.4474 13.0380 13.0380 15.0809 15.0809 16.1869 16.1869 16.6589 16.6589 k = 0.2755-0.1591 0.2250 ( 2878 PWs) bands (ev): -36.2797 -36.2797 -15.2754 -15.2754 -14.7735 -14.7735 -14.7695 -14.7695 4.8967 4.8967 6.6216 6.6216 7.2087 7.2087 7.2869 7.2869 7.5496 7.5496 8.0975 8.0975 8.5239 8.5239 8.9246 8.9246 9.0279 9.0279 9.6156 9.6156 10.1312 10.1312 11.8530 11.8530 12.0580 12.0580 12.4186 12.4186 12.9080 12.9080 15.0542 15.0542 16.1993 16.1993 16.5728 16.5728 k = 0.2857-0.1650 0.2333 ( 2878 PWs) bands (ev): -36.2797 -36.2797 -15.2755 -15.2755 -14.7737 -14.7737 -14.7696 -14.7696 4.9710 4.9710 6.6016 6.6016 7.2179 7.2179 7.2909 7.2909 7.5744 7.5744 8.1189 8.1189 8.4758 8.4758 8.9224 8.9224 9.0184 9.0184 9.6125 9.6125 10.1307 10.1307 11.8271 11.8271 12.0381 12.0381 12.3907 12.3907 12.7780 12.7780 15.0277 15.0277 16.2094 16.2094 16.4885 16.4885 k = 0.2959-0.1708 0.2416 ( 2878 PWs) bands (ev): -36.2796 -36.2796 -15.2756 -15.2756 -14.7740 -14.7740 -14.7697 -14.7697 5.0461 5.0461 6.5818 6.5818 7.2265 7.2265 7.2925 7.2925 7.5993 7.5993 8.1404 8.1404 8.4330 8.4330 8.9206 8.9206 9.0089 9.0089 9.6098 9.6098 10.1305 10.1305 11.8013 11.8013 12.0202 12.0202 12.3635 12.3635 12.6485 12.6485 15.0014 15.0014 16.2168 16.2168 16.4064 16.4064 k = 0.3061-0.1767 0.2499 ( 2878 PWs) bands (ev): -36.2796 -36.2796 -15.2757 -15.2757 -14.7742 -14.7742 -14.7697 -14.7697 5.1215 5.1215 6.5625 6.5625 7.2340 7.2340 7.2918 7.2918 7.6242 7.6242 8.1618 8.1618 8.3957 8.3957 8.9191 8.9191 8.9991 8.9991 9.6076 9.6076 10.1306 10.1306 11.7757 11.7757 12.0039 12.0039 12.3368 12.3368 12.5200 12.5200 14.9755 14.9755 16.2204 16.2204 16.3269 16.3269 k = 0.3163-0.1826 0.2583 ( 2878 PWs) bands (ev): -36.2796 -36.2796 -15.2757 -15.2757 -14.7745 -14.7745 -14.7698 -14.7698 5.1970 5.1970 6.5436 6.5436 7.2396 7.2396 7.2897 7.2897 7.6492 7.6492 8.1829 8.1829 8.3642 8.3642 8.9180 8.9180 8.9891 8.9891 9.6058 9.6058 10.1310 10.1310 11.7506 11.7506 11.9892 11.9892 12.3081 12.3081 12.3955 12.3955 14.9501 14.9501 16.2148 16.2148 16.2502 16.2502 k = 0.3265-0.1885 0.2666 ( 2894 PWs) bands (ev): -36.2796 -36.2796 -15.2759 -15.2759 -14.7748 -14.7748 -14.7699 -14.7699 5.2723 5.2723 6.5253 6.5253 7.2417 7.2417 7.2877 7.2877 7.6743 7.6743 8.2036 8.2036 8.3385 8.3385 8.9172 8.9172 8.9789 8.9789 9.6044 9.6044 10.1317 10.1317 11.7261 11.7261 11.9757 11.9757 12.2469 12.2469 12.3058 12.3058 14.9252 14.9252 16.1613 16.1613 16.1766 16.1766 k = 0.3367-0.1944 0.2749 ( 2902 PWs) bands (ev): -36.2795 -36.2795 -15.2759 -15.2759 -14.7750 -14.7750 -14.7699 -14.7699 5.3468 5.3468 6.5078 6.5078 7.2382 7.2382 7.2879 7.2879 7.6996 7.6996 8.2236 8.2236 8.3184 8.3184 8.9166 8.9166 8.9683 8.9683 9.6034 9.6034 10.1328 10.1328 11.7026 11.7026 11.9633 11.9633 12.1302 12.1302 12.2746 12.2746 14.9011 14.9011 16.0845 16.0845 16.1061 16.1061 k = 0.3469-0.2003 0.2833 ( 2890 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7752 -14.7752 -14.7700 -14.7700 5.4203 5.4203 6.4911 6.4911 7.2290 7.2290 7.2911 7.2911 7.7252 7.7252 8.2427 8.2427 8.3037 8.3037 8.9161 8.9161 8.9576 8.9576 9.6028 9.6028 10.1343 10.1343 11.6800 11.6800 11.9520 11.9520 12.0085 12.0085 12.2518 12.2518 14.8778 14.8778 16.0091 16.0091 16.0392 16.0392 k = 0.3571-0.2062 0.2916 ( 2898 PWs) bands (ev): -36.2795 -36.2795 -15.2761 -15.2761 -14.7754 -14.7754 -14.7700 -14.7700 5.4921 5.4921 6.4754 6.4754 7.2154 7.2154 7.2962 7.2962 7.7511 7.7511 8.2607 8.2607 8.2939 8.2939 8.9156 8.9156 8.9467 8.9467 9.6024 9.6024 10.1362 10.1362 11.6586 11.6586 11.8883 11.8883 11.9416 11.9416 12.2312 12.2312 14.8555 14.8555 15.9371 15.9371 15.9758 15.9758 k = 0.3673-0.2121 0.2999 ( 2902 PWs) bands (ev): -36.2794 -36.2794 -15.2761 -15.2761 -14.7756 -14.7756 -14.7701 -14.7701 5.5619 5.5619 6.4607 6.4607 7.1989 7.1989 7.3020 7.3020 7.7775 7.7775 8.2773 8.2773 8.2885 8.2885 8.9151 8.9151 8.9357 8.9357 9.6023 9.6023 10.1385 10.1385 11.6383 11.6383 11.7711 11.7711 11.9320 11.9320 12.2122 12.2122 14.8341 14.8341 15.8690 15.8690 15.9161 15.9161 k = 0.3776-0.2180 0.3083 ( 2894 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7758 -14.7758 -14.7701 -14.7701 5.6291 5.6291 6.4473 6.4473 7.1808 7.1808 7.3081 7.3081 7.8045 7.8045 8.2868 8.2868 8.2923 8.2923 8.9146 8.9146 8.9246 8.9246 9.6024 9.6024 10.1413 10.1413 11.6193 11.6193 11.6577 11.6577 11.9233 11.9233 12.1946 12.1946 14.8140 14.8140 15.8051 15.8051 15.8603 15.8603 k = 0.3878-0.2239 0.3166 ( 2894 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7760 -14.7760 -14.7702 -14.7702 5.6930 5.6930 6.4351 6.4351 7.1618 7.1618 7.3140 7.3140 7.8321 7.8321 8.2881 8.2881 8.3053 8.3053 8.9136 8.9136 8.9139 8.9139 9.6027 9.6027 10.1445 10.1445 11.5486 11.5486 11.6016 11.6016 11.9153 11.9153 12.1783 12.1783 14.7950 14.7950 15.7457 15.7457 15.8085 15.8085 k = 0.3980-0.2298 0.3249 ( 2886 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7761 -14.7761 -14.7702 -14.7702 5.7531 5.7531 6.4243 6.4243 7.1426 7.1426 7.3197 7.3197 7.8602 7.8602 8.2920 8.2920 8.3163 8.3163 8.9027 8.9027 8.9130 8.9130 9.6031 9.6031 10.1482 10.1482 11.4448 11.4448 11.5854 11.5854 11.9081 11.9081 12.1634 12.1634 14.7774 14.7774 15.6909 15.6909 15.7609 15.7609 k = 0.4082-0.2357 0.3333 ( 2902 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7763 -14.7763 -14.7703 -14.7703 5.8089 5.8089 6.4151 6.4151 7.1238 7.1238 7.3250 7.3250 7.8890 7.8890 8.2975 8.2975 8.3248 8.3248 8.8920 8.8920 8.9119 8.9119 9.6037 9.6037 10.1523 10.1523 11.3469 11.3469 11.5705 11.5705 11.9015 11.9015 12.1497 12.1497 14.7612 14.7612 15.6407 15.6407 15.7174 15.7174 k = 0.4184-0.2415 0.3416 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7764 -14.7764 -14.7703 -14.7703 5.8598 5.8598 6.4074 6.4074 7.1058 7.1058 7.3299 7.3299 7.9181 7.9181 8.3044 8.3044 8.3308 8.3308 8.8819 8.8819 8.9105 8.9105 9.6043 9.6043 10.1569 10.1569 11.2557 11.2557 11.5571 11.5571 11.8957 11.8957 12.1375 12.1375 14.7464 14.7464 15.5955 15.5955 15.6783 15.6783 k = 0.4286-0.2474 0.3499 ( 2894 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7765 -14.7765 -14.7703 -14.7703 5.9052 5.9052 6.4014 6.4014 7.0891 7.0891 7.3343 7.3343 7.9474 7.9474 8.3120 8.3120 8.3341 8.3341 8.8722 8.8722 8.9091 8.9091 9.6049 9.6049 10.1618 10.1618 11.1720 11.1720 11.5451 11.5451 11.8906 11.8906 12.1266 12.1266 14.7332 14.7332 15.5553 15.5553 15.6436 15.6436 k = 0.4388-0.2533 0.3583 ( 2906 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7767 -14.7767 -14.7704 -14.7704 5.9448 5.9448 6.3969 6.3969 7.0740 7.0740 7.3381 7.3381 7.9764 7.9764 8.3197 8.3197 8.3345 8.3345 8.8633 8.8633 8.9074 8.9074 9.6055 9.6055 10.1670 10.1670 11.0967 11.0967 11.5347 11.5347 11.8861 11.8861 12.1171 12.1171 14.7216 14.7216 15.5202 15.5202 15.6134 15.6134 k = 0.4490-0.2592 0.3666 ( 2906 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7768 -14.7768 -14.7704 -14.7704 5.9782 5.9782 6.3939 6.3939 7.0608 7.0608 7.3414 7.3414 8.0045 8.0045 8.3272 8.3272 8.3325 8.3325 8.8553 8.8553 8.9058 8.9058 9.6061 9.6061 10.1722 10.1722 11.0307 11.0307 11.5259 11.5259 11.8824 11.8824 12.1091 12.1091 14.7117 14.7117 15.4904 15.4904 15.5877 15.5877 k = 0.4592-0.2651 0.3749 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7768 -14.7768 -14.7704 -14.7704 6.0053 6.0053 6.3923 6.3923 7.0498 7.0498 7.3442 7.3442 8.0309 8.0309 8.3282 8.3282 8.3339 8.3339 8.8485 8.8485 8.9042 8.9042 9.6066 9.6066 10.1773 10.1773 10.9750 10.9750 11.5186 11.5186 11.8793 11.8793 12.1025 12.1025 14.7036 14.7036 15.4658 15.4658 15.5666 15.5666 k = 0.4694-0.2710 0.3833 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7769 -14.7769 -14.7704 -14.7704 6.0262 6.0262 6.3915 6.3915 7.0410 7.0410 7.3463 7.3463 8.0544 8.0544 8.3225 8.3225 8.3396 8.3396 8.8429 8.8429 8.9029 8.9029 9.6070 9.6070 10.1818 10.1818 10.9303 10.9303 11.5129 11.5129 11.8770 11.8770 12.0973 12.0973 14.6972 14.6972 15.4467 15.4467 15.5501 15.5501 k = 0.4796-0.2769 0.3916 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7769 -14.7769 -14.7704 -14.7704 6.0408 6.0408 6.3914 6.3914 7.0346 7.0346 7.3478 7.3478 8.0733 8.0733 8.3166 8.3166 8.3439 8.3439 8.8388 8.8388 8.9019 8.9019 9.6073 9.6073 10.1854 10.1854 10.8977 10.8977 11.5088 11.5088 11.8753 11.8753 12.0936 12.0936 14.6926 14.6926 15.4329 15.4329 15.5383 15.5383 k = 0.4898-0.2828 0.3999 ( 2894 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7769 -14.7769 -14.7704 -14.7704 6.0495 6.0495 6.3915 6.3915 7.0308 7.0308 7.3487 7.3487 8.0858 8.0858 8.3121 8.3121 8.3466 8.3466 8.8362 8.8362 8.9012 8.9012 9.6074 9.6074 10.1878 10.1878 10.8778 10.8778 11.5064 11.5064 11.8743 11.8743 12.0914 12.0914 14.6898 14.6898 15.4247 15.4247 15.5313 15.5313 k = 0.5000-0.2887 0.4082 ( 2914 PWs) bands (ev): -36.2793 -36.2793 -15.2766 -15.2766 -14.7770 -14.7770 -14.7705 -14.7705 6.0524 6.0524 6.3915 6.3915 7.0295 7.0295 7.3490 7.3490 8.0901 8.0901 8.3103 8.3103 8.3475 8.3475 8.8354 8.8354 8.9009 8.9009 9.6075 9.6075 10.1886 10.1886 10.8711 10.8711 11.5056 11.5056 11.8739 11.8739 12.0906 12.0906 14.6888 14.6888 15.4219 15.4219 15.5289 15.5289 k = 0.5000-0.2887 0.4082 ( 2914 PWs) bands (ev): -36.2793 -36.2793 -15.2766 -15.2766 -14.7770 -14.7770 -14.7705 -14.7705 6.0524 6.0524 6.3915 6.3915 7.0295 7.0295 7.3490 7.3490 8.0901 8.0901 8.3103 8.3103 8.3475 8.3475 8.8354 8.8354 8.9009 8.9009 9.6075 9.6075 10.1886 10.1886 10.8711 10.8711 11.5056 11.5056 11.8739 11.8739 12.0906 12.0906 14.6888 14.6888 15.4219 15.4219 15.5289 15.5289 k = 0.5000-0.2771 0.4164 ( 2896 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7769 -14.7769 -14.7704 -14.7704 6.0529 6.0529 6.3928 6.3928 7.0293 7.0293 7.3493 7.3493 8.0854 8.0854 8.3132 8.3132 8.3479 8.3479 8.8289 8.8289 8.9104 8.9104 9.6067 9.6067 10.1844 10.1844 10.8709 10.8709 11.4925 11.4925 11.8622 11.8622 12.1166 12.1166 14.6910 14.6910 15.4217 15.4217 15.5286 15.5286 k = 0.5000-0.2656 0.4246 ( 2900 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7769 -14.7769 -14.7705 -14.7705 6.0542 6.0542 6.3965 6.3965 7.0288 7.0288 7.3501 7.3501 8.0719 8.0719 8.3199 8.3199 8.3503 8.3503 8.8156 8.8156 8.9324 8.9324 9.6044 9.6044 10.1718 10.1718 10.8704 10.8704 11.4572 11.4572 11.8364 11.8364 12.1816 12.1816 14.6974 14.6974 15.4210 15.4210 15.5278 15.5278 k = 0.5000-0.2540 0.4327 ( 2904 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7769 -14.7769 -14.7705 -14.7705 6.0563 6.0563 6.4027 6.4027 7.0281 7.0281 7.3515 7.3515 8.0520 8.0520 8.3248 8.3248 8.3579 8.3579 8.8016 8.8016 8.9608 8.9608 9.6007 9.6007 10.1509 10.1509 10.8696 10.8696 11.4080 11.4080 11.8055 11.8055 12.2684 12.2684 14.7079 14.7079 15.4194 15.4194 15.5269 15.5269 k = 0.5000-0.2425 0.4409 ( 2908 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7769 -14.7769 -14.7705 -14.7705 6.0594 6.0594 6.4113 6.4113 7.0270 7.0270 7.3533 7.3533 8.0279 8.0279 8.3249 8.3249 8.3721 8.3721 8.7890 8.7890 8.9932 8.9932 9.5955 9.5955 10.1216 10.1216 10.8685 10.8685 11.3532 11.3532 11.7711 11.7711 12.3676 12.3676 14.7222 14.7222 15.4162 15.4162 15.5264 15.5264 k = 0.5000-0.2309 0.4491 ( 2912 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7768 -14.7768 -14.7706 -14.7706 6.0632 6.0632 6.4223 6.4223 7.0257 7.0257 7.3557 7.3557 8.0011 8.0011 8.3215 8.3215 8.3898 8.3898 8.7784 8.7784 9.0289 9.0289 9.5891 9.5891 10.0841 10.0841 10.8669 10.8669 11.2982 11.2982 11.7326 11.7326 12.4746 12.4746 14.7400 14.7400 15.4107 15.4107 15.5269 15.5269 k = 0.5000-0.2194 0.4572 ( 2906 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7768 -14.7768 -14.7706 -14.7706 6.0679 6.0679 6.4355 6.4355 7.0242 7.0242 7.3584 7.3584 7.9730 7.9730 8.3161 8.3161 8.4088 8.4088 8.7699 8.7699 9.0673 9.0673 9.5816 9.5816 10.0389 10.0389 10.8648 10.8648 11.2465 11.2465 11.6896 11.6896 12.5866 12.5866 14.7610 14.7610 15.4023 15.4023 15.5291 15.5291 k = 0.5000-0.2078 0.4654 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7767 -14.7767 -14.7707 -14.7707 6.0733 6.0733 6.4507 6.4507 7.0224 7.0224 7.3615 7.3615 7.9443 7.9443 8.3093 8.3093 8.4280 8.4280 8.7634 8.7634 9.1079 9.1079 9.5734 9.5734 9.9865 9.9865 10.8623 10.8623 11.1999 11.1999 11.6420 11.6420 12.7019 12.7019 14.7847 14.7847 15.3904 15.3904 15.5333 15.5333 k = 0.5000-0.1963 0.4736 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7766 -14.7766 -14.7707 -14.7707 6.0793 6.0793 6.4680 6.4680 7.0204 7.0204 7.3649 7.3649 7.9159 7.9159 8.3011 8.3011 8.4469 8.4469 8.7589 8.7589 9.1502 9.1502 9.5647 9.5647 9.9280 9.9280 10.8591 10.8591 11.1591 11.1591 11.5902 11.5902 12.8191 12.8191 14.8106 14.8106 15.3749 15.3749 15.5394 15.5394 k = 0.5000-0.1848 0.4817 ( 2896 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7766 -14.7766 -14.7708 -14.7708 6.0860 6.0860 6.4870 6.4870 7.0182 7.0182 7.3684 7.3684 7.8883 7.8883 8.2917 8.2917 8.4650 8.4650 8.7561 8.7561 9.1936 9.1936 9.5563 9.5563 9.8645 9.8645 10.8552 10.8552 11.1243 11.1243 11.5345 11.5345 12.9375 12.9375 14.8385 14.8385 15.3557 15.3557 15.5473 15.5473 k = 0.5000-0.1732 0.4899 ( 2896 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7765 -14.7765 -14.7709 -14.7709 6.0933 6.0933 6.5076 6.5076 7.0157 7.0157 7.3719 7.3719 7.8621 7.8621 8.2811 8.2811 8.4823 8.4823 8.7549 8.7549 9.2368 9.2368 9.5491 9.5491 9.7975 9.7975 10.8506 10.8506 11.0952 11.0952 11.4756 11.4756 13.0561 13.0561 14.8678 14.8678 15.3331 15.3331 15.5566 15.5566 k = 0.5000-0.1617 0.4981 ( 2892 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7764 -14.7764 -14.7710 -14.7710 6.1009 6.1009 6.5295 6.5295 7.0132 7.0132 7.3753 7.3753 7.8380 7.8380 8.2693 8.2693 8.4986 8.4986 8.7550 8.7550 9.2782 9.2782 9.5446 9.5446 9.7285 9.7285 10.8450 10.8450 11.0711 11.0711 11.4141 11.4141 13.1745 13.1745 14.8983 14.8983 15.3070 15.3070 15.5671 15.5671 k = 0.5000-0.1501 0.5062 ( 2894 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7763 -14.7763 -14.7711 -14.7711 6.1089 6.1089 6.5525 6.5525 7.0104 7.0104 7.3782 7.3782 7.8164 7.8164 8.2563 8.2563 8.5140 8.5140 8.7560 8.7560 9.3147 9.3147 9.5449 9.5449 9.6599 9.6599 10.8383 10.8383 11.0514 11.0514 11.3508 11.3508 13.2919 13.2919 14.9296 14.9296 15.2777 15.2777 15.5783 15.5783 k = 0.5000-0.1386 0.5144 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7762 -14.7762 -14.7712 -14.7712 6.1172 6.1172 6.5764 6.5764 7.0075 7.0075 7.3805 7.3805 7.7981 7.7981 8.2420 8.2420 8.5284 8.5284 8.7578 8.7578 9.3424 9.3424 9.5472 9.5472 9.6000 9.6000 10.8302 10.8302 11.0354 11.0354 11.2866 11.2866 13.4081 