Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:24:19 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: ./YInAu2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 69 27 8 2274 558 91 Max 70 28 9 2277 575 93 Sum 2491 979 295 81931 20395 3287 bravais-lattice index = 14 lattice parameter (alat) = 9.2267 a.u. unit-cell volume = 555.4277 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.226724 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Au 11.00 196.96660 Au( 1.00) Y 11.00 88.90590 Y( 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= 308 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 2) = ( 0.0108696 -0.0062755 0.0088750), wk = 0.0032468 k( 3) = ( 0.0217391 -0.0125511 0.0177499), wk = 0.0032468 k( 4) = ( 0.0326087 -0.0188266 0.0266249), wk = 0.0032468 k( 5) = ( 0.0434783 -0.0251022 0.0354999), wk = 0.0032468 k( 6) = ( 0.0543478 -0.0313777 0.0443748), wk = 0.0032468 k( 7) = ( 0.0652174 -0.0376533 0.0532498), wk = 0.0032468 k( 8) = ( 0.0760870 -0.0439288 0.0621247), wk = 0.0032468 k( 9) = ( 0.0869565 -0.0502044 0.0709997), wk = 0.0032468 k( 10) = ( 0.0978261 -0.0564799 0.0798747), wk = 0.0032468 k( 11) = ( 0.1086957 -0.0627555 0.0887496), wk = 0.0032468 k( 12) = ( 0.1195652 -0.0690310 0.0976246), wk = 0.0032468 k( 13) = ( 0.1304348 -0.0753066 0.1064996), wk = 0.0032468 k( 14) = ( 0.1413043 -0.0815821 0.1153745), wk = 0.0032468 k( 15) = ( 0.1521739 -0.0878576 0.1242495), wk = 0.0032468 k( 16) = ( 0.1630435 -0.0941332 0.1331244), wk = 0.0032468 k( 17) = ( 0.1739130 -0.1004087 0.1419994), wk = 0.0032468 k( 18) = ( 0.1847826 -0.1066843 0.1508744), wk = 0.0032468 k( 19) = ( 0.1956522 -0.1129598 0.1597493), wk = 0.0032468 k( 20) = ( 0.2065217 -0.1192354 0.1686243), wk = 0.0032468 k( 21) = ( 0.2173913 -0.1255109 0.1774993), wk = 0.0032468 k( 22) = ( 0.2282609 -0.1317865 0.1863742), wk = 0.0032468 k( 23) = ( 0.2391304 -0.1380620 0.1952492), wk = 0.0032468 k( 24) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0032468 k( 25) = ( 0.2608696 -0.1506131 0.2129991), wk = 0.0032468 k( 26) = ( 0.2717391 -0.1568887 0.2218741), wk = 0.0032468 k( 27) = ( 0.2826087 -0.1631642 0.2307490), wk = 0.0032468 k( 28) = ( 0.2934783 -0.1694398 0.2396240), wk = 0.0032468 k( 29) = ( 0.3043478 -0.1757153 0.2484990), wk = 0.0032468 k( 30) = ( 0.3152174 -0.1819908 0.2573739), wk = 0.0032468 k( 31) = ( 0.3260870 -0.1882664 0.2662489), wk = 0.0032468 k( 32) = ( 0.3369565 -0.1945419 0.2751238), wk = 0.0032468 k( 33) = ( 0.3478261 -0.2008175 0.2839988), wk = 0.0032468 k( 34) = ( 0.3586956 -0.2070930 0.2928738), wk = 0.0032468 k( 35) = ( 0.3695652 -0.2133686 0.3017487), wk = 0.0032468 k( 36) = ( 0.3804348 -0.2196441 0.3106237), wk = 0.0032468 k( 37) = ( 0.3913044 -0.2259197 0.3194987), wk = 0.0032468 k( 38) = ( 0.4021739 -0.2321952 0.3283736), wk = 0.0032468 k( 39) = ( 0.4130435 -0.2384708 0.3372486), wk = 0.0032468 k( 40) = ( 0.4239130 -0.2447463 0.3461235), wk = 0.0032468 k( 41) = ( 0.4347826 -0.2510219 0.3549985), wk = 0.0032468 k( 42) = ( 0.4456522 -0.2572974 0.3638735), wk = 0.0032468 k( 43) = ( 0.4565217 -0.2635729 0.3727484), wk = 0.0032468 k( 44) = ( 0.4673913 -0.2698485 0.3816234), wk = 0.0032468 k( 45) = ( 0.4782609 -0.2761240 0.3904984), wk = 0.0032468 k( 46) = ( 0.4891304 -0.2823996 0.3993733), wk = 0.0032468 k( 47) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0032468 k( 48) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0032468 k( 49) = ( 0.5000000 -0.2761240 0.4171233), wk = 0.0032468 k( 50) = ( 0.5000000 -0.2635729 0.4259982), wk = 0.0032468 k( 51) = ( 0.5000000 -0.2510219 0.4348732), wk = 0.0032468 k( 52) = ( 0.5000000 -0.2384708 0.4437481), wk = 0.0032468 k( 53) = ( 0.5000000 -0.2259197 0.4526231), wk = 0.0032468 k( 54) = ( 0.5000000 -0.2133686 0.4614981), wk = 0.0032468 k( 55) = ( 0.5000000 -0.2008175 0.4703730), wk = 0.0032468 k( 56) = ( 0.5000000 -0.1882664 0.4792480), wk = 0.0032468 k( 57) = ( 0.5000000 -0.1757153 0.4881230), wk = 0.0032468 k( 58) = ( 0.5000000 -0.1631642 0.4969979), wk = 0.0032468 k( 59) = ( 0.