13.4081 14.9614 14.9614 15.2450 15.2450 15.5899 15.5899 k = 0.5000-0.1270 0.5226 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7761 -14.7761 -14.7713 -14.7713 6.1255 6.1255 6.6006 6.6006 7.0045 7.0045 7.3819 7.3819 7.7836 7.7836 8.2261 8.2261 8.5418 8.5418 8.7599 8.7599 9.3582 9.3582 9.5090 9.5090 9.5956 9.5956 10.8202 10.8202 11.0224 11.0224 11.2226 11.2226 13.5226 13.5226 14.9933 14.9933 15.2091 15.2091 15.6018 15.6018 k = 0.5000-0.1155 0.5307 ( 2896 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7760 -14.7760 -14.7714 -14.7714 6.1339 6.1339 6.6250 6.6250 7.0014 7.0014 7.3822 7.3822 7.7735 7.7735 8.2087 8.2087 8.5543 8.5543 8.7621 8.7621 9.3625 9.3625 9.4480 9.4480 9.6299 9.6299 10.8074 10.8074 11.0116 11.0116 11.1605 11.1605 13.6349 13.6349 15.0250 15.0250 15.1700 15.1700 15.6135 15.6135 k = 0.5000-0.1039 0.5389 ( 2896 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7759 -14.7759 -14.7715 -14.7715 6.1420 6.1420 6.6491 6.6491 6.9981 6.9981 7.3811 7.3811 7.7683 7.7683 8.1896 8.1896 8.5658 8.5658 8.7638 8.7638 9.3583 9.3583 9.3892 9.3892 9.6765 9.6765 10.7903 10.7903 11.0021 11.0021 11.1027 11.1027 13.7448 13.7448 15.0562 15.0562 15.1276 15.1276 15.6249 15.6249 k = 0.5000-0.0924 0.5471 ( 2892 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7758 -14.7758 -14.7716 -14.7716 6.1499 6.1499 6.6726 6.6726 6.9947 6.9947 7.3787 7.3787 7.7683 7.7683 8.1685 8.1685 8.5764 8.5764 8.7648 8.7648 9.3314 9.3314 9.3531 9.3531 9.7299 9.7299 10.7669 10.7669 10.9920 10.9920 11.0531 11.0531 13.8519 13.8519 15.0801 15.0801 15.0885 15.0885 15.6358 15.6358 k = 0.5000-0.0808 0.5552 ( 2896 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7757 -14.7757 -14.7717 -14.7717 6.1573 6.1573 6.6949 6.6949 6.9913 6.9913 7.3752 7.3752 7.7736 7.7736 8.1454 8.1454 8.5861 8.5861 8.7646 8.7646 9.2840 9.2840 9.3415 9.3415 9.7874 9.7874 10.7349 10.7349 10.9765 10.9765 11.0189 11.0189 13.9560 13.9560 15.0324 15.0324 15.1162 15.1162 15.6459 15.6459 k = 0.5000-0.0693 0.5634 ( 2900 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7756 -14.7756 -14.7718 -14.7718 6.1641 6.1641 6.7156 6.7156 6.9879 6.9879 7.3708 7.3708 7.7840 7.7840 8.1203 8.1203 8.5949 8.5949 8.7630 8.7630 9.2427 9.2427 9.3298 9.3298 9.8476 9.8476 10.6933 10.6933 10.9540 10.9540 11.0033 11.0033 14.0569 14.0569 14.9798 14.9798 15.1435 15.1435 15.6550 15.6550 k = 0.5000-0.0577 0.5715 ( 2892 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7755 -14.7755 -14.7719 -14.7719 6.1701 6.1701 6.7344 6.7344 6.9845 6.9845 7.3660 7.3660 7.7993 7.7993 8.0933 8.0933 8.6028 8.6028 8.7601 8.7601 9.2087 9.2087 9.3185 9.3185 9.9091 9.9091 10.6431 10.6431 10.9336 10.9336 10.9965 10.9965 14.1544 14.1544 14.9236 14.9236 15.1687 15.1687 15.6630 15.6630 k = 0.5000-0.0462 0.5797 ( 2896 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7755 -14.7755 -14.7720 -14.7720 6.1753 6.1753 6.7507 6.7507 6.9814 6.9814 7.3612 7.3612 7.8187 7.8187 8.0646 8.0646 8.6097 8.6097 8.7561 8.7561 9.1823 9.1823 9.3080 9.3080 9.9708 9.9708 10.5874 10.5874 10.9187 10.9187 10.9927 10.9927 14.2482 14.2482 14.8639 14.8639 15.1908 15.1908 15.6697 15.6697 k = 0.5000-0.0346 0.5879 ( 2900 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7754 -14.7754 -14.7720 -14.7720 6.1794 6.1794 6.7640 6.7640 6.9785 6.9785 7.3569 7.3569 7.8416 7.8416 8.0348 8.0348 8.6154 8.6154 8.7516 8.7516 9.1628 9.1628 9.2991 9.2991 10.0308 10.0308 10.5301 10.5301 10.9086 10.9086 10.9903 10.9903 14.3384 14.3384 14.8005 14.8005 15.2093 15.2093 15.6749 15.6749 k = 0.5000-0.0231 0.5960 ( 2900 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7753 -14.7753 -14.7721 -14.7721 6.1825 6.1825 6.7740 6.7740 6.9763 6.9763 7.3536 7.3536 7.8667 7.8667 8.0048 8.0048 8.6198 8.6198 8.7474 8.7474 9.1498 9.1498 9.2923 9.2923 10.0860 10.0860 10.4760 10.4760 10.9022 10.9022 10.9888 10.9888 14.4246 14.4246 14.7334 14.7334 15.2232 15.2232 15.6786 15.6786 k = 0.5000-0.0115 0.6042 ( 2892 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7753 -14.7753 -14.7721 -14.7721 6.1843 6.1843 6.7801 6.7801 6.9749 6.9749 7.3515 7.3515 7.8913 7.8913 7.9773 7.9773 8.6227 8.6227 8.7445 8.7445 9.1424 9.1424 9.2880 9.2880 10.1291 10.1291 10.4332 10.4332 10.8987 10.8987 10.9880 10.9880 14.5066 14.5066 14.6630 14.6630 15.2319 15.2319 15.6808 15.6808 k = 0.5000 0.0000 0.6124 ( 2872 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7752 -14.7752 -14.7720 -14.7720 6.1850 6.1850 6.7822 6.7822 6.9744 6.9744 7.3508 7.3508 7.9048 7.9048 7.9629 7.9629 8.6236 8.6236 8.7434 8.7434 9.1400 9.1400 9.2866 9.2866 10.1467 10.1467 10.4158 10.4158 10.8976 10.8976 10.9877 10.9877 14.5723 14.5723 14.6013 14.6013 15.2349 15.2349 15.6816 15.6816 k = 0.5000 0.0000 0.6124 ( 2872 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7752 -14.7752 -14.7720 -14.7720 6.1850 6.1850 6.7822 6.7822 6.9744 6.9744 7.3508 7.3508 7.9048 7.9048 7.9629 7.9629 8.6236 8.6236 8.7434 8.7434 9.1400 9.1400 9.2866 9.2866 10.1467 10.1467 10.4158 10.4158 10.8976 10.8976 10.9877 10.9877 14.5723 14.5723 14.6013 14.6013 15.2349 15.2349 15.6816 15.6816 k = 0.4926 0.0127 0.6124 ( 2892 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7753 -14.7753 -14.7721 -14.7721 6.1840 6.1840 6.7817 6.7817 6.9749 6.9749 7.3512 7.3512 7.8962 7.8962 7.9718 7.9718 8.6223 8.6223 8.7438 8.7438 9.1411 9.1411 9.2870 9.2870 10.1352 10.1352 10.4158 10.4158 10.9013 10.9013 10.9990 10.9990 14.5267 14.5267 14.6448 14.6448 15.2346 15.2346 15.6813 15.6813 k = 0.4853 0.0255 0.6124 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7753 -14.7753 -14.7721 -14.7721 6.1812 6.1812 6.7805 6.7805 6.9764 6.9764 7.3527 7.3527 7.8784 7.8784 7.9907 7.9907 8.6184 8.6184 8.7449 8.7449 9.1446 9.1446 9.2881 9.2881 10.1085 10.1085 10.4071 10.4071 10.9075 10.9075 11.0390 11.0390 14.4657 14.4657 14.6996 14.6996 15.2342 15.2342 15.6804 15.6804 k = 0.4779 0.0382 0.6124 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7754 -14.7754 -14.7720 -14.7720 6.1769 6.1769 6.7789 6.7789 6.9786 6.9786 7.3550 7.3550 7.8584 7.8584 8.0126 8.0126 8.6121 8.6121 8.7464 8.7464 9.1508 9.1508 9.2896 9.2896 10.0753 10.0753 10.3849 10.3849 10.9108 10.9108 11.1089 11.1089 14.4002 14.4002 14.7544 14.7544 15.2344 15.2344 15.6786 15.6786 k = 0.4706 0.0509 0.6124 ( 2894 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7754 -14.7754 -14.7720 -14.7720 6.1715 6.1715 6.7771 6.7771 6.9812 6.9812 7.3582 7.3582 7.8386 7.8386 8.0352 8.0352 8.6035 8.6035 8.7479 8.7479 9.1601 9.1601 9.2914 9.2914 10.0399 10.0399 10.3515 10.3515 10.9118 10.9118 11.2013 11.2013 14.3304 14.3304 14.8088 14.8088 15.2357 15.2357 15.6756 15.6756 k = 0.4632 0.0637 0.6124 ( 2895 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7755 -14.7755 -14.7719 -14.7719 6.1650 6.1650 6.7752 6.7752 6.9840 6.9840 7.3621 7.3621 7.8197 7.8197 8.0578 8.0578 8.5927 8.5927 8.7492 8.7492 9.1725 9.1725 9.2931 9.2931 10.0049 10.0049 10.3106 10.3106 10.9117 10.9117 11.3085 11.3085 14.2564 14.2564 14.8625 14.8625 15.2384 15.2384 15.6712 15.6712 k = 0.4559 0.0764 0.6124 ( 2897 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7755 -14.7755 -14.7718 -14.7718 6.1580 6.1580 6.7734 6.7734 6.9869 6.9869 7.3665 7.3665 7.8022 7.8022 8.0802 8.0802 8.5796 8.5796 8.7501 8.7501 9.1882 9.1882 9.2947 9.2947 9.9714 9.9714 10.2652 10.2652 10.9112 10.9112 11.4253 11.4253 14.1782 14.1782 14.9153 14.9153 15.2429 15.2429 15.6652 15.6652 k = 0.4485 0.0891 0.6124 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7756 -14.7756 -14.7718 -14.7718 6.1506 6.1506 6.7717 6.7717 6.9896 6.9896 7.3714 7.3714 7.7864 7.7864 8.1021 8.1021 8.5645 8.5645 8.7506 8.7506 9.2071 9.2071 9.2962 9.2962 9.9401 9.9401 10.2174 10.2174 10.9106 10.9106 11.5483 11.5483 14.0958 14.0958 14.9672 14.9672 15.2490 15.2490 15.6574 15.6574 k = 0.4412 0.1019 0.6124 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7756 -14.7756 -14.7717 -14.7717 6.1431 6.1431 6.7703 6.7703 6.9920 6.9920 7.3765 7.3765 7.7726 7.7726 8.1237 8.1237 8.5473 8.5473 8.7507 8.7507 9.2290 9.2290 9.2976 9.2976 9.9114 9.9114 10.1687 10.1687 10.9100 10.9100 11.6753 11.6753 14.0094 14.0094 15.0178 15.0178 15.2568 15.2568 15.6479 15.6479 k = 0.4338 0.1146 0.6124 ( 2904 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7757 -14.7757 -14.7716 -14.7716 6.1357 6.1357 6.7691 6.7691 6.9941 6.9941 7.3816 7.3816 7.7607 7.7607 8.1449 8.1449 8.5282 8.5282 8.7504 8.7504 9.2530 9.2530 9.2996 9.2996 9.8852 9.8852 10.1200 10.1200 10.9095 10.9095 11.8045 11.8045 13.9192 13.9192 15.0670 15.0670 15.2660 15.2660 15.6365 15.6365 k = 0.4265 0.1274 0.6124 ( 2897 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7757 -14.7757 -14.7715 -14.7715 6.1287 6.1287 6.7683 6.7683 6.9957 6.9957 7.3864 7.3864 7.7510 7.7510 8.1659 8.1659 8.5074 8.5074 8.7498 8.7498 9.2762 9.2762 9.3046 9.3046 9.8615 9.8615 10.0724 10.0724 10.9090 10.9090 11.9344 11.9344 13.8258 13.8258 15.1145 15.1145 15.2763 15.2763 15.6232 15.6232 k = 0.4191 0.1401 0.6124 ( 2889 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7758 -14.7758 -14.7714 -14.7714 6.1223 6.1223 6.7676 6.7676 6.9970 6.9970 7.3908 7.3908 7.7432 7.7432 8.1868 8.1868 8.4853 8.4853 8.7491 8.7491 9.2890 9.2890 9.3218 9.3218 9.8398 9.8398 10.0270 10.0270 10.9087 10.9087 12.0635 12.0635 13.7297 13.7297 15.1599 15.1599 15.2872 15.2872 15.6081 15.6081 k = 0.4118 0.1528 0.6124 ( 2891 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7758 -14.7758 -14.7714 -14.7714 6.1166 6.1166 6.7671 6.7671 6.9979 6.9979 7.3946 7.3946 7.7373 7.7373 8.2077 8.2077 8.4622 8.4622 8.7483 8.7483 9.2921 9.2921 9.3496 9.3496 9.8196 9.8196 9.9851 9.9851 10.9084 10.9084 12.1900 12.1900 13.6321 13.6321 15.2028 15.2028 15.2981 15.2981 15.5913 15.5913 k = 0.4044 0.1656 0.6124 ( 2897 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7714 -14.7714 6.1117 6.1117 6.7668 6.7668 6.9984 6.9984 7.3978 7.3978 7.7330 7.7330 8.2286 8.2286 8.4387 8.4387 8.7475 8.7475 9.2929 9.2929 9.3796 9.3796 9.8001 9.8001 9.9485 9.9485 10.9081 10.9081 12.3114 12.3114 13.5349 13.5349 15.2423 15.2423 15.3084 15.3084 15.5734 15.5734 k = 0.3971 0.1783 0.6124 ( 2897 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7713 -14.7713 6.1078 6.1078 6.7667 6.7667 6.9988 6.9988 7.4002 7.4002 7.7300 7.7300 8.2493 8.2493 8.4153 8.4153 8.7468 8.7468 9.2931 9.2931 9.4087 9.4087 9.7810 9.7810 9.9190 9.9190 10.9079 10.9079 12.4240 12.4240 13.4416 13.4416 15.2776 15.2776 15.3175 15.3175 15.5552 15.5552 k = 0.3897 0.1910 0.6124 ( 2888 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7713 -14.7713 6.1049 6.1049 6.7666 6.7666 6.9990 6.9990 7.4020 7.4020 7.7282 7.7282 8.2691 8.2691 8.3933 8.3933 8.7462 8.7462 9.2930 9.2930 9.4339 9.4339 9.7632 9.7632 9.8979 9.8979 10.9078 10.9078 12.5210 12.5210 13.3586 13.3586 15.3066 15.3066 15.3248 15.3248 15.5383 15.5383 k = 0.3824 0.2038 0.6124 ( 2888 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.1032 6.1032 6.7665 6.7665 6.9991 6.9991 7.4030 7.4030 7.7272 7.7272 8.2856 8.2856 8.3753 8.3753 8.7459 8.7459 9.2930 9.2930 9.4515 9.4515 9.7498 9.7498 9.8855 9.8855 10.9077 10.9077 12.5907 12.5907 13.2974 13.2974 15.3250 15.3250 15.3311 15.3311 15.5255 15.5255 k = 0.3750 0.2165 0.6124 ( 2882 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.1026 6.1026 6.7665 6.7665 6.9991 6.9991 7.4034 7.4034 7.7268 7.7268 8.2929 8.2929 8.3675 8.3675 8.7458 8.7458 9.2929 9.2929 9.4580 9.4580 9.7446 9.7446 9.8815 9.8815 10.9077 10.9077 12.6169 12.6169 13.2740 13.2740 15.3288 15.3288 15.3362 15.3362 15.5206 15.5206 k = 0.3750 0.2165 0.6124 ( 2882 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.1026 6.1026 6.7665 6.7665 6.9991 6.9991 7.4034 7.4034 7.7268 7.7268 8.2929 8.2929 8.3675 8.3675 8.7458 8.7458 9.2929 9.2929 9.4580 9.4580 9.7446 9.7446 9.8815 9.8815 10.9077 10.9077 12.6169 12.6169 13.2740 13.2740 15.3288 15.3288 15.3362 15.3362 15.5206 15.5206 k = 0.3676 0.2123 0.6004 ( 2892 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7713 -14.7713 6.0965 6.0965 6.8087 6.8087 6.9980 6.9980 7.4059 7.4059 7.7186 7.7186 8.2691 8.2691 8.3656 8.3656 8.7432 8.7432 9.2715 9.2715 9.4141 9.4141 9.6869 9.6869 9.9143 9.9143 10.9096 10.9096 12.6864 12.6864 13.3410 13.3410 15.3182 15.3182 15.4031 15.4031 15.5319 15.5319 k = 0.3603 0.2080 0.5884 ( 2892 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7758 -14.7758 -14.7713 -14.7713 6.0873 6.0873 6.8520 6.8520 6.9973 6.9973 7.4078 7.4078 7.7132 7.7132 8.2424 8.2424 8.3628 8.3628 8.7392 8.7392 9.2475 9.2475 9.3753 9.3753 9.6148 9.6148 9.9703 9.9703 10.9119 10.9119 12.7557 12.7557 13.4093 13.4093 15.2996 15.2996 15.4786 15.4786 15.5463 15.5463 k = 0.3529 0.2038 0.5764 ( 2894 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7758 -14.7758 -14.7712 -14.7712 6.0748 6.0748 6.8960 6.8960 6.9972 6.9972 7.4090 7.4090 7.7107 7.7107 8.2127 8.2127 8.3590 8.3590 8.7340 8.7340 9.2211 9.2211 9.3434 9.3434 9.5446 9.5446 10.0322 10.0322 10.9146 10.9146 12.8249 12.8249 13.4792 13.4792 15.2790 15.2790 15.5487 15.5487 15.5714 15.5714 k = 0.3456 0.1995 0.5643 ( 2896 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7757 -14.7757 -14.7712 -14.7712 6.0585 6.0585 6.9390 6.9390 6.9986 6.9986 7.4096 7.4096 7.7112 7.7112 8.1801 8.1801 8.3541 8.3541 8.7280 8.7280 9.1927 9.1927 9.3191 9.3191 9.4793 9.4793 10.0962 10.0962 10.9178 10.9178 12.8938 12.8938 13.5511 13.5511 15.2566 15.2566 15.5759 15.5759 15.6436 15.6436 k = 0.3382 0.1953 0.5523 ( 2896 PWs) bands (ev): -36.2793 -36.2793 -15.2763 -15.2763 -14.7757 -14.7757 -14.7712 -14.7712 6.0382 6.0382 6.9739 6.9739 7.0081 7.0081 7.4096 7.4096 7.7149 7.7149 8.1450 8.1450 8.3481 8.3481 8.7218 8.7218 9.1634 9.1634 9.3020 9.3020 9.4194 9.4194 10.1612 10.1612 10.9216 10.9216 12.9624 12.9624 13.6254 13.6254 15.2322 15.2322 15.5953 15.5953 15.6856 15.6856 k = 0.3309 0.1910 0.5403 ( 2904 PWs) bands (ev): -36.2793 -36.2793 -15.2763 -15.2763 -14.7757 -14.7757 -14.7711 -14.7711 6.0136 6.0136 6.9847 6.9847 7.0407 7.0407 7.4089 7.4089 7.7219 7.7219 8.1080 8.1080 8.3410 8.3410 8.7161 8.7161 9.1342 9.1342 9.2913 9.2913 9.3648 9.3648 10.2263 10.2263 10.9261 10.9261 13.0306 13.0306 13.7022 13.7022 15.2058 15.2058 15.6096 15.6096 15.6718 15.6718 k = 0.3235 0.1868 0.5283 ( 2904 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7757 -14.7757 -14.7710 -14.7710 5.9846 5.9846 6.9853 6.9853 7.0817 7.0817 7.4077 7.4077 7.7324 7.7324 8.0700 8.0700 8.3330 8.3330 8.7115 8.7115 9.1064 9.1064 9.2860 9.2860 9.3153 9.3153 10.2911 10.2911 10.9314 10.9314 13.0984 13.0984 13.7819 13.7819 15.1774 15.1774 15.6068 15.6068 15.6773 15.6773 k = 0.3162 0.1825 0.5163 ( 2896 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7756 -14.7756 -14.7709 -14.7709 5.9511 5.9511 6.9834 6.9834 7.1221 7.1221 7.4059 7.4059 7.7464 7.7464 8.0324 8.0324 8.3243 8.3243 8.7084 8.7084 9.0804 9.0804 9.2705 9.2705 9.2853 9.2853 10.3554 10.3554 10.9377 10.9377 13.1658 13.1658 13.8646 13.8646 15.1470 15.1470 15.5893 15.5893 15.7009 15.7009 k = 0.3088 0.1783 0.5043 ( 2900 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7756 -14.7756 -14.7708 -14.7708 5.9129 5.9129 6.9801 6.9801 7.1596 7.1596 7.4037 7.4037 7.7633 7.7633 7.9974 7.9974 8.3150 8.3150 8.7072 8.7072 9.0566 9.0566 9.2305 9.2305 9.2881 9.2881 10.4186 10.4186 10.9452 10.9452 13.2327 13.2327 13.9505 13.9505 15.1145 15.1145 15.5674 15.5674 15.7323 15.7323 k = 0.3015 0.1741 0.4923 ( 2906 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7756 -14.7756 -14.7707 -14.7707 5.8700 5.8700 6.9758 6.9758 7.1931 7.1931 7.4010 7.4010 7.7807 7.7807 7.9685 7.9685 8.3052 8.3052 8.7079 8.7079 9.0353 9.0353 9.1949 9.1949 9.2939 9.2939 10.4806 10.4806 10.9544 10.9544 13.2993 13.2993 14.0397 14.0397 15.0800 15.0800 15.5445 15.5445 15.7683 15.7683 k = 0.2941 0.1698 0.4803 ( 2906 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7756 -14.7756 -14.7706 -14.7706 5.8225 5.8225 6.9704 6.9704 7.2215 7.2215 7.3981 7.3981 7.7932 7.7932 7.9524 7.9524 8.2950 8.2950 8.7105 8.7105 9.0165 9.0165 9.1638 9.1638 9.3023 9.3023 10.5408 10.5408 10.9656 10.9656 13.3654 13.3654 14.1322 14.1322 15.0434 15.0434 15.5218 15.5218 15.8080 15.8080 k = 0.2868 0.1656 0.4683 ( 2910 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7755 -14.7755 -14.7705 -14.7705 5.7705 5.7705 6.9641 6.9641 7.2441 7.2441 7.3949 7.3949 7.7926 7.7926 7.9580 7.9580 8.2847 8.2847 8.7150 8.7150 9.0004 9.0004 9.1373 9.1373 9.3128 9.3128 10.5986 10.5986 10.9796 10.9796 13.4312 13.4312 14.2281 14.2281 15.0046 15.0046 15.4996 15.4996 15.8512 15.8512 k = 0.2794 0.1613 0.4563 ( 2906 PWs) bands (ev): -36.2794 -36.2794 -15.2761 -15.2761 -14.7755 -14.7755 -14.7704 -14.7704 5.7144 5.7144 6.9572 6.9572 7.2606 7.2606 7.3917 7.3917 7.7779 7.7779 7.9860 7.9860 8.2743 8.2743 8.7211 8.7211 8.9870 8.9870 9.1156 9.1156 9.3248 9.3248 10.6532 10.6532 10.9972 10.9972 13.4966 13.4966 14.3272 14.3272 14.9640 14.9640 15.4780 15.4780 15.8976 15.8976 k = 0.2721 0.1571 0.4443 ( 2906 PWs) bands (ev): -36.2795 -36.2795 -15.2761 -15.2761 -14.7754 -14.7754 -14.7702 -14.7702 5.6543 5.6543 6.9498 6.9498 7.2709 7.2709 7.3884 7.3884 7.7556 7.7556 8.0291 8.0291 8.2643 8.2643 8.7287 8.7287 8.9760 8.9760 9.0989 9.0989 9.3382 9.3382 10.7038 10.7038 11.0195 11.0195 13.5616 13.5616 14.4293 14.4293 14.9216 14.9216 15.4572 15.4572 15.9473 15.9473 k = 0.2647 0.1528 0.4323 ( 2898 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7753 -14.7753 -14.7701 -14.7701 5.5907 5.5907 6.9422 6.9422 7.2756 7.2756 7.3850 7.3850 7.7309 7.7309 8.0801 8.0801 8.2562 8.2562 8.7375 8.7375 8.9675 8.9675 9.0877 9.0877 9.3527 9.3527 10.7493 10.7493 11.0477 11.0477 13.6264 13.6264 14.5335 14.5335 14.8782 14.8782 15.4373 15.4373 16.0001 16.0001 k = 0.2574 0.1486 0.4203 ( 2894 PWs) bands (ev): -36.2795 -36.2795 -15.2759 -15.2759 -14.7752 -14.7752 -14.7700 -14.7700 5.5240 5.5240 6.9347 6.9347 7.2754 7.2754 7.3813 7.3813 7.7058 7.7058 8.1309 8.1309 8.2549 8.2549 8.7474 8.7474 8.9611 8.9611 9.0821 9.0821 9.3679 9.3679 10.7891 10.7891 11.0827 11.0827 13.6908 13.6908 14.6367 14.6367 14.8366 14.8366 15.4184 15.4184 16.0560 16.0560 k = 0.2500 0.1443 0.4082 ( 2894 PWs) bands (ev): -36.2795 -36.2795 -15.2759 -15.2759 -14.7751 -14.7751 -14.7699 -14.7699 5.4546 5.4546 6.9274 6.9274 7.2711 7.2711 7.3769 7.3769 7.6811 7.6811 8.1650 8.1650 8.2750 8.2750 8.7580 8.7580 8.9566 8.9566 9.0825 9.0825 9.3838 9.3838 10.8232 10.8232 11.1245 11.1245 13.7548 13.7548 14.7158 14.7158 14.8199 14.8199 15.4004 15.4004 16.1148 16.1148 k = 0.2426 0.1401 0.3962 ( 2896 PWs) bands (ev): -36.2796 -36.2796 -15.2758 -15.2758 -14.7749 -14.7749 -14.7697 -14.7697 5.3830 5.3830 6.9206 6.9206 7.2638 7.2638 7.3716 7.3716 7.6570 7.6570 8.1710 8.1710 8.3267 8.3267 8.7693 8.7693 8.9539 8.9539 9.0889 9.0889 9.4001 9.4001 10.8523 10.8523 11.1727 11.1727 13.8185 13.8185 14.7041 14.7041 14.8944 14.8944 15.3835 15.3835 16.1766 16.1766 k = 0.2353 0.1358 0.3842 ( 2896 PWs) bands (ev): -36.2796 -36.2796 -15.2758 -15.2758 -14.7748 -14.7748 -14.7696 -14.7696 5.3097 5.3097 6.9144 6.9144 7.2541 7.2541 7.3652 7.3652 7.6335 7.6335 8.1627 8.1627 8.3951 8.3951 8.7812 8.7812 8.9529 8.9529 9.1013 9.1013 9.4167 9.4167 10.8779 10.8779 11.2263 11.2263 13.8818 13.8818 14.6572 14.6572 15.0038 15.0038 15.3678 15.3678 16.2413 16.2413 k = 0.2279 0.1316 0.3722 ( 2898 PWs) bands (ev): -36.2796 -36.2796 -15.2757 -15.2757 -14.7747 -14.7747 -14.7695 -14.7695 5.2351 5.2351 6.9089 6.9089 7.2426 7.2426 7.3577 7.3577 7.6104 7.6104 8.1491 8.1491 8.4703 8.4703 8.7936 8.7936 8.9535 8.9535 9.1194 9.1194 9.4335 9.4335 10.9012 10.9012 11.2841 11.2841 13.9447 13.9447 14.6037 14.6037 15.1188 15.1188 15.3538 15.3538 16.3086 16.3086 k = 0.2206 0.1274 0.3602 ( 2898 PWs) bands (ev): -36.2796 -36.2796 -15.2757 -15.2757 -14.7745 -14.7745 -14.7694 -14.7694 5.1597 5.1597 6.9043 6.9043 7.2299 7.2299 7.3492 7.3492 7.5874 7.5874 8.1331 8.1331 8.5485 8.5485 8.8063 8.8063 8.9558 8.9558 9.1431 9.1431 9.4504 9.4504 10.9234 10.9234 11.3454 11.3454 14.0071 14.0071 14.5474 14.5474 15.2320 15.2320 15.3440 15.3440 16.3784 16.3784 k = 0.2132 0.1231 0.3482 ( 2898 PWs) bands (ev): -36.2797 -36.2797 -15.2756 -15.2756 -14.7743 -14.7743 -14.7693 -14.7693 5.0839 5.0839 6.9005 6.9005 7.2163 7.2163 7.3398 7.3398 7.5646 7.5646 8.1158 8.1158 8.6277 8.6277 8.8193 8.8193 8.9601 8.9601 9.1720 9.1720 9.4673 9.4673 10.9456 10.9456 11.4093 11.4093 14.0685 14.0685 14.4893 14.4893 15.3049 15.3049 15.3750 15.3750 16.4505 16.4505 k = 0.2059 0.1189 0.3362 ( 2896 PWs) bands (ev): -36.2797 -36.2797 -15.2755 -15.2755 -14.7741 -14.7741 -14.7692 -14.7692 5.0082 5.0082 6.8975 6.8975 7.2021 7.2021 7.3295 7.3295 7.5417 7.5417 8.0978 8.0978 8.7060 8.7060 8.8327 8.8327 8.9671 8.9671 9.2058 9.2058 9.4842 9.4842 10.9685 10.9685 11.4754 11.4754 14.1282 14.1282 14.4309 14.4309 15.3034 15.3034 15.4783 15.4783 16.5081 16.5082 k = 0.1985 0.1146 0.3242 ( 2894 PWs) bands (ev): -36.2797 -36.2797 -15.2755 -15.2755 -14.7739 -14.7739 -14.7691 -14.7691 4.9328 4.9328 6.8954 6.8954 7.1876 7.1876 7.3185 7.3185 7.5187 7.5187 8.0793 8.0793 8.7805 8.7805 8.8463 8.8463 8.9783 8.9783 9.2441 9.2441 9.5009 9.5009 10.9928 10.9928 11.5432 11.5432 14.1829 14.1829 14.3755 14.3755 15.2935 15.2935 15.5846 15.5846 16.4895 16.4895 k = 0.1912 0.1104 0.3122 ( 2882 PWs) bands (ev): -36.2798 -36.2798 -15.2753 -15.2753 -14.7736 -14.7736 -14.7690 -14.7690 4.8582 4.8582 6.8942 6.8942 7.1729 7.1729 7.3069 7.3069 7.4956 7.4956 8.0607 8.0607 8.8446 8.8446 8.8620 8.8620 8.9979 8.9979 9.2869 9.2869 9.5174 9.5174 11.0193 11.0193 11.6125 11.6125 14.2178 14.2178 14.3384 14.3384 15.2831 15.2831 15.6814 15.6814 16.4847 16.4847 k = 0.1838 0.1061 0.3002 ( 2878 PWs) bands (ev): -36.2798 -36.2798 -15.2753 -15.2753 -14.7734 -14.7734 -14.7689 -14.7689 4.7846 4.7846 6.8937 6.8937 7.1582 7.1582 7.2949 7.2949 7.4725 7.4725 8.0422 8.0422 8.8708 8.8708 8.8986 8.8986 9.0331 9.0331 9.3336 9.3336 9.5338 9.5338 11.0485 11.0485 11.6830 11.6830 14.1972 14.1972 14.3552 14.3552 15.2731 15.2731 15.7622 15.7622 16.4995 16.4995 k = 0.1765 0.1019 0.2882 ( 2878 PWs) bands (ev): -36.2798 -36.2798 -15.2752 -15.2752 -14.7731 -14.7731 -14.7688 -14.7688 4.7123 4.7123 6.8940 6.8940 7.1437 7.1437 7.2825 7.2825 7.4492 7.4492 8.0239 8.0239 8.8845 8.8845 8.9276 8.9276 9.0864 9.0864 9.3839 9.3839 9.5501 9.5501 11.0809 11.0809 11.7543 11.7543 14.1423 14.1423 14.4052 14.4052 15.2637 15.2637 15.8216 15.8216 16.5378 16.5378 k = 0.1691 0.0976 0.2762 ( 2882 PWs) bands (ev): -36.2798 -36.2798 -15.2751 -15.2751 -14.7729 -14.7729 -14.7688 -14.7688 4.6415 4.6415 6.8949 6.8949 7.1295 7.1295 7.2699 7.2699 7.4259 7.4259 8.0061 8.0061 8.8973 8.8973 8.9448 8.9448 9.1494 9.1494 9.4369 9.4369 9.5665 9.5665 11.1170 11.1170 11.8263 11.8263 14.0788 14.0788 14.4627 14.4627 15.2551 15.2551 15.8586 15.8586 16.5972 16.5972 k = 0.1618 0.0934 0.2642 ( 2882 PWs) bands (ev): -36.2799 -36.2799 -15.2751 -15.2751 -14.7727 -14.7727 -14.7687 -14.7687 4.5725 4.5725 6.8964 6.8964 7.1157 7.1157 7.2570 7.2570 7.4027 7.4027 7.9888 7.9888 8.9095 8.9095 8.9566 8.9566 9.2152 9.2152 9.4913 9.4913 9.5838 9.5838 11.1575 11.1575 11.8987 11.8987 14.0125 14.0125 14.5224 14.5224 15.2476 15.2476 15.8765 15.8765 16.6652 16.6652 k = 0.1544 0.0891 0.2522 ( 2882 PWs) bands (ev): -36.2799 -36.2799 -15.2750 -15.2750 -14.7724 -14.7724 -14.7687 -14.7687 4.5055 4.5055 6.8984 6.8984 7.1024 7.1024 7.2440 7.2440 7.3796 7.3796 7.9723 7.9723 8.9212 8.9212 8.9659 8.9659 9.2805 9.2805 9.5432 9.5432 9.6047 9.6047 11.2028 11.2028 11.9710 11.9710 13.9450 13.9450 14.5827 14.5827 15.2413 15.2413 15.8811 15.8811 16.7138 16.7138 k = 0.1471 0.0849 0.2401 ( 2866 PWs) bands (ev): -36.2799 -36.2799 -15.2749 -15.2749 -14.7721 -14.7721 -14.7686 -14.7686 4.4407 4.4407 6.9009 6.9009 7.0897 7.0897 7.2309 7.2309 7.3567 7.3567 7.9566 7.9566 8.9322 8.9322 8.9739 8.9739 9.3444 9.3444 9.5829 9.5829 9.6377 9.6377 11.2533 11.2533 12.0431 12.0431 13.8772 13.8772 14.6432 14.6432 15.2366 15.2366 15.8778 15.8778 16.7175 16.7175 k = 0.1397 0.0807 0.2281 ( 2866 PWs) bands (ev): -36.2800 -36.2800 -15.2748 -15.2748 -14.7718 -14.7718 -14.7685 -14.7685 4.3782 4.3782 6.9039 6.9039 7.0776 7.0776 7.2179 7.2179 7.3341 7.3341 7.9418 7.9418 8.9425 8.9425 8.9811 8.9811 9.4065 9.4065 9.6063 9.6063 9.6860 9.6860 11.3092 11.3092 12.1144 12.1144 13.8095 13.8095 14.7037 14.7037 15.2336 15.2336 15.8704 15.8704 16.6884 16.6884 k = 0.1324 0.0764 0.2161 ( 2866 PWs) bands (ev): -36.2800 -36.2800 -15.2747 -15.2747 -14.7715 -14.7715 -14.7685 -14.7685 4.3181 4.3181 6.9072 6.9072 7.0662 7.0662 7.2049 7.2049 7.3119 7.3119 7.9280 7.9280 8.9522 8.9522 8.9876 8.9876 9.4667 9.4667 9.6226 9.6226 9.7391 9.7391 11.3706 11.3706 12.1847 12.1847 13.7425 13.7425 14.7639 14.7639 15.2329 15.2329 15.8616 15.8616 16.6457 16.6457 k = 0.1250 0.0722 0.2041 ( 2862 PWs) bands (ev): -36.2800 -36.2800 -15.2746 -15.2746 -14.7713 -14.7713 -14.7685 -14.7685 4.2607 4.2607 6.9108 6.9108 7.0555 7.0555 7.1920 7.1920 7.2900 7.2900 7.9152 7.9152 8.9612 8.9612 8.9936 8.9936 9.5252 9.5252 9.6367 9.6367 9.7914 9.7914 11.4375 11.4375 12.2535 12.2535 13.6767 13.6767 14.8237 14.8237 15.2348 15.2348 15.8530 15.8530 16.5974 16.5974 k = 0.1176 0.0679 0.1921 ( 2870 PWs) bands (ev): -36.2801 -36.2801 -15.2746 -15.2746 -14.7710 -14.7710 -14.7685 -14.7685 4.2061 4.2061 6.9147 6.9147 7.0456 7.0456 7.1792 7.1792 7.2687 7.2687 7.9034 7.9034 8.9696 8.9696 8.9991 8.9991 9.5811 9.5811 9.6505 9.6505 9.8412 9.8412 11.5095 11.5095 12.3204 12.3204 13.6125 13.6125 14.8829 14.8829 15.2396 15.2396 15.8457 15.8457 16.5464 16.5464 k = 0.1103 0.0637 0.1801 ( 2870 PWs) bands (ev): -36.2801 -36.2801 -15.2745 -15.2745 -14.7707 -14.7707 -14.7685 -14.7685 4.1542 4.1542 6.9188 6.9188 7.0365 7.0365 7.1667 7.1667 7.2479 7.2479 7.8927 7.8927 8.9774 8.9774 9.0040 9.0040 9.6305 9.6305 9.6684 9.6684 9.8874 9.8874 11.5860 11.5860 12.3852 12.3852 13.5504 13.5504 14.9416 14.9416 15.2480 15.2480 15.8405 15.8405 16.4937 16.4937 k = 0.1029 0.0594 0.1681 ( 2870 PWs) bands (ev): -36.2801 -36.2801 -15.2745 -15.2745 -14.7705 -14.7705 -14.7684 -14.7684 4.1054 4.1054 6.9231 6.9231 7.0283 7.0283 7.1543 7.1543 7.2277 7.2277 7.8831 7.8831 8.9845 8.9845 9.0084 9.0084 9.6583 9.6583 9.7058 9.7058 9.9297 9.9297 11.6660 11.6660 12.4477 12.4477 13.4912 13.4912 14.9993 14.9993 15.2600 15.2600 15.8379 15.8379 16.4392 16.4392 k = 0.0956 0.0552 0.1561 ( 2870 PWs) bands (ev): -36.2801 -36.2801 -15.2744 -15.2744 -14.7702 -14.7702 -14.7684 -14.7684 4.0595 4.0595 6.9276 6.9276 7.0209 7.0209 7.1423 7.1423 7.2082 7.2082 7.8745 7.8745 8.9911 8.9911 9.0123 9.0123 9.6714 9.6714 9.7556 9.7556 9.9679 9.9679 11.7482 11.7482 12.5078 12.5078 13.4353 13.4353 15.0561 15.0561 15.2759 15.2759 15.8383 15.8383 16.3827 16.3827 k = 0.0882 0.0509 0.1441 ( 2866 PWs) bands (ev): -36.2802 -36.2802 -15.2743 -15.2743 -14.7700 -14.7700 -14.7684 -14.7684 4.0168 4.0168 6.9323 6.9323 7.0144 7.0144 7.1306 7.1306 7.1893 7.1893 7.8669 7.8669 8.9971 8.9971 9.0158 9.0158 9.6810 9.6810 9.8064 9.8064 10.0020 10.0020 11.8310 11.8310 12.5657 12.5657 13.3834 13.3834 15.1116 15.1116 15.2956 15.2956 15.8424 15.8424 16.3236 16.3236 k = 0.0809 0.0467 0.1321 ( 2868 PWs) bands (ev): -36.2802 -36.2802 -15.2743 -15.2743 -14.7697 -14.7697 -14.7684 -14.7684 3.9772 3.9772 6.9371 6.9371 7.0088 7.0088 7.1193 7.1193 7.1713 7.1713 7.8602 7.8602 9.0026 9.0026 9.0188 9.0188 9.6892 9.6892 9.8560 9.8560 10.0323 10.0323 11.9122 11.9122 12.6219 12.6219 13.3361 13.3361 15.1657 15.1657 15.3187 15.3187 15.8506 15.8506 16.2612 16.2612 k = 0.0735 0.0425 0.1201 ( 2862 PWs) bands (ev): -36.2802 -36.2802 -15.2742 -15.2742 -14.7695 -14.7695 -14.7684 -14.7684 3.9409 3.9409 6.9422 6.9422 7.0040 7.0040 7.1084 7.1084 7.1540 7.1540 7.8545 7.8545 9.0075 9.0075 9.0213 9.0213 9.6964 9.6964 9.9037 9.9037 10.0588 10.0588 11.9895 11.9895 12.6772 12.6772 13.2941 13.2941 15.2178 15.2178 15.3448 15.3448 15.8637 15.8637 16.1952 16.1952 k = 0.0662 0.0382 0.1081 ( 2862 PWs) bands (ev): -36.2802 -36.2802 -15.2742 -15.2742 -14.7693 -14.7693 -14.7684 -14.7684 3.9079 3.9079 6.9475 6.9475 7.0001 7.0001 7.0980 7.0980 7.1375 7.1375 7.8496 7.8496 9.0120 9.0120 9.0235 9.0235 9.7027 9.7027 9.9490 9.9490 10.0820 10.0820 12.0603 12.0603 12.7327 12.7327 13.2577 13.2577 15.2678 15.2678 15.3728 15.3728 15.8826 15.8826 16.1254 16.1254 k = 0.0588 0.0340 0.0961 ( 2864 PWs) bands (ev): -36.2802 -36.2802 -15.2741 -15.2741 -14.7691 -14.7691 -14.7684 -14.7684 3.8782 3.8782 6.9529 6.9529 6.9971 6.9971 7.0881 7.0881 7.1219 7.1219 7.8455 7.8455 9.0159 9.0159 9.0252 9.0252 9.7083 9.7083 9.9914 9.9914 10.1019 10.1019 12.1223 12.1223 12.7894 12.7894 13.2270 13.2270 15.3151 15.3151 15.4013 15.4013 15.9076 15.9076 16.0525 16.0525 k = 0.0515 0.0297 0.0841 ( 2856 PWs) bands (ev): -36.2803 -36.2803 -15.2741 -15.2741 -14.7689 -14.7689 -14.7684 -14.7684 3.8519 3.8519 6.9586 6.9586 6.9949 6.9949 7.0788 7.0788 7.1072 7.1072 7.8421 7.8421 9.0194 9.0194 9.0267 9.0267 9.7132 9.7132 10.0304 10.0304 10.1189 10.1189 12.1736 12.1736 12.8479 12.8479 13.2022 13.2022 15.3592 15.3592 15.4289 15.4289 15.9351 15.9351 15.9826 15.9826 k = 0.0441 0.0255 0.0720 ( 2850 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7688 -14.7688 -14.7684 -14.7684 3.8291 3.8291 6.9644 6.9644 6.9934 6.9934 7.0703 7.0703 7.0935 7.0935 7.8393 7.8393 9.0224 9.0224 9.0279 9.0279 9.7174 9.7174 10.0656 10.0656 10.1332 10.1332 12.2136 12.2136 12.9076 12.9076 13.1827 13.1827 15.3996 15.3996 15.4542 15.4542 15.8935 15.8935 15.9895 15.9895 k = 0.0368 0.0212 0.0600 ( 2857 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7686 -14.7686 -14.7684 -14.7684 3.8097 3.8097 6.9704 6.9704 6.9926 6.9926 7.0626 7.0626 7.0807 7.0807 7.8370 7.8370 9.0249 9.0249 9.0288 9.0288 9.7208 9.7208 10.0964 10.0964 10.1449 10.1449 12.2429 12.2429 12.9666 12.9666 13.1680 13.1680 15.4355 15.4355 15.4762 15.4762 15.8213 15.8213 16.0375 16.0375 k = 0.0294 0.0170 0.0480 ( 2869 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7686 -14.7686 -14.7684 -14.7684 3.7938 3.7938 6.9765 6.9765 6.9923 6.9923 7.0558 7.0558 7.0690 7.0690 7.8353 7.8353 9.0270 9.0270 9.0295 9.0295 9.7236 9.7236 10.1224 10.1224 10.1543 10.1543 12.2630 12.2630 13.0222 13.0222 13.1573 13.1573 15.4663 15.4663 15.4941 15.4941 15.7535 15.7535 16.0935 16.0935 k = 0.0221 0.0127 0.0360 ( 2881 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7814 3.7814 6.9824 6.9824 6.9924 6.9924 7.0501 7.0501 7.0587 7.0587 7.8340 7.8340 9.0285 9.0285 9.0300 9.0300 9.7258 9.7258 10.1431 10.1431 10.1615 10.1615 12.2759 12.2759 13.0709 13.0709 13.1499 13.1499 15.4913 15.4913 15.5078 15.5078 15.6950 15.6950 16.1535 16.1535 k = 0.0147 0.0085 0.0240 ( 2887 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7726 3.7726 6.9877 6.9877 6.9928 6.9928 7.0458 7.0458 7.0502 7.0502 7.8331 7.8331 9.0297 9.0297 9.0303 9.0303 9.7274 9.7274 10.1582 10.1582 10.1665 10.1665 12.2835 12.2835 13.1090 13.1090 13.1451 13.1451 15.5098 15.5098 15.5174 15.5174 15.6498 15.6498 16.2114 16.2114 k = 0.0074 0.0042 0.0120 ( 2891 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7672 3.7672 6.9917 6.9917 6.9932 6.9932 7.0431 7.0431 7.0443 7.0443 7.8325 7.8325 9.0303 9.0303 9.0305 9.0305 9.7283 9.7283 10.1674 10.1674 10.1695 10.1695 12.2875 12.2875 13.1333 13.1333 13.1425 13.1425 15.5211 15.5211 15.5231 15.5231 15.6211 15.6211 16.2569 16.2569 k = 0.0000 0.0000 0.0000 ( 2891 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7655 3.7655 6.9933 6.9933 6.9933 6.9933 7.0421 7.0421 7.0421 7.0421 7.8324 7.8324 9.0306 9.0306 9.0306 9.0306 9.7286 9.7286 10.1705 10.1705 10.1705 10.1705 12.2887 12.2887 13.1416 13.1416 13.1416 13.1416 15.5250 15.5250 15.5250 15.5250 15.6113 15.6113 16.2751 16.2751 k = 0.0000 0.0000 0.0000 ( 2891 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7655 3.7655 6.9933 6.9933 6.9933 6.9933 7.0421 7.0421 7.0421 7.0421 7.8324 7.8324 9.0306 9.0306 9.0306 9.0306 9.7286 9.7286 10.1705 10.1705 10.1705 10.1705 12.2887 12.2887 13.1416 13.1416 13.1416 13.1416 15.5250 15.5250 15.5250 15.5250 15.6113 15.6113 16.2751 16.2751 k = 0.0119 0.0069 0.0049 ( 2891 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7672 3.7672 6.9923 6.9923 6.9926 6.9926 7.0434 7.0434 7.0440 7.0440 7.8325 7.8325 9.0304 9.0304 9.0305 9.0305 9.7283 9.7283 10.1680 10.1680 10.1690 10.1690 12.2875 12.2875 13.1328 13.1328 13.1431 13.1431 15.5221 15.5221 15.5222 15.5222 15.6210 15.6210 16.2572 16.2572 k = 0.0238 0.0137 0.0097 ( 2885 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7685 -14.7685 -14.7685 -14.7685 3.7724 3.7724 6.9898 6.9898 6.9907 6.9907 7.0469 7.0469 7.0491 7.0491 7.8330 7.8330 9.0298 9.0298 9.0302 9.0302 9.7274 9.7274 10.1607 10.1607 10.1644 10.1644 12.2835 12.2835 13.1075 13.1075 13.1473 13.1473 15.5137 15.5137 15.5141 15.5141 15.6490 15.6490 16.2121 16.2121 k = 0.0357 0.0206 0.0146 ( 2885 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7686 -14.7686 -14.7685 -14.7685 3.7811 3.7811 6.9866 6.9866 6.9880 6.9880 7.0523 7.0523 7.0566 7.0566 7.8339 7.8339 9.0289 9.0289 9.0296 9.0296 9.7259 9.7259 10.1485 10.1485 10.1567 10.1567 12.2752 12.2752 13.0686 13.0686 13.1543 13.1543 15.5001 15.5001 15.5009 15.5009 15.6923 15.6923 16.1549 16.1549 k = 0.0476 0.0275 0.0194 ( 2870 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7686 -14.7686 -14.7684 -14.7684 3.7933 3.7933 6.9832 6.9832 6.9850 6.9850 7.0591 7.0591 7.0659 7.0659 7.8352 7.8352 9.0276 9.0276 9.0289 9.0289 9.7237 9.7237 10.1317 10.1317 10.1462 10.1462 12.2603 12.2603 13.0212 13.0212 13.1640 13.1640 15.4821 15.4821 15.4832 15.4832 15.7449 15.7449 16.0983 16.0983 k = 0.0595 0.0344 0.0243 ( 2852 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7686 -14.7686 -14.7684 -14.7684 3.8089 3.8089 6.9802 6.9802 6.9819 6.9819 7.0671 7.0671 7.0766 7.0766 7.8369 7.8369 9.0260 9.0260 9.0278 9.0278 9.7209 9.7209 10.1104 10.1104 10.1328 10.1328 12.2353 12.2353 12.9711 12.9711 13.1763 13.1763 15.4603 15.4603 15.4615 15.4615 15.7931 15.7931 16.0579 16.0579 k = 0.0714 0.0412 0.0292 ( 2858 PWs) bands (ev): -36.2803 -36.2803 -15.2740 -15.2740 -14.7688 -14.7688 -14.7684 -14.7684 3.8280 3.8280 6.9777 6.9777 6.9790 6.9790 7.0759 7.0759 7.0884 7.0884 7.8390 7.8390 9.0239 9.0239 9.0264 9.0264 9.7175 9.7175 10.0850 10.0850 10.1166 10.1166 12.1962 12.1962 12.9250 12.9250 13.1909 13.1909 15.4353 15.4353 15.4366 15.4366 15.8095 15.8095 16.0611 16.0611 k = 0.0833 0.0481 0.0340 ( 2855 PWs) bands (ev): -36.2803 -36.2803 -15.2741 -15.2741 -14.7689 -14.7689 -14.7684 -14.7684 3.8505 3.8505 6.9759 6.9759 6.9763 6.9763 7.0855 7.0855 7.1012 7.1012 7.8417 7.8417 9.0215 9.0215 9.0247 9.0247 9.7133 9.7133 10.0556 10.0556 10.0979 10.0979 12.1395 12.1395 12.8886 12.8886 13.2076 13.2076 15.4081 15.4081 15.4091 15.4091 15.7819 15.7819 16.1188 16.1188 k = 0.0952 0.0550 0.0389 ( 2861 PWs) bands (ev): -36.2803 -36.2803 -15.2741 -15.2741 -14.7691 -14.7691 -14.7684 -14.7684 3.8763 3.8763 6.9740 6.9740 6.9748 6.9748 7.0958 7.0958 7.1147 7.1147 7.8450 7.8450 9.0187 9.0187 9.0225 9.0225 9.7085 9.7085 10.0226 10.0226 10.0768 10.0768 12.0639 12.0639 12.8654 12.8654 13.2262 13.2262 15.3793 15.3793 15.3798 15.3798 15.7323 15.7323 16.2075 16.2075 k = 0.1071 0.0619 0.0437 ( 2860 PWs) bands (ev): -36.2802 -36.2802 -15.2742 -15.2742 -14.7693 -14.7693 -14.7684 -14.7684 3.9055 3.9055 6.9722 6.9722 6.9745 6.9745 7.1068 7.1068 7.1290 7.1290 7.8488 7.8488 9.0156 9.0156 9.0198 9.0198 9.7029 9.7029 9.9863 9.9863 10.0534 10.0534 11.9706 11.9706 12.8558 12.8558 13.2464 13.2464 15.3494 15.3494 15.3496 15.3496 15.6760 15.6760 16.3104 16.3104 k = 0.1190 0.0687 0.0486 ( 2848 PWs) bands (ev): -36.2802 -36.2802 -15.2742 -15.2742 -14.7695 -14.7695 -14.7683 -14.7683 3.9380 3.9380 6.9707 6.9707 6.9751 6.9751 7.1185 7.1185 7.1440 7.1440 7.8534 7.8534 9.0122 9.0122 9.0166 9.0166 9.6965 9.6965 9.9469 9.9469 10.0279 10.0279 11.8625 11.8625 12.8582 12.8582 13.2680 13.2680 15.3186 15.3186 15.3196 15.3196 15.6184 15.6184 16.4203 16.4203 k = 0.1310 0.0756 0.0535 ( 2860 PWs) bands (ev): -36.2802 -36.2802 -15.2742 -15.2742 -14.7698 -14.7698 -14.7683 -14.7683 3.9737 3.9737 6.9698 6.9698 6.9765 6.9765 7.1307 7.1307 7.1596 7.1596 7.8586 7.8586 9.0084 9.0084 9.0128 9.0128 9.6892 9.6892 9.9048 9.9048 10.0005 10.0005 11.7430 11.7430 12.8699 12.8699 13.2906 13.2906 15.2878 15.2878 15.2897 15.2897 15.5614 15.5614 16.5331 16.5331 k = 0.1429 0.0825 0.0583 ( 2854 PWs) bands (ev): -36.2802 -36.2802 -15.2743 -15.2743 -14.7700 -14.7700 -14.7683 -14.7683 4.0127 4.0127 6.9693 6.9693 6.9787 6.9787 7.1436 7.1436 7.1757 7.1757 7.8646 7.8646 9.0043 9.0043 9.0084 9.0084 9.6811 9.6811 9.8601 9.8601 9.9715 9.9715 11.6154 11.6154 12.8889 12.8889 13.3138 13.3138 15.2579 15.2579 15.2607 15.2607 15.5059 15.5059 16.6453 16.6453 k = 0.1548 0.0894 0.0632 ( 2866 PWs) bands (ev): -36.2801 -36.2801 -15.2744 -15.2744 -14.7703 -14.7703 -14.7683 -14.7683 4.0548 4.0548 6.9692 6.9692 6.9817 6.9817 7.1572 7.1572 7.1924 7.1924 7.8713 7.8713 8.9999 8.9999 9.0033 9.0033 9.6720 9.6720 9.8132 9.8132 9.9409 9.9409 11.4821 11.4821 12.9131 12.9131 13.3375 13.3375 15.2293 15.2293 15.2328 15.2328 15.4523 15.4523 16.7522 16.7522 k = 0.1667 0.0962 0.0680 ( 2875 PWs) bands (ev): -36.2801 -36.2801 -15.2745 -15.2745 -14.7706 -14.7706 -14.7683 -14.7683 4.1000 4.1000 6.9697 6.9697 6.9856 6.9856 7.1713 7.1713 7.2094 7.2094 7.8788 7.8788 8.9951 8.9951 8.9974 8.9974 9.6619 9.6619 9.7641 9.7641 9.9090 9.9090 11.3454 11.3454 12.9410 12.9410 13.3610 13.3610 15.2024 15.2024 15.2066 15.2066 15.4006 15.4006 16.8468 16.8468 k = 0.1786 0.1031 0.0729 ( 2875 PWs) bands (ev): -36.2801 -36.2801 -15.2745 -15.2745 -14.7709 -14.7709 -14.7683 -14.7683 4.1482 4.1482 6.9707 6.9707 6.9902 6.9902 7.1861 7.1861 7.2269 7.2269 7.8871 7.8871 8.9902 8.9902 8.9909 8.9909 9.6506 9.6506 9.7131 9.7131 9.8760 9.8760 11.2067 11.2067 12.9715 12.9715 13.3843 13.3843 15.1779 15.1779 15.1823 15.1823 15.3509 15.3509 16.9187 16.9187 k = 0.1905 0.1100 0.0778 ( 2875 PWs) bands (ev): -36.2801 -36.2801 -15.2746 -15.2746 -14.7712 -14.7712 -14.7683 -14.7683 4.1994 4.1994 6.9722 6.9722 6.9956 6.9956 7.2015 7.2015 7.2447 7.2447 7.8960 7.8960 8.9836 8.9836 8.9849 8.9849 9.6374 9.6374 9.6610 9.6610 9.8420 9.8420 11.0675 11.0675 13.0037 13.0037 13.4068 13.4068 15.1562 15.1562 15.1603 15.1603 15.3033 15.3033 16.9555 16.9555 k = 0.2024 0.1168 0.0826 ( 2887 PWs) bands (ev): -36.2800 -36.2800 -15.2747 -15.2747 -14.7715 -14.7715 -14.7683 -14.7683 4.2534 4.2534 6.9743 6.9743 7.0017 7.0017 7.2175 7.2175 7.2627 7.2627 7.9057 7.9057 8.9756 8.9756 8.9794 8.9794 9.6032 9.6032 9.6268 9.6268 9.8072 9.8072 10.9288 10.9288 13.0367 13.0367 13.4282 13.4282 15.1376 15.1376 15.1409 15.1409 15.2578 15.2578 16.9493 16.9493 k = 0.2143 0.1237 0.0875 ( 2893 PWs) bands (ev): -36.2800 -36.2800 -15.2748 -15.2748 -14.7718 -14.7718 -14.7683 -14.7683 4.3103 4.3103 6.9768 6.9768 7.0085 7.0085 7.2341 7.2341 7.2810 7.2810 7.9159 7.9159 8.9668 8.9668 8.9737 8.9737 9.5475 9.5475 9.6110 9.6110 9.7718 9.7718 10.7918 10.7918 13.0699 13.0699 13.4483 13.4483 15.1227 15.1227 15.1241 15.1241 15.2145 15.2145 16.9034 16.9034 k = 0.2262 0.1306 0.0923 ( 2884 PWs) bands (ev): -36.2800 -36.2800 -15.2748 -15.2748 -14.7721 -14.7721 -14.7682 -14.7682 4.3698 4.3698 6.9799 6.9799 7.0159 7.0159 7.2513 7.2513 7.2994 7.2994 7.9267 7.9267 8.9574 8.9574 8.9679 8.9679 9.4891 9.4891 9.5944 9.5944 9.7360 9.7360 10.6574 10.6574 13.1029 13.1029 13.4666 13.4666 15.1099 15.1099 15.1116 15.1116 15.1739 15.1739 16.8290 16.8290 k = 0.2381 0.1375 0.0972 ( 2884 PWs) bands (ev): -36.2800 -36.2800 -15.2749 -15.2749 -14.7724 -14.7724 -14.7682 -14.7682 4.4319 4.4319 6.9833 6.9833 7.0239 7.0239 7.2691 7.2691 7.3180 7.3180 7.9378 7.9378 8.9473 8.9473 8.9619 8.9619 9.4287 9.4287 9.5764 9.5764 9.7000 9.7000 10.5264 10.5264 13.1352 13.1352 13.4830 13.4830 15.0967 15.0967 15.1048 15.1048 15.1377 15.1377 16.7375 16.7375 k = 0.2500 0.1443 0.1021 ( 2884 PWs) bands (ev): -36.2799 -36.2799 -15.2750 -15.2750 -14.7727 -14.7727 -14.7682 -14.7682 4.4965 4.4965 6.9873 6.9873 7.0324 7.0324 7.2874 7.2874 7.3365 7.3365 7.9493 7.9493 8.9366 8.9366 8.9558 8.9558 9.3662 9.3662 9.5567 9.5567 9.6638 9.6638 10.4000 10.4000 13.1663 13.1663 13.4972 13.4972 15.0776 15.0776 15.1023 15.1023 15.1130 15.1130 16.6371 16.6371 k = 0.2619 0.1512 0.1069 ( 2887 PWs) bands (ev): -36.2799 -36.2799 -15.2750 -15.2750 -14.7731 -14.7731 -14.7682 -14.7682 4.5635 4.5635 6.9916 6.9916 7.0414 7.0414 7.3062 7.3062 7.3550 7.3550 7.9607 7.9607 8.9255 8.9255 8.9496 8.9496 9.3014 9.3014 9.5350 9.5350 9.6276 9.6276 10.2790 10.2790 13.1960 13.1960 13.5091 13.5091 15.0480 15.0480 15.1043 15.1043 15.1046 15.1046 16.5330 16.5330 k = 0.2738 0.1581 0.1118 ( 2887 PWs) bands (ev): -36.2799 -36.2799 -15.2751 -15.2751 -14.7734 -14.7734 -14.7682 -14.7682 4.6326 4.6326 6.9961 6.9961 7.0507 7.0507 7.3255 7.3255 7.3734 7.3734 7.9721 7.9721 8.9140 8.9140 8.9434 8.9434 9.2342 9.2342 9.5114 9.5114 9.5917 9.5917 10.1644 10.1644 13.2239 13.2239 13.5187 13.5187 15.0156 15.0156 15.1051 15.1051 15.1109 15.1109 16.4281 16.4281 k = 0.2857 0.1650 0.1166 ( 2902 PWs) bands (ev): -36.2798 -36.2798 -15.2752 -15.2752 -14.7737 -14.7737 -14.7682 -14.7682 4.7038 4.7038 7.0009 7.0009 7.0604 7.0604 7.3452 7.3452 7.3917 7.3917 7.9831 7.9831 8.9023 8.9023 8.9372 8.9372 9.1643 9.1643 9.4855 9.4855 9.5560 9.5560 10.0571 10.0571 13.2500 13.2500 13.5258 13.5258 14.9837 14.9837 15.1109 15.1109 15.1220 15.1220 16.3245 16.3245 k = 0.2976 0.1718 0.1215 ( 2899 PWs) bands (ev): -36.2798 -36.2798 -15.2753 -15.2753 -14.7740 -14.7740 -14.7682 -14.7682 4.7769 4.7769 7.0057 7.0057 7.0703 7.0703 7.3653 7.3653 7.4096 7.4096 7.9934 7.9934 8.8906 8.8906 8.9311 8.9311 9.0918 9.0918 9.4572 9.4572 9.5209 9.5209 9.9582 9.9582 13.2740 13.2740 13.5308 13.5308 14.9534 14.9534 15.1214 15.1214 15.1374 15.1374 16.2233 16.2233 k = 0.3095 0.1787 0.1264 ( 2899 PWs) bands (ev): -36.2798 -36.2798 -15.2753 -15.2753 -14.7743 -14.7743 -14.7681 -14.7681 4.8517 4.8517 7.0104 7.0104 7.0804 7.0804 7.3856 7.3856 7.4273 7.4273 8.0028 8.0028 8.8791 8.8791 8.9252 8.9252 9.0168 9.0168 9.4265 9.4265 9.4864 9.4864 9.8682 9.8682 13.2958 13.2958 13.5336 13.5336 14.9248 14.9248 15.1363 15.1363 15.1568 15.1568 16.1255 16.1255 k = 0.3214 0.1856 0.1312 ( 2899 PWs) bands (ev): -36.2798 -36.2798 -15.2754 -15.2754 -14.7746 -14.7746 -14.7681 -14.7681 4.9279 4.9279 7.0148 7.0148 7.0905 7.0905 7.4061 7.4061 7.4445 7.4445 8.0107 8.0107 8.8680 8.8680 8.9194 8.9194 8.9399 8.9399 9.3934 9.3934 9.4526 9.4526 9.7875 9.7875 13.3155 13.3155 13.5346 13.5346 14.8981 14.8981 15.1553 15.1553 15.1801 15.1801 16.0316 16.0316 k = 0.3333 0.1925 0.1361 ( 2899 PWs) bands (ev): -36.2797 -36.2797 -15.2755 -15.2755 -14.7749 -14.7749 -14.7681 -14.7681 5.0053 5.0053 7.0185 7.0185 7.1007 7.1007 7.4267 7.4267 7.4613 7.4613 8.0169 8.0169 8.8565 8.8565 8.8628 8.8628 8.9139 8.9139 9.3580 9.3580 9.4198 9.4198 9.7160 9.7160 13.3330 13.3330 13.5338 13.5338 14.8733 14.8733 15.1782 15.1782 15.2067 15.2067 15.9423 15.9423 k = 0.3452 0.1993 0.1409 ( 2899 PWs) bands (ev): -36.2797 -36.2797 -15.2755 -15.2755 -14.7752 -14.7752 -14.7681 -14.7681 5.0837 5.0837 7.0214 7.0214 7.1107 7.1107 7.4471 7.4471 7.4774 7.4774 8.0207 8.0207 8.7829 8.7829 8.8486 8.8486 8.9087 8.9087 9.3210 9.3210 9.3881 9.3881 9.6531 9.6531 13.3484 13.3484 13.5316 13.5316 14.8506 14.8506 15.2047 15.2047 15.2362 15.2362 15.8577 15.8577 k = 0.3571 0.2062 0.1458 ( 2905 PWs) bands (ev): -36.2797 -36.2797 -15.2756 -15.2756 -14.7754 -14.7754 -14.7681 -14.7681 5.1625 5.1625 7.0231 7.0231 7.1205 7.1205 7.4672 7.4672 7.4929 7.4929 8.0217 8.0217 8.7057 8.7057 8.8407 8.8407 8.9039 8.9039 9.2831 9.2831 9.3577 9.3577 9.5980 9.5980 13.3618 13.3618 13.5283 13.5283 14.8300 14.8300 15.2346 15.2346 15.2681 15.2681 15.7781 15.7781 k = 0.3690 0.2131 0.1507 ( 2905 PWs) bands (ev): -36.2797 -36.2797 -15.2757 -15.2757 -14.7757 -14.7757 -14.7681 -14.7681 5.2416 5.2416 7.0231 7.0231 7.1300 7.1300 7.4869 7.4869 7.5076 7.5076 8.0194 8.0194 8.6313 8.6313 8.8345 8.8345 8.8994 8.8994 9.2449 9.2449 9.3286 9.3286 9.5495 9.5495 13.3733 13.3733 13.5241 13.5241 14.8115 14.8115 15.2673 15.2673 15.3018 15.3018 15.7039 15.7039 k = 0.3810 0.2199 0.1555 ( 2893 PWs) bands (ev): -36.2796 -36.2796 -15.2757 -15.2757 -14.7758 -14.7758 -14.7680 -14.7680 5.3202 5.3202 7.0210 7.0210 7.1391 7.1391 7.5059 7.5059 7.5215 7.5215 8.0132 8.0132 8.5613 8.5613 8.8304 8.8304 8.8954 8.8954 9.2074 9.2074 9.3011 9.3011 9.5066 9.5066 13.3831 13.3831 13.5194 13.5194 14.7951 14.7951 15.3024 15.3024 15.3367 15.3367 15.6352 15.6352 k = 0.3929 0.2268 0.1604 ( 2884 PWs) bands (ev): -36.2796 -36.2796 -15.2757 -15.2757 -14.7760 -14.7760 -14.7680 -14.7680 5.3979 5.3979 7.0165 7.0165 7.1477 7.1477 7.5239 7.5239 7.5344 7.5344 8.0032 8.0032 8.4975 8.4975 8.8286 8.8286 8.8919 8.8919 9.1711 9.1711 9.2754 9.2754 9.4683 9.4683 13.3914 13.3914 13.5143 13.5143 14.7807 14.7807 15.3394 15.3394 15.3721 15.3721 15.5721 15.5721 k = 0.4048 0.2337 0.1652 ( 2884 PWs) bands (ev): -36.2796 -36.2796 -15.2757 -15.2757 -14.7762 -14.7762 -14.7680 -14.7680 5.4738 5.4738 7.0092 7.0092 7.1556 7.1556 7.5407 7.5407 7.5462 7.5462 7.9893 7.9893 8.4409 8.4409 8.8293 8.8293 8.8889 8.8889 9.1365 9.1365 9.2516 9.2516 9.4340 9.4340 13.3982 13.3982 13.5092 13.5092 14.7685 14.7685 15.3775 15.3775 15.4073 15.4073 15.5149 15.5149 k = 0.4167 0.2406 0.1701 ( 2884 PWs) bands (ev): -36.2796 -36.2796 -15.2758 -15.2758 -14.7764 -14.7764 -14.7680 -14.7680 5.5470 5.5470 6.9988 6.9988 7.1629 7.1629 7.5558 7.5558 7.5570 7.5570 7.9725 7.9725 8.3924 8.3924 8.8327 8.8327 8.8864 8.8864 9.1037 9.1037 9.2299 9.2299 9.4034 9.4034 13.4039 13.4039 13.5041 13.5041 14.7582 14.7582 15.4158 15.4158 15.4415 15.4415 15.4637 15.4637 k = 0.4286 0.2474 0.1750 ( 2890 PWs) bands (ev): -36.2796 -36.2796 -15.2758 -15.2758 -14.7765 -14.7765 -14.7680 -14.7680 5.6164 5.6164 6.9856 6.9856 7.1694 7.1694 7.5665 7.5665 7.5690 7.5690 7.9541 7.9541 8.3521 8.3521 8.8388 8.8388 8.8844 8.8844 9.0730 9.0730 9.2105 9.2105 9.3763 9.3763 13.4084 13.4084 13.4994 13.4994 14.7497 14.7497 15.4185 15.4185 15.4538 15.4538 15.4738 15.4738 k = 0.4405 0.2543 0.1798 ( 2902 PWs) bands (ev): -36.2796 -36.2796 -15.2759 -15.2759 -14.7767 -14.7767 -14.7680 -14.7680 5.6804 5.6804 6.9701 6.9701 7.1750 7.1750 7.5746 7.5746 7.5800 7.5800 7.9359 7.9359 8.3195 8.3195 8.8474 8.8474 8.8828 8.8828 9.0443 9.0443 9.1936 9.1936 9.3527 9.3527 13.4119 13.4119 13.4951 13.4951 14.7430 14.7430 15.3800 15.3800 15.4896 15.4896 15.5034 15.5034 k = 0.4524 0.2612 0.1847 ( 2911 PWs) bands (ev): -36.2795 -36.2795 -15.2759 -15.2759 -14.7768 -14.7768 -14.7680 -14.7680 5.7374 5.7374 6.9533 6.9533 7.1798 7.1798 7.5815 7.5815 7.5887 7.5887 7.9196 7.9196 8.2939 8.2939 8.8584 8.8584 8.8816 8.8816 9.0175 9.0175 9.1795 9.1795 9.3328 9.3328 13.4147 13.4147 13.4913 13.4913 14.7379 14.7379 15.3480 15.3480 15.5223 15.5223 15.5293 15.5293 k = 0.4643 0.2681 0.1895 ( 2905 PWs) bands (ev): -36.2795 -36.2795 -15.2759 -15.2759 -14.7769 -14.7769 -14.7680 -14.7680 5.7851 5.7851 6.9370 6.9370 7.1835 7.1835 7.5868 7.5868 7.5951 7.5951 7.9063 7.9063 8.2747 8.2747 8.8716 8.8716 8.8809 8.8809 8.9926 8.9926 9.1682 9.1682 9.3170 9.3170 13.4167 13.4167 13.4884 13.4884 14.7342 14.7342 15.3228 15.3228 15.5503 15.5503 15.5506 15.5506 k = 0.4762 0.2749 0.1944 ( 2905 PWs) bands (ev): -36.2795 -36.2795 -15.2759 -15.2759 -14.7769 -14.7769 -14.7680 -14.7680 5.8215 5.8215 6.9231 6.9231 7.1862 7.1862 7.5907 7.5907 7.5993 7.5993 7.8967 7.8967 8.2612 8.2612 8.8804 8.8804 8.8865 8.8865 8.9697 8.9697 9.1601 9.1601 9.3054 9.3054 13.4181 13.4181 13.4862 13.4862 14.7316 14.7316 15.3047 15.3047 15.5665 15.5665 15.5718 15.5718 k = 0.4881 0.2818 0.1993 ( 2905 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7770 -14.7770 -14.7680 -14.7680 5.8444 5.8444 6.9136 6.9136 7.1878 7.1878 7.5930 7.5930 7.6017 7.6017 7.8911 7.8911 8.2532 8.2532 8.8801 8.8801 8.9021 8.9021 8.9494 8.9494 9.1551 9.1551 9.2983 9.2983 13.4189 13.4189 13.4848 13.4848 14.7302 14.7302 15.2937 15.2937 15.5763 15.5763 15.5855 15.5855 k = 0.5000 0.2887 0.2041 ( 2914 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7770 -14.7770 -14.7680 -14.7680 5.8522 5.8522 6.9103 6.9103 7.1884 7.1884 7.5938 7.5938 7.6024 7.6024 7.8892 7.8892 8.2505 8.2505 8.8800 8.8800 8.9120 8.9120 8.9380 8.9380 9.1534 9.1534 9.2959 9.2959 13.4192 13.4192 13.4844 13.4844 14.7297 14.7297 15.2901 15.2901 15.5796 15.5796 15.5902 15.5902 k = 0.5000 0.2887 0.2041 ( 2914 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7770 -14.7770 -14.7680 -14.7680 5.8522 5.8522 6.9103 6.9103 7.1884 7.1884 7.5938 7.5938 7.6024 7.6024 7.8892 7.8892 8.2505 8.2505 8.8800 8.8800 8.9120 8.9120 8.9380 8.9380 9.1534 9.1534 9.2959 9.2959 13.4192 13.4192 13.4844 13.4844 14.7297 14.7297 15.2901 15.2901 15.5796 15.5796 15.5902 15.5902 k = 0.5042 0.2766 0.2109 ( 2907 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7770 -14.7770 -14.7680 -14.7680 5.8526 5.8526 6.9105 6.9105 7.1885 7.1885 7.5841 7.5841 7.6119 7.6119 7.8892 7.8892 8.2507 8.2507 8.8776 8.8776 8.9071 8.9071 8.9462 8.9462 9.1542 9.1542 9.2972 9.2972 13.4128 13.4128 13.4775 13.4775 14.7402 14.7402 15.2864 15.2864 15.5799 15.5799 15.5904 15.5904 k = 0.5083 0.2646 0.2177 ( 2899 PWs) bands (ev): -36.2795 -36.2795 -15.2759 -15.2759 -14.7769 -14.7769 -14.7680 -14.7680 5.8538 5.8538 6.9112 6.9112 7.1888 7.1888 7.5710 7.5710 7.6245 7.6245 7.8892 7.8892 8.2513 8.2513 8.8697 8.8697 8.9019 8.9019 8.9620 8.9620 9.1567 9.1567 9.3012 9.3012 13.3893 13.3893 13.4623 13.4623 14.7698 14.7698 15.2754 15.2754 15.5785 15.5785 15.5934 15.5934 k = 0.5125 0.2526 0.2245 ( 2899 PWs) bands (ev): -36.2795 -36.2795 -15.2759 -15.2759 -14.7769 -14.7769 -14.7681 -14.7681 5.8558 5.8558 6.9124 6.9124 7.1893 7.1893 7.5575 7.5575 7.6369 7.6369 7.8892 7.8892 8.2522 8.2522 8.8577 8.8577 8.9006 8.9006 8.9798 8.9798 9.1608 9.1608 9.3077 9.3077 13.3428 13.3428 13.4481 13.4481 14.8140 14.8140 15.2568 15.2568 15.5733 15.5733 15.6031 15.6031 k = 0.5167 0.2406 0.2313 ( 2899 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7769 -14.7769 -14.7681 -14.7681 5.8585 5.8585 6.9139 6.9139 7.1899 7.1899 7.5439 7.5439 7.6490 7.6490 7.8895 7.8895 8.2535 8.2535 8.8441 8.8441 8.9019 8.9019 8.9981 8.9981 9.1668 9.1668 9.3168 9.3168 13.2765 13.2765 13.4357 13.4357 14.8660 14.8660 15.2311 15.2311 15.5650 15.5650 15.6206 15.6206 k = 0.5208 0.2285 0.2381 ( 2898 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7769 -14.7769 -14.7682 -14.7682 5.8621 5.8621 6.9156 6.9156 7.1905 7.1905 7.5303 7.5303 7.6608 7.6608 7.8901 7.8901 8.2551 8.2551 8.8304 8.8304 8.9048 8.9048 9.0163 9.0163 9.1745 9.1745 9.3285 9.3285 13.1966 13.1966 13.4232 13.4232 14.9169 14.9169 15.2013 15.2013 15.5542 15.5542 15.6475 15.6475 k = 0.5250 0.2165 0.2449 ( 2898 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7768 -14.7768 -14.7683 -14.7683 5.8665 5.8665 6.9176 6.9176 7.1910 7.1910 7.5168 7.5168 7.6719 7.6719 7.8914 7.8914 8.2571 8.2571 8.8172 8.8172 8.9092 8.9092 9.0341 9.0341 9.1842 9.1842 9.3427 9.3427 13.1071 13.1071 13.4092 13.4092 14.9532 14.9532 15.1757 15.1757 15.5415 15.5415 15.6858 15.6858 k = 0.5292 0.2045 0.2518 ( 2896 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7768 -14.7768 -14.7684 -14.7684 5.8717 5.8717 6.9197 6.9197 7.1912 7.1912 7.5036 7.5036 7.6824 7.6824 7.8937 7.8937 8.2595 8.2595 8.8046 8.8046 8.9149 8.9149 9.0510 9.0510 9.1959 9.1959 9.3595 9.3595 13.0109 13.0109 13.3935 13.3935 14.9552 14.9552 15.1703 15.1703 15.5271 15.5271 15.7369 15.7369 k = 0.5333 0.1925 0.2586 ( 2897 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7767 -14.7767 -14.7685 -14.7685 5.8776 5.8776 6.9217 6.9217 7.1908 7.1908 7.4907 7.4907 7.6921 7.6921 7.8972 7.8972 8.2621 8.2621 8.7929 8.7929 8.9219 8.9219 9.0669 9.0669 9.2094 9.2094 9.3786 9.3786 12.9099 12.9099 13.3757 13.3757 14.9166 14.9166 15.1894 15.1894 15.5113 15.5113 15.8012 15.8012 k = 0.5375 0.1804 0.2654 ( 2896 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7767 -14.7767 -14.7687 -14.7687 5.8844 5.8844 6.9236 6.9236 7.1897 7.1897 7.4784 7.4784 7.7006 7.7006 7.9025 7.9025 8.2652 8.2652 8.7819 8.7819 8.9304 8.9304 9.0820 9.0820 9.2244 9.2244 9.4003 9.4003 12.8055 12.8055 13.3559 13.3559 14.8521 14.8521 15.2187 15.2187 15.4946 15.4946 15.8771 15.8771 k = 0.5417 0.1684 0.2722 ( 2890 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7766 -14.7766 -14.7688 -14.7688 5.8920 5.8920 6.9253 6.9253 7.1875 7.1875 7.4669 7.4669 7.7079 7.7079 7.9098 7.9098 8.2686 8.2686 8.7719 8.7719 8.9402 8.9402 9.0963 9.0963 9.2408 9.2408 9.4242 9.4242 12.6985 12.6985 13.3340 13.3340 14.7734 14.7734 15.2480 15.2480 15.4772 15.4772 15.9613 15.9613 k = 0.5458 0.1564 0.2790 ( 2898 PWs) bands (ev): -36.2795 -36.2795 -15.2761 -15.2761 -14.7766 -14.7766 -14.7690 -14.7690 5.9004 5.9004 6.9268 6.9268 7.1840 7.1840 7.4562 7.4562 7.7137 7.7137 7.9194 7.9194 8.2723 8.2723 8.7628 8.7628 8.9515 8.9515 9.1100 9.1100 9.2582 9.2582 9.4505 9.4505 12.5895 12.5895 13.3100 13.3100 14.6861 14.6861 15.2744 15.2744 15.4596 15.4596 16.0457 16.0457 k = 0.5500 0.1443 0.2858 ( 2898 PWs) bands (ev): -36.2795 -36.2795 -15.2761 -15.2761 -14.7765 -14.7765 -14.7691 -14.7691 5.9095 5.9095 6.9278 6.9278 7.1790 7.1790 7.4467 7.4467 7.7180 7.7180 7.9316 7.9316 8.2764 8.2764 8.7546 8.7546 8.9641 8.9641 9.1234 9.1234 9.2761 9.2761 9.4790 9.4790 12.4790 12.4790 13.2841 13.2841 14.5936 14.5936 15.2973 15.2973 15.4425 15.4425 16.1059 16.1059 k = 0.5542 0.1323 0.2926 ( 2900 PWs) bands (ev): -36.2795 -36.2795 -15.2761 -15.2761 -14.7764 -14.7764 -14.7693 -14.7693 5.9193 5.9193 6.9285 6.9285 7.1723 7.1723 7.4384 7.4384 7.7208 7.7208 7.9463 7.9463 8.2809 8.2809 8.7474 8.7474 8.9780 8.9780 9.1369 9.1369 9.2944 9.2944 9.5094 9.5094 12.3675 12.3675 13.2562 13.2562 14.4980 14.4980 15.3168 15.3168 15.4266 15.4266 16.1105 16.1105 k = 0.5583 0.1203 0.2994 ( 2898 PWs) bands (ev): -36.2794 -36.2794 -15.2761 -15.2761 -14.7764 -14.7764 -14.7695 -14.7695 5.9298 5.9298 6.9287 6.9287 7.1638 7.1638 7.4313 7.4313 7.7223 7.7223 7.9634 7.9634 8.2858 8.2858 8.7411 8.7411 8.9932 8.9932 9.1506 9.1506 9.3129 9.3129 9.5415 9.5415 12.2552 12.2552 13.2265 13.2265 14.4011 14.4011 15.3322 15.3322 15.4134 15.4134 16.0858 16.0858 k = 0.5625 0.1083 0.3062 ( 2902 PWs) bands (ev): -36.2794 -36.2794 -15.2761 -15.2761 -14.7763 -14.7763 -14.7697 -14.7697 5.9409 5.9409 6.9283 6.9283 7.1535 7.1535 7.4255 7.4255 7.7226 7.7226 7.9827 7.9827 8.2911 8.2911 8.7358 8.7358 9.0096 9.0096 9.1647 9.1647 9.3315 9.3315 9.5751 9.5751 12.1424 12.1424 13.1951 13.1951 14.3043 14.3043 15.3415 15.3415 15.4057 15.4057 16.0537 16.0537 k = 0.5667 0.0962 0.3130 ( 2906 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7763 -14.7763 -14.7699 -14.7699 5.9526 5.9526 6.9274 6.9274 7.1416 7.1416 7.4209 7.4209 7.7220 7.7220 8.0038 8.0038 8.2967 8.2967 8.7315 8.7315 9.0270 9.0270 9.1793 9.1793 9.3503 9.3503 9.6100 9.6100 12.0295 12.0295 13.1621 13.1621 14.2087 14.2087 15.3423 15.3423 15.4068 15.4068 16.0194 16.0194 k = 0.5708 0.0842 0.3198 ( 2905 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7762 -14.7762 -14.7700 -14.7700 5.9648 5.9648 6.9258 6.9258 7.1283 7.1283 7.4174 7.4174 7.7207 7.7207 8.0264 8.0264 8.3027 8.3027 8.7282 8.7282 9.0455 9.0455 9.1946 9.1946 9.3693 9.3693 9.6456 9.6456 11.9168 11.9168 13.1276 13.1276 14.1153 14.1153 15.3360 15.3360 15.4155 15.4155 15.9839 15.9839 k = 0.5750 0.0722 0.3266 ( 2905 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7761 -14.7761 -14.7702 -14.7702 5.9774 5.9774 6.9234 6.9234 7.1138 7.1138 7.4147 7.4147 7.7190 7.7190 8.0499 8.0499 8.3090 8.3090 8.7259 8.7259 9.0648 9.0648 9.2107 9.2107 9.3886 9.3886 9.6818 9.6818 11.8048 11.8048 13.0919 13.0919 14.0249 14.0249 15.3269 15.3269 15.4281 15.4281 15.9464 15.9464 k = 0.5792 0.0601 0.3334 ( 2905 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7761 -14.7761 -14.7704 -14.7704 5.9902 5.9902 6.9200 6.9200 7.0987 7.0987 7.4128 7.4128 7.7171 7.7171 8.0741 8.0741 8.3155 8.3155 8.7246 8.7246 9.0850 9.0850 9.2274 9.2274 9.4087 9.4087 9.7179 9.7179 11.6939 11.6939 13.0550 13.0550 13.9381 13.9381 15.3177 15.3177 15.4420 15.4420 15.9048 15.9048 k = 0.5833 0.0481 0.3402 ( 2917 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7760 -14.7760 -14.7706 -14.7706 6.0032 6.0032 6.9155 6.9155 7.0832 7.0832 7.4113 7.4113 7.7151 7.7151 8.0984 8.0984 8.3222 8.3222 8.7242 8.7242 9.1058 9.1058 9.2449 9.2449 9.4297 9.4297 9.7535 9.7535 11.5850 11.5850 13.0171 13.0171 13.8553 13.8553 15.3094 15.3094 15.4564 15.4564 15.8570 15.8570 k = 0.5875 0.0361 0.3470 ( 2903 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7760 -14.7760 -14.7707 -14.7707 6.0163 6.0163 6.9096 6.9096 7.0680 7.0680 7.4104 7.4104 7.7133 7.7133 8.1225 8.1225 8.3289 8.3289 8.7248 8.7248 9.1271 9.1271 9.2630 9.2630 9.4521 9.4521 9.7879 9.7879 11.4789 11.4789 12.9784 12.9784 13.7769 13.7769 15.3026 15.3026 15.4708 15.4708 15.8039 15.8039 k = 0.5917 0.0241 0.3538 ( 2905 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7759 -14.7759 -14.7708 -14.7708 6.0292 6.0292 6.9020 6.9020 7.0534 7.0534 7.4096 7.4096 7.7119 7.7119 8.1461 8.1461 8.3355 8.3355 8.7261 8.7261 9.1488 9.1488 9.2816 9.2816 9.4762 9.4762 9.8202 9.8202 11.3768 11.3768 12.9390 12.9390 13.7030 13.7030 15.2976 15.2976 15.4845 15.4845 15.7485 15.7485 k = 0.5958 0.0120 0.3606 ( 2906 PWs) bands (ev): -36.2793 -36.2793 -15.2763 -15.2763 -14.7759 -14.7759 -14.7709 -14.7709 6.0418 6.0418 6.8925 6.8925 7.0401 7.0401 7.4090 7.4090 7.7110 7.7110 8.1688 8.1688 8.3418 8.3418 8.7281 8.7281 9.1704 9.1704 9.3009 9.3009 9.5026 9.5026 9.8496 9.8496 11.2798 11.2798 12.8990 12.8990 13.6338 13.6338 15.2945 15.2945 15.4971 15.4971 15.6927 15.6927 k = 0.6000 0.0000 0.3674 ( 2906 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7710 -14.7710 6.0539 6.0539 6.8807 6.8807 7.0284 7.0284 7.4086 7.4086 7.7107 7.7107 8.1905 8.1905 8.3477 8.3477 8.7307 8.7307 9.1917 9.1917 9.3206 9.3206 9.5317 9.5317 9.8747 9.8747 11.1898 11.1898 12.8587 12.8587 13.5693 13.5693 15.2936 15.2936 15.5079 15.5079 15.6378 15.6378 k = 0.6042-0.0120 0.3742 ( 2904 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7711 -14.7711 6.0653 6.0653 6.8665 6.8665 7.0186 7.0186 7.4081 7.4081 7.7111 7.7111 8.2110 8.2110 8.3530 8.3530 8.7336 8.7336 9.2123 9.2123 9.3411 9.3411 9.5636 9.5636 9.8941 9.8941 11.1087 11.1087 12.8182 12.8182 13.5095 13.5095 15.2948 15.2948 15.5154 15.5154 15.5848 15.5848 k = 0.6083-0.0241 0.3810 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7758 -14.7758 -14.7712 -14.7712 6.0758 6.0758 6.8501 6.8501 7.0108 7.0108 7.4075 7.4075 7.7124 7.7124 8.2302 8.2302 8.3577 8.3577 8.7366 8.7366 9.2318 9.2318 9.3624 9.3624 9.5986 9.5986 9.9061 9.9061 11.0388 11.0388 12.7775 12.7775 13.4542 13.4542 15.2983 15.2983 15.5116 15.5116 15.5416 15.5416 k = 0.6125-0.0361 0.3878 ( 2892 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7758 -14.7758 -14.7712 -14.7712 6.0850 6.0850 6.8316 6.8316 7.0050 7.0050 7.4068 7.4068 7.7146 7.7146 8.2480 8.2480 8.3614 8.3614 8.7396 8.7396 9.2498 9.2498 9.3846 9.3846 9.6363 9.6363 9.9096 9.9096 10.9824 10.9824 12.7370 12.7370 13.4032 13.4032 15.3040 15.3040 15.4723 15.4723 15.5320 15.5320 k = 0.6167-0.0481 0.3946 ( 2890 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.0928 6.0928 6.8113 6.8113 7.0012 7.0012 7.4059 7.4059 7.7177 7.7177 8.2644 8.2644 8.3643 8.3643 8.7422 8.7422 9.2661 9.2661 9.4080 9.4080 9.6760 9.6760 9.9039 9.9039 10.9412 10.9412 12.6966 12.6966 13.3563 13.3563 15.3120 15.3120 15.4241 15.4241 15.5297 15.5297 k = 0.6208-0.0601 0.4014 ( 2890 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.0988 6.0988 6.7895 6.7895 6.9993 6.9993 7.4048 7.4048 7.7218 7.7218 8.2794 8.2794 8.3663 8.3663 8.7443 8.7443 9.2805 9.2805 9.4325 9.4325 9.7149 9.7149 9.8916 9.8916 10.9164 10.9164 12.6565 12.6565 13.3134 13.3134 15.3221 15.3221 15.3765 15.3765 15.5258 15.5258 k = 0.6250-0.0722 0.4082 ( 2882 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.1026 6.1026 6.7665 6.7665 6.9991 6.9991 7.4034 7.4034 7.7268 7.7268 8.2929 8.2929 8.3675 8.3675 8.7458 8.7458 9.2929 9.2929 9.4580 9.4580 9.7446 9.7446 9.8815 9.8815 10.9077 10.9077 12.6169 12.6169 13.2740 13.2740 15.3288 15.3288 15.3362 15.3362 15.5206 15.5206 k = 0.6250-0.0722 0.4082 ( 2882 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.1026 6.1026 6.7665 6.7665 6.9991 6.9991 7.4034 7.4034 7.7268 7.7268 8.2929 8.2929 8.3675 8.3675 8.7458 8.7458 9.2929 9.2929 9.4580 9.4580 9.7446 9.7446 9.8815 9.8815 10.9077 10.9077 12.6169 12.6169 13.2740 13.2740 15.3288 15.3288 15.3362 15.3362 15.5206 15.5206 k = 0.6176-0.0679 0.4203 ( 2888 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.1032 6.1032 6.7665 6.7665 6.9991 6.9991 7.4030 7.4030 7.7272 7.7272 8.2856 8.2856 8.3753 8.3753 8.7459 8.7459 9.2930 9.2930 9.4515 9.4515 9.7498 9.7498 9.8855 9.8855 10.9077 10.9077 12.5907 12.5907 13.2974 13.2974 15.3250 15.3250 15.3311 15.3311 15.5255 15.5255 k = 0.6103-0.0637 0.4323 ( 2888 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7713 -14.7713 6.1049 6.1049 6.7666 6.7666 6.9990 6.9990 7.4020 7.4020 7.7282 7.7282 8.2691 8.2691 8.3933 8.3933 8.7462 8.7462 9.2930 9.2930 9.4339 9.4339 9.7632 9.7632 9.8979 9.8979 10.9078 10.9078 12.5210 12.5210 13.3586 13.3586 15.3066 15.3066 15.3248 15.3248 15.5383 15.5383 k = 0.6029-0.0594 0.4443 ( 2897 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7713 -14.7713 6.1078 6.1078 6.7667 6.7667 6.9988 6.9988 7.4002 7.4002 7.7300 7.7300 8.2493 8.2493 8.4153 8.4153 8.7468 8.7468 9.2931 9.2931 9.4087 9.4087 9.7810 9.7810 9.9190 9.9190 10.9079 10.9079 12.4240 12.4240 13.4416 13.4416 15.2776 15.2776 15.3175 15.3175 15.5552 15.5552 k = 0.5956-0.0552 0.4563 ( 2897 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7714 -14.7714 6.1117 6.1117 6.7668 6.7668 6.9984 6.9984 7.3978 7.3978 7.7330 7.7330 8.2286 8.2286 8.4387 8.4387 8.7475 8.7475 9.2929 9.2929 9.3796 9.3796 9.8001 9.8001 9.9485 9.9485 10.9081 10.9081 12.3114 12.3114 13.5349 13.5349 15.2423 15.2423 15.3084 15.3084 15.5734 15.5734 k = 0.5882-0.0509 0.4683 ( 2891 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7758 -14.7758 -14.7714 -14.7714 6.1166 6.1166 6.7671 6.7671 6.9979 6.9979 7.3946 7.3946 7.7373 7.7373 8.2077 8.2077 8.4622 8.4622 8.7483 8.7483 9.2921 9.2921 9.3496 9.3496 9.8196 9.8196 9.9851 9.9851 10.9084 10.9084 12.1900 12.1900 13.6321 13.6321 15.2028 15.2028 15.2981 15.2981 15.5913 15.5913 k = 0.5809-0.0467 0.4803 ( 2889 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7758 -14.7758 -14.7714 -14.7714 6.1223 6.1223 6.7676 6.7676 6.9970 6.9970 7.3908 7.3908 7.7432 7.7432 8.1868 8.1868 8.4853 8.4853 8.7491 8.7491 9.2890 9.2890 9.3218 9.3218 9.8398 9.8398 10.0270 10.0270 10.9087 10.9087 12.0635 12.0635 13.7297 13.7297 15.1599 15.1599 15.2872 15.2872 15.6081 15.6081 k = 0.5735-0.0425 0.4923 ( 2897 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7757 -14.7757 -14.7715 -14.7715 6.1287 6.1287 6.7683 6.7683 6.9957 6.9957 7.3864 7.3864 7.7510 7.7510 8.1659 8.1659 8.5074 8.5074 8.7498 8.7498 9.2762 9.2762 9.3046 9.3046 9.8615 9.8615 10.0724 10.0724 10.9090 10.9090 11.9344 11.9344 13.8258 13.8258 15.1145 15.1145 15.2763 15.2763 15.6232 15.6232 k = 0.5662-0.0382 0.5043 ( 2904 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7757 -14.7757 -14.7716 -14.7716 6.1357 6.1357 6.7691 6.7691 6.9941 6.9941 7.3816 7.3816 7.7607 7.7607 8.1449 8.1449 8.5282 8.5282 8.7504 8.7504 9.2530 9.2530 9.2996 9.2996 9.8852 9.8852 10.1200 10.1200 10.9095 10.9095 11.8045 11.8045 13.9192 13.9192 15.0670 15.0670 15.2660 15.2660 15.6365 15.6365 k = 0.5588-0.0340 0.5163 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7756 -14.7756 -14.7717 -14.7717 6.1431 6.1431 6.7703 6.7703 6.9920 6.9920 7.3765 7.3765 7.7726 7.7726 8.1237 8.1237 8.5473 8.5473 8.7507 8.7507 9.2290 9.2290 9.2976 9.2976 9.9114 9.9114 10.1687 10.1687 10.9100 10.9100 11.6753 11.6753 14.0094 14.0094 15.0178 15.0178 15.2568 15.2568 15.6479 15.6479 k = 0.5515-0.0297 0.5283 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7756 -14.7756 -14.7718 -14.7718 6.1506 6.1506 6.7717 6.7717 6.9896 6.9896 7.3714 7.3714 7.7864 7.7864 8.1021 8.1021 8.5645 8.5645 8.7506 8.7506 9.2071 9.2071 9.2962 9.2962 9.9401 9.9401 10.2174 10.2174 10.9106 10.9106 11.5483 11.5483 14.0958 14.0958 14.9672 14.9672 15.2490 15.2490 15.6574 15.6574 k = 0.5441-0.0255 0.5403 ( 2897 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7755 -14.7755 -14.7718 -14.7718 6.1580 6.1580 6.7734 6.7734 6.9869 6.9869 7.3665 7.3665 7.8022 7.8022 8.0802 8.0802 8.5796 8.5796 8.7501 8.7501 9.1882 9.1882 9.2947 9.2947 9.9714 9.9714 10.2652 10.2652 10.9112 10.9112 11.4253 11.4253 14.1782 14.1782 14.9153 14.9153 15.2429 15.2429 15.6652 15.6652 k = 0.5368-0.0212 0.5523 ( 2895 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7755 -14.7755 -14.7719 -14.7719 6.1650 6.1650 6.7752 6.7752 6.9840 6.9840 7.3621 7.3621 7.8197 7.8197 8.0578 8.0578 8.5927 8.5927 8.7492 8.7492 9.1725 9.1725 9.2931 9.2931 10.0049 10.0049 10.3106 10.3106 10.9117 10.9117 11.3085 11.3085 14.2564 14.2564 14.8625 14.8625 15.2384 15.2384 15.6712 15.6712 k = 0.5294-0.0170 0.5643 ( 2894 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7754 -14.7754 -14.7720 -14.7720 6.1715 6.1715 6.7771 6.7771 6.9812 6.9812 7.3582 7.3582 7.8386 7.8386 8.0352 8.0352 8.6035 8.6035 8.7479 8.7479 9.1601 9.1601 9.2914 9.2914 10.0399 10.0399 10.3515 10.3515 10.9118 10.9118 11.2013 11.2013 14.3304 14.3304 14.8088 14.8088 15.2357 15.2357 15.6756 15.6756 k = 0.5221-0.0127 0.5764 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7754 -14.7754 -14.7720 -14.7720 6.1769 6.1769 6.7789 6.7789 6.9786 6.9786 7.3550 7.3550 7.8584 7.8584 8.0126 8.0126 8.6121 8.6121 8.7464 8.7464 9.1508 9.1508 9.2896 9.2896 10.0753 10.0753 10.3849 10.3849 10.9108 10.9108 11.1089 11.1089 14.4002 14.4002 14.7544 14.7544 15.2344 15.2344 15.6786 15.6786 k = 0.5147-0.0085 0.5884 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7753 -14.7753 -14.7721 -14.7721 6.1812 6.1812 6.7805 6.7805 6.9764 6.9764 7.3527 7.3527 7.8784 7.8784 7.9907 7.9907 8.6184 8.6184 8.7449 8.7449 9.1446 9.1446 9.2881 9.2881 10.1085 10.1085 10.4071 10.4071 10.9075 10.9075 11.0390 11.0390 14.4657 14.4657 14.6996 14.6996 15.2342 15.2342 15.6804 15.6804 k = 0.5074-0.0042 0.6004 ( 2892 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7753 -14.7753 -14.7721 -14.7721 6.1840 6.1840 6.7817 6.7817 6.9749 6.9749 7.3512 7.3512 7.8962 7.8962 7.9718 7.9718 8.6223 8.6223 8.7438 8.7438 9.1411 9.1411 9.2870 9.2870 10.1352 10.1352 10.4158 10.4158 10.9013 10.9013 10.9990 10.9990 14.5267 14.5267 14.6448 14.6448 15.2346 15.2346 15.6813 15.6813 k = 0.5000 0.0000 0.6124 ( 2872 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7752 -14.7752 -14.7720 -14.7720 6.1850 6.1850 6.7822 6.7822 6.9744 6.9744 7.3508 7.3508 7.9048 7.9048 7.9629 7.9629 8.6236 8.6236 8.7434 8.7434 9.1400 9.1400 9.2866 9.2866 10.1467 10.1467 10.4158 10.4158 10.8976 10.8976 10.9877 10.9877 14.5723 14.5723 14.6013 14.6013 15.2349 15.2349 15.6816 15.6816 k = 0.5000 0.0000 0.6124 ( 2872 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7752 -14.7752 -14.7720 -14.7720 6.1850 6.1850 6.7822 6.7822 6.9744 6.9744 7.3508 7.3508 7.9048 7.9048 7.9629 7.9629 8.6236 8.6236 8.7434 8.7434 9.1400 9.1400 9.2866 9.2866 10.1467 10.1467 10.4158 10.4158 10.8976 10.8976 10.9877 10.9877 14.5723 14.5723 14.6013 14.6013 15.2349 15.2349 15.6816 15.6816 k = 0.5000 0.0085 0.6004 ( 2894 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7753 -14.7753 -14.7721 -14.7721 6.1836 6.1836 6.7834 6.7834 6.9750 6.9750 7.3509 7.3509 7.9033 7.9033 7.9640 7.9640 8.6220 8.6220 8.7432 8.7432 9.1395 9.1395 9.2859 9.2859 10.1401 10.1401 10.4017 10.4017 10.9052 10.9052 11.0066 11.0066 14.5723 14.5723 14.6015 14.6015 15.2373 15.2373 15.6820 15.6820 k = 0.5000 0.0170 0.5884 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7753 -14.7753 -14.7721 -14.7721 6.1795 6.1795 6.7870 6.7870 6.9769 6.9769 7.3514 7.3514 7.8993 7.8993 7.9673 7.9673 8.6171 8.6171 8.7425 8.7425 9.1383 9.1383 9.2840 9.2840 10.1209 10.1209 10.3645 10.3645 10.9272 10.9272 11.0585 11.0585 14.5717 14.5717 14.6032 14.6032 15.2443 15.2443 15.6833 15.6833 k = 0.5000 0.0255 0.5764 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7754 -14.7754 -14.7721 -14.7721 6.1730 6.1730 6.7928 6.7928 6.9801 6.9801 7.3521 7.3521 7.8934 7.8934 7.9718 7.9718 8.6091 8.6091 8.7413 8.7413 9.1362 9.1362 9.2809 9.2809 10.0911 10.0911 10.3135 10.3135 10.9617 10.9617 11.1340 11.1340 14.5687 14.5687 14.6081 14.6081 15.2557 15.2557 15.6855 15.6855 k = 0.5000 0.0340 0.5643 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7754 -14.7754 -14.7720 -14.7720 6.1642 6.1642 6.8004 6.8004 6.9847 6.9847 7.3531 7.3531 7.8862 7.8862 7.9771 7.9771 8.5978 8.5978 8.7399 8.7399 9.1333 9.1333 9.2766 9.2766 10.0531 10.0531 10.2563 10.2563 11.0065 11.0065 11.2250 11.2250 14.5629 14.5629 14.6174 14.6174 15.2708 15.2708 15.6889 15.6889 k = 0.5000 0.0425 0.5523 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7754 -14.7754 -14.7719 -14.7719 6.1534 6.1534 6.8095 6.8095 6.9906 6.9906 7.3545 7.3545 7.8782 7.8782 7.9825 7.9825 8.5836 8.5836 8.7383 8.7383 9.1296 9.1296 9.2712 9.2712 10.0092 10.0092 10.1975 10.1975 11.0595 11.0595 11.3266 11.3266 14.5547 14.5547 14.6306 14.6306 15.2891 15.2891 15.6935 15.6935 k = 0.5000 0.0509 0.5403 ( 2910 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7755 -14.7755 -14.7719 -14.7719 6.1409 6.1409 6.8197 6.8197 6.9978 6.9978 7.3561 7.3561 7.8696 7.8696 7.9877 7.9877 8.5666 8.5666 8.7366 8.7366 9.1251 9.1251 9.2646 9.2646 9.9615 9.9615 10.1393 10.1393 11.1190 11.1190 11.4355 11.4355 14.5454 14.5454 14.6473 14.6473 15.3097 15.3097 15.6997 15.6997 k = 0.5000 0.0594 0.5283 ( 2904 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7755 -14.7755 -14.7717 -14.7717 6.1272 6.1272 6.8305 6.8305 7.0065 7.0065 7.3580 7.3580 7.8607 7.8607 7.9925 7.9925 8.5472 8.5472 8.7348 8.7348 9.1199 9.1199 9.2571 9.2571 9.9118 9.9118 10.0829 10.0829 11.1838 11.1838 11.5499 11.5499 14.5355 14.5355 14.6672 14.6672 15.3318 15.3318 15.7077 15.7077 k = 0.5000 0.0679 0.5163 ( 2906 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7755 -14.7755 -14.7716 -14.7716 6.1124 6.1124 6.8416 6.8416 7.0165 7.0165 7.3603 7.3603 7.8515 7.8515 7.9967 7.9967 8.5257 8.5257 8.7331 8.7331 9.1138 9.1138 9.2486 9.2486 9.8614 9.8614 10.0287 10.0287 11.2529 11.2529 11.6683 11.6683 14.5260 14.5260 14.6898 14.6898 15.3547 15.3547 15.7180 15.7180 k = 0.5000 0.0764 0.5043 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7756 -14.7756 -14.7715 -14.7715 6.0969 6.0969 6.8525 6.8525 7.0277 7.0277 7.3629 7.3629 7.8421 7.8421 8.0000 8.0000 8.5026 8.5026 8.7316 8.7316 9.1070 9.1070 9.2394 9.2394 9.8113 9.8113 9.9768 9.9768 11.3257 11.3257 11.7895 11.7895 14.5173 14.5173 14.7149 14.7149 15.3775 15.3775 15.7310 15.7310 k = 0.5000 0.0849 0.4923 ( 2904 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7756 -14.7756 -14.7714 -14.7714 6.0810 6.0810 6.8630 6.8630 7.0401 7.0401 7.3657 7.3657 7.8327 7.8327 8.0022 8.0022 8.4785 8.4785 8.7303 8.7303 9.0994 9.0994 9.2297 9.2297 9.7623 9.7623 9.9272 9.9272 11.4018 11.4018 11.9127 11.9127 14.5102 14.5102 14.7421 14.7421 15.3993 15.3993 15.7470 15.7470 k = 0.5000 0.0934 0.4803 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2763 -15.2763 -14.7757 -14.7757 -14.7712 -14.7712 6.0649 6.0649 6.8730 6.8730 7.0534 7.0534 7.3690 7.3690 7.8232 7.8232 8.0031 8.0031 8.4540 8.4540 8.7292 8.7292 9.0909 9.0909 9.2195 9.2195 9.7148 9.7148 9.8797 9.8797 11.4808 11.4808 12.0369 12.0369 14.5052 14.5052 14.7712 14.7712 15.4196 15.4196 15.7665 15.7665 k = 0.5000 0.1019 0.4683 ( 2894 PWs) bands (ev): -36.2793 -36.2793 -15.2763 -15.2763 -14.7757 -14.7757 -14.7710 -14.7710 6.0487 6.0487 6.8822 6.8822 7.0675 7.0675 7.3726 7.3726 7.8139 7.8139 8.0026 8.0026 8.4298 8.4298 8.7285 8.7285 9.0815 9.0815 9.2091 9.2091 9.6689 9.6689 9.8342 9.8342 11.5624 11.5624 12.1612 12.1612 14.5029 14.5029 14.8018 14.8018 15.4378 15.4378 15.7895 15.7895 k = 0.5000 0.1104 0.4563 ( 2894 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7758 -14.7758 -14.7708 -14.7708 6.0327 6.0327 6.8905 6.8905 7.0819 7.0819 7.3766 7.3766 7.8046 7.8046 8.0004 8.0004 8.4063 8.4063 8.7282 8.7282 9.0713 9.0713 9.1986 9.1986 9.6249 9.6249 9.7908 9.7908 11.6466 11.6466 12.2846 12.2846 14.5040 14.5040 14.8334 14.8334 15.4537 15.4537 15.8162 15.8162 k = 0.5000 0.1189 0.4443 ( 2896 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7759 -14.7759 -14.7707 -14.7707 6.0169 6.0169 6.8980 6.8980 7.0964 7.0964 7.3810 7.3810 7.7955 7.7955 7.9964 7.9964 8.3843 8.3843 8.7285 8.7285 9.0603 9.0603 9.1883 9.1883 9.5828 9.5828 9.7492 9.7492 11.7332 11.7332 12.4061 12.4061 14.5092 14.5092 14.8657 14.8657 15.4672 15.4672 15.8461 15.8461 k = 0.5000 0.1274 0.4323 ( 2908 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7760 -14.7760 -14.7705 -14.7705 6.0016 6.0016 6.9046 6.9046 7.1106 7.1106 7.3859 7.3859 7.7866 7.7866 7.9906 7.9906 8.3640 8.3640 8.7293 8.7293 9.0485 9.0485 9.1782 9.1782 9.5424 9.5424 9.7094 9.7094 11.8220 11.8220 12.5245 12.5245 14.5192 14.5192 14.8981 14.8981 15.4785 15.4785 15.8790 15.8790 k = 0.5000 0.1358 0.4203 ( 2912 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7761 -14.7761 -14.7703 -14.7703 5.9867 5.9867 6.9103 6.9103 7.1243 7.1243 7.3914 7.3914 7.7780 7.7780 7.9832 7.9832 8.3458 8.3458 8.7307 8.7307 9.0360 9.0360 9.1684 9.1684 9.5038 9.5038 9.6714 9.6714 11.9130 11.9130 12.6388 12.6388 14.5346 14.5346 14.9302 14.9302 15.4879 15.4879 15.9142 15.9142 k = 0.5000 0.1443 0.4082 ( 2922 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7762 -14.7762 -14.7702 -14.7702 5.9725 5.9725 6.9150 6.9150 7.1371 7.1371 7.3975 7.3975 7.7697 7.7697 7.9743 7.9743 8.3300 8.3300 8.7328 8.7328 9.0231 9.0231 9.1590 9.1590 9.4669 9.4669 9.6350 9.6350 12.0061 12.0061 12.7476 12.7476 14.5563 14.5563 14.9613 14.9613 15.4956 15.4956 15.9512 15.9512 k = 0.5000 0.1528 0.3962 ( 2910 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7762 -14.7762 -14.7699 -14.7699 5.9589 5.9589 6.9189 6.9189 7.1488 7.1488 7.4044 7.4044 7.7617 7.7617 7.9644 7.9644 8.3164 8.3164 8.7358 8.7358 9.0100 9.0100 9.1498 9.1498 9.4316 9.4316 9.6002 9.6002 12.1012 12.1012 12.8498 12.8498 14.5848 14.5848 14.9910 14.9910 15.5022 15.5022 15.9892 15.9892 k = 0.5000 0.1613 0.3842 ( 2912 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7763 -14.7763 -14.7698 -14.7698 5.9461 5.9461 6.9219 6.9219 7.1592 7.1592 7.4120 7.4120 7.7538 7.7538 7.9537 7.9537 8.3048 8.3048 8.7395 8.7395 8.9968 8.9968 9.1409 9.1409 9.3980 9.3980 9.5670 9.5670 12.1981 12.1981 12.9441 12.9441 14.6205 14.6205 15.0185 15.0185 15.5078 15.5078 16.0275 16.0275 k = 0.5000 0.1698 0.3722 ( 2906 PWs) bands (ev): -36.2794 -36.2794 -15.2761 -15.2761 -14.7764 -14.7764 -14.7696 -14.7696 5.9340 5.9340 6.9240 6.9240 7.1680 7.1680 7.4205 7.4205 7.7461 7.7461 7.9430 7.9430 8.2952 8.2952 8.7441 8.7441 8.9838 8.9838 9.1321 9.1321 9.3659 9.3659 9.5354 9.5354 12.2966 12.2966 13.0298 13.0298 14.6634 14.6634 15.0431 15.0431 15.5127 15.5127 16.0644 16.0644 k = 0.5000 0.1783 0.3602 ( 2906 PWs) bands (ev): -36.2794 -36.2794 -15.2761 -15.2761 -14.7764 -14.7764 -14.7694 -14.7694 5.9227 5.9227 6.9252 6.9252 7.1753 7.1753 7.4299 7.4299 7.7384 7.7384 7.9325 7.9325 8.2872 8.2872 8.7497 8.7497 8.9713 8.9713 9.1231 9.1231 9.3356 9.3356 9.5053 9.5053 12.3966 12.3966 13.1061 13.1061 14.7133 14.7133 15.0640 15.0640 15.5172 15.5172 16.0948 16.0948 k = 0.5000 0.1868 0.3482 ( 2900 PWs) bands (ev): -36.2795 -36.2795 -15.2761 -15.2761 -14.7765 -14.7765 -14.7692 -14.7692 5.9122 5.9122 6.9257 6.9257 7.1811 7.1811 7.4401 7.4401 7.7306 7.7306 7.9228 7.9228 8.2806 8.2806 8.7562 8.7562 8.9594 8.9594 9.1138 9.1138 9.3071 9.3071 9.4768 9.4768 12.4979 12.4979 13.1728 13.1728 14.7693 14.7693 15.0801 15.0801 15.5215 15.5215 16.0984 16.0984 k = 0.5000 0.1953 0.3362 ( 2900 PWs) bands (ev): -36.2795 -36.2795 -15.2761 -15.2761 -14.7766 -14.7766 -14.7690 -14.7690 5.9025 5.9025 6.9255 6.9255 7.1853 7.1853 7.4511 7.4511 7.7224 7.7224 7.9142 7.9142 8.2750 8.2750 8.7637 8.7637 8.9484 8.9484 9.1039 9.1039 9.2806 9.2806 9.4499 9.4499 12.5999 12.5999 13.2302 13.2302 14.8297 14.8297 15.0904 15.0904 15.5259 15.5259 16.0466 16.0466 k = 0.5000 0.2038 0.3242 ( 2896 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7766 -14.7766 -14.7688 -14.7688 5.8937 5.8937 6.9247 6.9247 7.1883 7.1883 7.4629 7.4629 7.7138 7.7138 7.9069 7.9069 8.2703 8.2703 8.7722 8.7722 8.9383 8.9383 9.0930 9.0930 9.2564 9.2564 9.4248 9.4248 12.7024 12.7024 13.2786 13.2786 14.8924 14.8924 15.0937 15.0937 15.5304 15.5304 15.9651 15.9651 k = 0.5000 0.2123 0.3122 ( 2890 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7767 -14.7767 -14.7687 -14.7687 5.8858 5.8858 6.9234 6.9234 7.1901 7.1901 7.4753 7.4753 7.7046 7.7046 7.9011 7.9011 8.2663 8.2663 8.7817 8.7817 8.9293 8.9293 9.0810 9.0810 9.2347 9.2347 9.4016 9.4016 12.8047 12.8047 13.3190 13.3190 14.9539 14.9539 15.0892 15.0892 15.5354 15.5354 15.8801 15.8801 k = 0.5000 0.2208 0.3002 ( 2894 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7767 -14.7767 -14.7685 -14.7685 5.8787 5.8787 6.9217 6.9217 7.1911 7.1911 7.4882 7.4882 7.6948 7.6948 7.8967 7.8967 8.2628 8.2628 8.7922 8.7922 8.9214 8.9214 9.0674 9.0674 9.2157 9.2157 9.3803 9.3803 12.9059 12.9059 13.3522 13.3522 15.0049 15.0049 15.0822 15.0822 15.5408 15.5408 15.8021 15.8021 k = 0.5000 0.2292 0.2882 ( 2894 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7768 -14.7768 -14.7684 -14.7684 5.8724 5.8724 6.9198 6.9198 7.1913 7.1913 7.5015 7.5015 7.6844 7.6844 7.8935 7.8935 8.2599 8.2599 8.8037 8.8037 8.9147 8.9147 9.0523 9.0523 9.1996 9.1996 9.3611 9.3611 13.0051 13.0051 13.3792 13.3792 15.0121 15.0121 15.1028 15.1028 15.5468 15.5468 15.7360 15.7360 k = 0.5000 0.2377 0.2762 ( 2894 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7768 -14.7768 -14.7683 -14.7683 5.8670 5.8670 6.9178 6.9178 7.1911 7.1911 7.5151 7.5151 7.6734 7.6734 7.8914 7.8914 8.2574 8.2574 8.8161 8.8161 8.9092 8.9092 9.0357 9.0357 9.1863 9.1863 9.3442 9.3442 13.1008 13.1008 13.4011 13.4011 14.9772 14.9772 15.1475 15.1475 15.5534 15.5534 15.6841 15.6841 k = 0.5000 0.2462 0.2642 ( 2900 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7769 -14.7769 -14.7682 -14.7682 5.8625 5.8625 6.9158 6.9158 7.1906 7.1906 7.5289 7.5289 7.6619 7.6619 7.8901 7.8901 8.2553 8.2553 8.8293 8.8293 8.9049 8.9049 9.0180 9.0180 9.1757 9.1757 9.3296 9.3296 13.1907 13.1907 13.4189 13.4189 14.9270 14.9270 15.1908 15.1908 15.5605 15.5605 15.6459 15.6459 k = 0.5000 0.2547 0.2522 ( 2908 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7769 -14.7769 -14.7682 -14.7682 5.8588 5.8588 6.9140 6.9140 7.1900 7.1900 7.5428 7.5428 7.6500 7.6500 7.8895 7.8895 8.2536 8.2536 8.8431 8.8431 8.9019 8.9019 8.9995 8.9995 9.1674 9.1674 9.3176 9.3176 13.2719 13.2719 13.4336 13.4336 14.8713 14.8713 15.2271 15.2271 15.5676 15.5676 15.6197 15.6197 k = 0.5000 0.2632 0.2401 ( 2904 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7769 -14.7769 -14.7681 -14.7681 5.8559 5.8559 6.9124 6.9124 7.1894 7.1894 7.5567 7.5567 7.6376 7.6376 7.8892 7.8892 8.2523 8.2523 8.8570 8.8570 8.9005 8.9005 8.9808 8.9808 9.1611 9.1611 9.3082 9.3082 13.3398 13.3398 13.4470 13.4470 14.8170 14.8170 15.2552 15.2552 15.5740 15.5740 15.6029 15.6029 k = 0.5000 0.2717 0.2281 ( 2904 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7770 -14.7770 -14.7681 -14.7681 5.8538 5.8538 6.9113 6.9113 7.1888 7.1888 7.5704 7.5704 7.6249 7.6249 7.8892 7.8892 8.2513 8.2513 8.8693 8.8693 8.9017 8.9017 8.9627 8.9627 9.1568 9.1568 9.3014 9.3014 13.3880 13.3880 13.4616 13.4616 14.7713 14.7713 15.2748 15.2748 15.5786 15.5786 15.5935 15.5935 k = 0.5000 0.2802 0.2161 ( 2906 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7770 -14.7770 -14.7680 -14.7680 5.8526 5.8526 6.9105 6.9105 7.1885 7.1885 7.5839 7.5839 7.6121 7.6121 7.8892 7.8892 8.2507 8.2507 8.8775 8.8775 8.9070 8.9070 8.9465 8.9465 9.1543 9.1543 9.2973 9.2973 13.4126 13.4126 13.4772 13.4772 14.7406 14.7406 15.2863 15.2863 15.5799 15.5799 15.5904 15.5904 k = 0.5000 0.2887 0.2041 ( 2914 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7770 -14.7770 -14.7680 -14.7680 5.8522 5.8522 6.9103 6.9103 7.1884 7.1884 7.5938 7.5938 7.6024 7.6024 7.8892 7.8892 8.2505 8.2505 8.8800 8.8800 8.9120 8.9120 8.9380 8.9380 9.1534 9.1534 9.2959 9.2959 13.4192 13.4192 13.4844 13.4844 14.7297 14.7297 15.2901 15.2901 15.5796 15.5796 15.5902 15.5902 k = 0.5000 0.2887 0.2041 ( 2914 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7770 -14.7770 -14.7680 -14.7680 5.8522 5.8522 6.9103 6.9103 7.1884 7.1884 7.5938 7.5938 7.6024 7.6024 7.8892 7.8892 8.2505 8.2505 8.8800 8.8800 8.9120 8.9120 8.9380 8.9380 9.1534 9.1534 9.2959 9.2959 13.4192 13.4192 13.4844 13.4844 14.7297 14.7297 15.2901 15.2901 15.5796 15.5796 15.5902 15.5902 k = 0.4958 0.2863 0.2177 ( 2907 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7770 -14.7770 -14.7680 -14.7680 5.8526 5.8526 6.9105 6.9105 7.1885 7.1885 7.5841 7.5841 7.6119 7.6119 7.8892 7.8892 8.2507 8.2507 8.8776 8.8776 8.9071 8.9071 8.9462 8.9462 9.1542 9.1542 9.2972 9.2972 13.4128 13.4128 13.4775 13.4775 14.7402 14.7402 15.2864 15.2864 15.5799 15.5799 15.5904 15.5904 k = 0.4917 0.2839 0.2313 ( 2899 PWs) bands (ev): -36.2795 -36.2795 -15.2759 -15.2759 -14.7769 -14.7769 -14.7680 -14.7680 5.8538 5.8538 6.9112 6.9112 7.1888 7.1888 7.5710 7.5710 7.6245 7.6245 7.8892 7.8892 8.2513 8.2513 8.8697 8.8697 8.9019 8.9019 8.9620 8.9620 9.1567 9.1567 9.3012 9.3012 13.3893 13.3893 13.4623 13.4623 14.7698 14.7698 15.2754 15.2754 15.5785 15.5785 15.5934 15.5934 k = 0.4875 0.2815 0.2449 ( 2899 PWs) bands (ev): -36.2795 -36.2795 -15.2759 -15.2759 -14.7769 -14.7769 -14.7681 -14.7681 5.8558 5.8558 6.9124 6.9124 7.1893 7.1893 7.5575 7.5575 7.6369 7.6369 7.8892 7.8892 8.2522 8.2522 8.8577 8.8577 8.9006 8.9006 8.9798 8.9798 9.1608 9.1608 9.3077 9.3077 13.3428 13.3428 13.4481 13.4481 14.8140 14.8140 15.2568 15.2568 15.5733 15.5733 15.6031 15.6031 k = 0.4833 0.2791 0.2586 ( 2899 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7769 -14.7769 -14.7681 -14.7681 5.8585 5.8585 6.9139 6.9139 7.1899 7.1899 7.5439 7.5439 7.6490 7.6490 7.8895 7.8895 8.2535 8.2535 8.8441 8.8441 8.9019 8.9019 8.9981 8.9981 9.1668 9.1668 9.3168 9.3168 13.2765 13.2765 13.4357 13.4357 14.8660 14.8660 15.2311 15.2311 15.5650 15.5650 15.6206 15.6206 k = 0.4792 0.2766 0.2722 ( 2898 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7769 -14.7769 -14.7682 -14.7682 5.8621 5.8621 6.9156 6.9156 7.1905 7.1905 7.5303 7.5303 7.6608 7.6608 7.8901 7.8901 8.2551 8.2551 8.8304 8.8304 8.9048 8.9048 9.0163 9.0163 9.1745 9.1745 9.3285 9.3285 13.1966 13.1966 13.4232 13.4232 14.9169 14.9169 15.2013 15.2013 15.5542 15.5542 15.6475 15.6475 k = 0.4750 0.2742 0.2858 ( 2898 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7768 -14.7768 -14.7683 -14.7683 5.8665 5.8665 6.9176 6.9176 7.1910 7.1910 7.5168 7.5168 7.6719 7.6719 7.8914 7.8914 8.2571 8.2571 8.8172 8.8172 8.9092 8.9092 9.0341 9.0341 9.1842 9.1842 9.3427 9.3427 13.1071 13.1071 13.4092 13.4092 14.9532 14.9532 15.1757 15.1757 15.5415 15.5415 15.6858 15.6858 k = 0.4708 0.2718 0.2994 ( 2896 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7768 -14.7768 -14.7684 -14.7684 5.8717 5.8717 6.9197 6.9197 7.1912 7.1912 7.5036 7.5036 7.6824 7.6824 7.8937 7.8937 8.2595 8.2595 8.8046 8.8046 8.9149 8.9149 9.0510 9.0510 9.1959 9.1959 9.3595 9.3595 13.0109 13.0109 13.3935 13.3935 14.9552 14.9552 15.1703 15.1703 15.5271 15.5271 15.7369 15.7369 k = 0.4667 0.2694 0.3130 ( 2897 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7767 -14.7767 -14.7685 -14.7685 5.8776 5.8776 6.9217 6.9217 7.1908 7.1908 7.4907 7.4907 7.6921 7.6921 7.8972 7.8972 8.2621 8.2621 8.7929 8.7929 8.9219 8.9219 9.0669 9.0669 9.2094 9.2094 9.3786 9.3786 12.9099 12.9099 13.3757 13.3757 14.9166 14.9166 15.1894 15.1894 15.5113 15.5113 15.8012 15.8012 k = 0.4625 0.2670 0.3266 ( 2896 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7767 -14.7767 -14.7687 -14.7687 5.8844 5.8844 6.9236 6.9236 7.1897 7.1897 7.4784 7.4784 7.7006 7.7006 7.9025 7.9025 8.2652 8.2652 8.7819 8.7819 8.9304 8.9304 9.0820 9.0820 9.2244 9.2244 9.4003 9.4003 12.8055 12.8055 13.3559 13.3559 14.8521 14.8521 15.2187 15.2187 15.4946 15.4946 15.8771 15.8771 k = 0.4583 0.2646 0.3402 ( 2890 PWs) bands (ev): -36.2795 -36.2795 -15.2760 -15.2760 -14.7766 -14.7766 -14.7688 -14.7688 5.8920 5.8920 6.9253 6.9253 7.1875 7.1875 7.4669 7.4669 7.7079 7.7079 7.9098 7.9098 8.2686 8.2686 8.7719 8.7719 8.9402 8.9402 9.0963 9.0963 9.2408 9.2408 9.4242 9.4242 12.6985 12.6985 13.3340 13.3340 14.7734 14.7734 15.2480 15.2480 15.4772 15.4772 15.9613 15.9613 k = 0.4542 0.2622 0.3538 ( 2898 PWs) bands (ev): -36.2795 -36.2795 -15.2761 -15.2761 -14.7766 -14.7766 -14.7690 -14.7690 5.9004 5.9004 6.9268 6.9268 7.1840 7.1840 7.4562 7.4562 7.7137 7.7137 7.9194 7.9194 8.2723 8.2723 8.7628 8.7628 8.9515 8.9515 9.1100 9.1100 9.2582 9.2582 9.4505 9.4505 12.5895 12.5895 13.3100 13.3100 14.6861 14.6861 15.2744 15.2744 15.4596 15.4596 16.0457 16.0457 k = 0.4500 0.2598 0.3674 ( 2898 PWs) bands (ev): -36.2795 -36.2795 -15.2761 -15.2761 -14.7765 -14.7765 -14.7691 -14.7691 5.9095 5.9095 6.9278 6.9278 7.1790 7.1790 7.4467 7.4467 7.7180 7.7180 7.9316 7.9316 8.2764 8.2764 8.7546 8.7546 8.9641 8.9641 9.1234 9.1234 9.2761 9.2761 9.4790 9.4790 12.4790 12.4790 13.2841 13.2841 14.5936 14.5936 15.2973 15.2973 15.4425 15.4425 16.1059 16.1059 k = 0.4458 0.2574 0.3810 ( 2900 PWs) bands (ev): -36.2795 -36.2795 -15.2761 -15.2761 -14.7764 -14.7764 -14.7693 -14.7693 5.9193 5.9193 6.9285 6.9285 7.1723 7.1723 7.4384 7.4384 7.7208 7.7208 7.9463 7.9463 8.2809 8.2809 8.7474 8.7474 8.9780 8.9780 9.1369 9.1369 9.2944 9.2944 9.5094 9.5094 12.3675 12.3675 13.2562 13.2562 14.4980 14.4980 15.3168 15.3168 15.4266 15.4266 16.1105 16.1105 k = 0.4417 0.2550 0.3946 ( 2898 PWs) bands (ev): -36.2794 -36.2794 -15.2761 -15.2761 -14.7764 -14.7764 -14.7695 -14.7695 5.9298 5.9298 6.9287 6.9287 7.1638 7.1638 7.4313 7.4313 7.7223 7.7223 7.9634 7.9634 8.2858 8.2858 8.7411 8.7411 8.9932 8.9932 9.1506 9.1506 9.3129 9.3129 9.5415 9.5415 12.2552 12.2552 13.2265 13.2265 14.4011 14.4011 15.3322 15.3322 15.4134 15.4134 16.0858 16.0858 k = 0.4375 0.2526 0.4082 ( 2902 PWs) bands (ev): -36.2794 -36.2794 -15.2761 -15.2761 -14.7763 -14.7763 -14.7697 -14.7697 5.9409 5.9409 6.9283 6.9283 7.1535 7.1535 7.4255 7.4255 7.7226 7.7226 7.9827 7.9827 8.2911 8.2911 8.7358 8.7358 9.0096 9.0096 9.1647 9.1647 9.3315 9.3315 9.5751 9.5751 12.1424 12.1424 13.1951 13.1951 14.3043 14.3043 15.3415 15.3415 15.4057 15.4057 16.0537 16.0537 k = 0.4333 0.2502 0.4219 ( 2906 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7763 -14.7763 -14.7699 -14.7699 5.9526 5.9526 6.9274 6.9274 7.1416 7.1416 7.4209 7.4209 7.7220 7.7220 8.0038 8.0038 8.2967 8.2967 8.7315 8.7315 9.0270 9.0270 9.1793 9.1793 9.3503 9.3503 9.6100 9.6100 12.0295 12.0295 13.1621 13.1621 14.2087 14.2087 15.3423 15.3423 15.4068 15.4068 16.0194 16.0194 k = 0.4292 0.2478 0.4355 ( 2905 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7762 -14.7762 -14.7700 -14.7700 5.9648 5.9648 6.9258 6.9258 7.1283 7.1283 7.4174 7.4174 7.7207 7.7207 8.0264 8.0264 8.3027 8.3027 8.7282 8.7282 9.0455 9.0455 9.1946 9.1946 9.3693 9.3693 9.6456 9.6456 11.9168 11.9168 13.1276 13.1276 14.1153 14.1153 15.3360 15.3360 15.4155 15.4155 15.9839 15.9839 k = 0.4250 0.2454 0.4491 ( 2905 PWs) bands (ev): -36.2794 -36.2794 -15.2762 -15.2762 -14.7761 -14.7761 -14.7702 -14.7702 5.9774 5.9774 6.9234 6.9234 7.1138 7.1138 7.4147 7.4147 7.7190 7.7190 8.0499 8.0499 8.3090 8.3090 8.7259 8.7259 9.0648 9.0648 9.2107 9.2107 9.3886 9.3886 9.6818 9.6818 11.8048 11.8048 13.0919 13.0919 14.0249 14.0249 15.3269 15.3269 15.4281 15.4281 15.9464 15.9464 k = 0.4208 0.2430 0.4627 ( 2905 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7761 -14.7761 -14.7704 -14.7704 5.9902 5.9902 6.9200 6.9200 7.0987 7.0987 7.4128 7.4128 7.7171 7.7171 8.0741 8.0741 8.3155 8.3155 8.7246 8.7246 9.0850 9.0850 9.2274 9.2274 9.4087 9.4087 9.7179 9.7179 11.6939 11.6939 13.0550 13.0550 13.9381 13.9381 15.3177 15.3177 15.4420 15.4420 15.9048 15.9048 k = 0.4167 0.2406 0.4763 ( 2917 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7760 -14.7760 -14.7706 -14.7706 6.0032 6.0032 6.9155 6.9155 7.0832 7.0832 7.4113 7.4113 7.7151 7.7151 8.0984 8.0984 8.3222 8.3222 8.7242 8.7242 9.1058 9.1058 9.2449 9.2449 9.4297 9.4297 9.7535 9.7535 11.5850 11.5850 13.0171 13.0171 13.8553 13.8553 15.3094 15.3094 15.4564 15.4564 15.8570 15.8570 k = 0.4125 0.2382 0.4899 ( 2903 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7760 -14.7760 -14.7707 -14.7707 6.0163 6.0163 6.9096 6.9096 7.0680 7.0680 7.4104 7.4104 7.7133 7.7133 8.1225 8.1225 8.3289 8.3289 8.7248 8.7248 9.1271 9.1271 9.2630 9.2630 9.4521 9.4521 9.7879 9.7879 11.4789 11.4789 12.9784 12.9784 13.7769 13.7769 15.3026 15.3026 15.4708 15.4708 15.8039 15.8039 k = 0.4083 0.2358 0.5035 ( 2905 PWs) bands (ev): -36.2794 -36.2794 -15.2763 -15.2763 -14.7759 -14.7759 -14.7708 -14.7708 6.0292 6.0292 6.9020 6.9020 7.0534 7.0534 7.4096 7.4096 7.7119 7.7119 8.1461 8.1461 8.3355 8.3355 8.7261 8.7261 9.1488 9.1488 9.2816 9.2816 9.4762 9.4762 9.8202 9.8202 11.3768 11.3768 12.9390 12.9390 13.7030 13.7030 15.2976 15.2976 15.4845 15.4845 15.7485 15.7485 k = 0.4042 0.2333 0.5171 ( 2906 PWs) bands (ev): -36.2793 -36.2793 -15.2763 -15.2763 -14.7759 -14.7759 -14.7709 -14.7709 6.0418 6.0418 6.8925 6.8925 7.0401 7.0401 7.4090 7.4090 7.7110 7.7110 8.1688 8.1688 8.3418 8.3418 8.7281 8.7281 9.1704 9.1704 9.3009 9.3009 9.5026 9.5026 9.8496 9.8496 11.2798 11.2798 12.8990 12.8990 13.6338 13.6338 15.2945 15.2945 15.4971 15.4971 15.6927 15.6927 k = 0.4000 0.2309 0.5307 ( 2906 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7710 -14.7710 6.0539 6.0539 6.8807 6.8807 7.0284 7.0284 7.4086 7.4086 7.7107 7.7107 8.1905 8.1905 8.3477 8.3477 8.7307 8.7307 9.1917 9.1917 9.3206 9.3206 9.5317 9.5317 9.8747 9.8747 11.1898 11.1898 12.8587 12.8587 13.5693 13.5693 15.2936 15.2936 15.5079 15.5079 15.6378 15.6378 k = 0.3958 0.2285 0.5443 ( 2904 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7711 -14.7711 6.0653 6.0653 6.8665 6.8665 7.0186 7.0186 7.4081 7.4081 7.7111 7.7111 8.2110 8.2110 8.3530 8.3530 8.7336 8.7336 9.2123 9.2123 9.3411 9.3411 9.5636 9.5636 9.8941 9.8941 11.1087 11.1087 12.8182 12.8182 13.5095 13.5095 15.2948 15.2948 15.5154 15.5154 15.5848 15.5848 k = 0.3917 0.2261 0.5579 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7758 -14.7758 -14.7712 -14.7712 6.0758 6.0758 6.8501 6.8501 7.0108 7.0108 7.4075 7.4075 7.7124 7.7124 8.2302 8.2302 8.3577 8.3577 8.7366 8.7366 9.2318 9.2318 9.3624 9.3624 9.5986 9.5986 9.9061 9.9061 11.0388 11.0388 12.7775 12.7775 13.4542 13.4542 15.2983 15.2983 15.5116 15.5116 15.5416 15.5416 k = 0.3875 0.2237 0.5715 ( 2892 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7758 -14.7758 -14.7712 -14.7712 6.0850 6.0850 6.8316 6.8316 7.0050 7.0050 7.4068 7.4068 7.7146 7.7146 8.2480 8.2480 8.3614 8.3614 8.7396 8.7396 9.2498 9.2498 9.3846 9.3846 9.6363 9.6363 9.9096 9.9096 10.9824 10.9824 12.7370 12.7370 13.4032 13.4032 15.3040 15.3040 15.4723 15.4723 15.5320 15.5320 k = 0.3833 0.2213 0.5852 ( 2890 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.0928 6.0928 6.8113 6.8113 7.0012 7.0012 7.4059 7.4059 7.7177 7.7177 8.2644 8.2644 8.3643 8.3643 8.7422 8.7422 9.2661 9.2661 9.4080 9.4080 9.6760 9.6760 9.9039 9.9039 10.9412 10.9412 12.6966 12.6966 13.3563 13.3563 15.3120 15.3120 15.4241 15.4241 15.5297 15.5297 k = 0.3792 0.2189 0.5988 ( 2890 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.0988 6.0988 6.7895 6.7895 6.9993 6.9993 7.4048 7.4048 7.7218 7.7218 8.2794 8.2794 8.3663 8.3663 8.7443 8.7443 9.2805 9.2805 9.4325 9.4325 9.7149 9.7149 9.8916 9.8916 10.9164 10.9164 12.6565 12.6565 13.3134 13.3134 15.3221 15.3221 15.3765 15.3765 15.5258 15.5258 k = 0.3750 0.2165 0.6124 ( 2882 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.1026 6.1026 6.7665 6.7665 6.9991 6.9991 7.4034 7.4034 7.7268 7.7268 8.2929 8.2929 8.3675 8.3675 8.7458 8.7458 9.2929 9.2929 9.4580 9.4580 9.7446 9.7446 9.8815 9.8815 10.9077 10.9077 12.6169 12.6169 13.2740 13.2740 15.3288 15.3288 15.3362 15.3362 15.5206 15.5206 k = 0.6250-0.0722 0.4082 ( 2882 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7759 -14.7759 -14.7712 -14.7712 6.1026 6.1026 6.7665 6.7665 6.9991 6.9991 7.4034 7.4034 7.7268 7.7268 8.2929 8.2929 8.3675 8.3675 8.7458 8.7458 9.2929 9.2929 9.4580 9.4580 9.7446 9.7446 9.8815 9.8815 10.9077 10.9077 12.6169 12.6169 13.2740 13.2740 15.3288 15.3288 15.3362 15.3362 15.5206 15.5206 k = 0.6176-0.0849 0.4082 ( 2886 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7760 -14.7760 -14.7712 -14.7712 6.1060 6.1060 6.7259 6.7259 7.0006 7.0006 7.4003 7.4003 7.7377 7.7377 8.3136 8.3136 8.3687 8.3687 8.7470 8.7470 9.3115 9.3115 9.5050 9.5050 9.7420 9.7420 9.9190 9.9190 10.9062 10.9062 12.5476 12.5476 13.2079 13.2079 15.2600 15.2600 15.3499 15.3499 15.5118 15.5118 k = 0.6103-0.0976 0.4082 ( 2878 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7760 -14.7760 -14.7711 -14.7711 6.1071 6.1071 6.6871 6.6871 7.0025 7.0025 7.3967 7.3967 7.7513 7.7513 8.3310 8.3310 8.3698 8.3698 8.7472 8.7472 9.3262 9.3262 9.5517 9.5517 9.7043 9.7043 10.0046 10.0046 10.9052 10.9052 12.4785 12.4785 13.1424 13.1424 15.1936 15.1936 15.3628 15.3628 15.5055 15.5055 k = 0.6029-0.1104 0.4082 ( 2886 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7761 -14.7761 -14.7711 -14.7711 6.1061 6.1061 6.6503 6.6503 7.0046 7.0046 7.3927 7.3927 7.7673 7.7673 8.3444 8.3444 8.3716 8.3716 8.7466 8.7466 9.3350 9.3350 9.5867 9.5867 9.6769 9.6769 10.1048 10.1048 10.9046 10.9046 12.4099 12.4099 13.0768 13.0768 15.1307 15.1307 15.3739 15.3739 15.5015 15.5015 k = 0.5956-0.1231 0.4082 ( 2886 PWs) bands (ev): -36.2793 -36.2793 -15.2764 -15.2764 -14.7762 -14.7762 -14.7711 -14.7711 6.1037 6.1037 6.6156 6.6156 7.0069 7.0069 7.3884 7.3884 7.7858 7.7858 8.3525 8.3525 8.3756 8.3756 8.7458 8.7458 9.3347 9.3347 9.5838 9.5838 9.6951 9.6951 10.2120 10.2120 10.9045 10.9045 12.3420 12.3420 13.0108 13.0108 15.0716 15.0716 15.3831 15.3831 15.4997 15.4997 k = 0.5882-0.1358 0.4082 ( 2896 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7763 -14.7763 -14.7710 -14.7710 6.0999 6.0999 6.5831 6.5831 7.0094 7.0094 7.3840 7.3840 7.8066 7.8066 8.3554 8.3554 8.3817 8.3817 8.7451 8.7451 9.3220 9.3220 9.5651 9.5651 9.7413 9.7413 10.3238 10.3238 10.9052 10.9052 12.2753 12.2753 12.9440 12.9440 15.0164 15.0164 15.3907 15.3907 15.4996 15.4996 k = 0.5809-0.1486 0.4082 ( 2894 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7764 -14.7764 -14.7709 -14.7709 6.0953 6.0953 6.5531 6.5531 7.0120 7.0120 7.3795 7.3795 7.8295 7.8295 8.3555 8.3555 8.3874 8.3874 8.7449 8.7449 9.2958 9.2958 9.5538 9.5538 9.7934 9.7935 10.4380 10.4380 10.9072 10.9072 12.2102 12.2102 12.8759 12.8759 14.9652 14.9652 15.3969 15.3969 15.5011 15.5011 k = 0.5735-0.1613 0.4082 ( 2900 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7765 -14.7765 -14.7709 -14.7709 6.0900 6.0900 6.5254 6.5254 7.0146 7.0146 7.3750 7.3750 7.8543 7.8543 8.3545 8.3545 8.3911 8.3911 8.7457 8.7457 9.2590 9.2590 9.5518 9.5518 9.8467 9.8467 10.5524 10.5524 10.9114 10.9114 12.1470 12.1470 12.8062 12.8062 14.9180 14.9180 15.4019 15.4019 15.5036 15.5036 k = 0.5662-0.1741 0.4082 ( 2900 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7765 -14.7765 -14.7708 -14.7708 6.0845 6.0845 6.5002 6.5002 7.0171 7.0171 7.3706 7.3706 7.8808 7.8808 8.3529 8.3529 8.3922 8.3922 8.7478 8.7478 9.2161 9.2161 9.5558 9.5558 9.8993 9.8993 10.6631 10.6631 10.9207 10.9207 12.0866 12.0866 12.7344 12.7344 14.8751 14.8751 15.4061 15.4061 15.5069 15.5069 k = 0.5588-0.1868 0.4082 ( 2894 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7766 -14.7766 -14.7707 -14.7707 6.0789 6.0789 6.4776 6.4776 7.0195 7.0195 7.3665 7.3665 7.9086 7.9086 8.3510 8.3510 8.3903 8.3903 8.7516 8.7516 9.1707 9.1707 9.5630 9.5630 9.9504 9.9504 10.7602 10.7602 10.9439 10.9439 12.0296 12.0296 12.6603 12.6603 14.8365 14.8365 15.4095 15.4095 15.5105 15.5105 k = 0.5515-0.1995 0.4082 ( 2898 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7767 -14.7767 -14.7707 -14.7707 6.0734 6.0734 6.4575 6.4575 7.0217 7.0217 7.3627 7.3627 7.9375 7.9375 8.3490 8.3490 8.3855 8.3855 8.7571 8.7571 9.1251 9.1251 9.5714 9.5714 9.9989 9.9989 10.8236 10.8236 10.9995 10.9995 11.9771 11.9771 12.5837 12.5837 14.8022 14.8022 15.4125 15.4125 15.5142 15.5142 k = 0.5441-0.2123 0.4082 ( 2904 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7768 -14.7768 -14.7706 -14.7706 6.0683 6.0683 6.4401 6.4401 7.0237 7.0237 7.3593 7.3593 7.9668 7.9668 8.3468 8.3468 8.3779 8.3779 8.7647 8.7647 9.0808 9.0808 9.5799 9.5799 10.0441 10.0441 10.8509 10.8509 11.0887 11.0887 11.9304 11.9304 12.5046 12.5046 14.7723 14.7723 15.4149 15.4149 15.5177 15.5177 k = 0.5368-0.2250 0.4082 ( 2906 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7768 -14.7768 -14.7706 -14.7706 6.0637 6.0637 6.4253 6.4253 7.0254 7.0254 7.3563 7.3563 7.9959 7.9959 8.3441 8.3441 8.3685 8.3685 8.7743 8.7743 9.0389 9.0389 9.5877 9.5877 10.0848 10.0848 10.8617 10.8617 11.1896 11.1896 11.8912 11.8912 12.4234 12.4234 14.7469 14.7469 15.4170 15.4170 15.5209 15.5209 k = 0.5294-0.2377 0.4082 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7769 -14.7769 -14.7705 -14.7705 6.0598 6.0598 6.4132 6.4132 7.0268 7.0268 7.3537 7.3537 8.0238 8.0238 8.3397 8.3397 8.3589 8.3589 8.7859 8.7859 9.0001 9.0001 9.5946 9.5946 10.1203 10.1203 10.8666 10.8666 11.2884 11.2884 11.8620 11.8620 12.3409 12.3409 14.7261 14.7261 15.4188 15.4188 15.5237 15.5237 k = 0.5221-0.2505 0.4082 ( 2902 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7769 -14.7769 -14.7705 -14.7705 6.0566 6.0566 6.4037 6.4037 7.0280 7.0280 7.3517 7.3517 8.0493 8.0493 8.3319 8.3319 8.3523 8.3523 8.7995 8.7995 8.9651 8.9651 9.6001 9.6001 10.1492 10.1492 10.8691 10.8691 11.3770 11.3770 11.8461 11.8461 12.2589 12.2589 14.7098 14.7098 15.4201 15.4201 15.5259 15.5259 k = 0.5147-0.2632 0.4082 ( 2900 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7769 -14.7769 -14.7705 -14.7705 6.0543 6.0543 6.3970 6.3970 7.0288 7.0288 7.3502 7.3502 8.0705 8.0705 8.3218 8.3218 8.3492 8.3492 8.8143 8.8143 8.9346 8.9346 9.6042 9.6042 10.1708 10.1708 10.8703 10.8703 11.4471 11.4471 11.8470 11.8470 12.1813 12.1813 14.6982 14.6982 15.4211 15.4211 15.5276 15.5276 k = 0.5074-0.2759 0.4082 ( 2894 PWs) bands (ev): -36.2793 -36.2793 -15.2765 -15.2765 -14.7769 -14.7769 -14.7704 -14.7704 6.0529 6.0529 6.3929 6.3929 7.0293 7.0293 7.3493 7.3493 8.0850 8.0850 8.3135 8.3135 8.3479 8.3479 8.8284 8.8284 8.9111 8.9111 9.6067 9.6067 10.1841 10.1841 10.8709 10.8709 11.4910 11.4910 11.8625 11.8625 12.1179 12.1179 14.6912 14.6912 15.4217 15.4217 15.5286 15.5286 k = 0.5000-0.2887 0.4082 ( 2914 PWs) bands (ev): -36.2793 -36.2793 -15.2766 -15.2766 -14.7770 -14.7770 -14.7705 -14.7705 6.0524 6.0524 6.3915 6.3915 7.0295 7.0295 7.3490 7.3490 8.0901 8.0901 8.3103 8.3103 8.3475 8.3475 8.8354 8.8354 8.9009 8.9009 9.6075 9.6075 10.1886 10.1886 10.8711 10.8711 11.5056 11.5056 11.8739 11.8739 12.0906 12.0906 14.6888 14.6888 15.4219 15.4219 15.5289 15.5289 Writing output data file ScAlAu2.save init_run : 0.32s CPU 0.44s WALL ( 1 calls) electrons : 150.42s CPU 152.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 150.40s CPU 152.81s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 322 calls) cegterg : 138.42s CPU 140.43s WALL ( 505 calls) Called by sum_band: Called by *egterg: h_psi : 82.78s CPU 84.17s WALL ( 8075 calls) s_psi : 5.14s CPU 5.23s WALL ( 8075 calls) g_psi : 0.17s CPU 0.18s WALL ( 7248 calls) cdiaghg : 46.55s CPU 47.25s WALL ( 7570 calls) cegterg:over : 4.65s CPU 4.73s WALL ( 7248 calls) cegterg:upda : 3.49s CPU 3.50s WALL ( 7248 calls) cegterg:last : 2.24s CPU 2.21s WALL ( 1597 calls) cdiaghg:chol : 2.64s CPU 2.64s WALL ( 7570 calls) cdiaghg:inve : 1.56s CPU 1.57s WALL ( 7570 calls) cdiaghg:para : 2.86s CPU 2.80s WALL ( 15140 calls) Called by h_psi: h_psi:vloc : 71.68s CPU 73.00s WALL ( 8075 calls) h_psi:vnl : 10.90s CPU 11.01s WALL ( 8075 calls) add_vuspsi : 5.88s CPU 5.99s WALL ( 8075 calls) General routines calbec : 5.00s CPU 5.01s WALL ( 8075 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.26s CPU 67.55s WALL ( 880748 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.16s WALL ( 644 calls) Parallel routines fft_scatter : 23.94s CPU 24.33s WALL ( 880771 calls) PWSCF : 2m43.02s CPU 2m57.53s WALL This run was terminated on: 18:37:47 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=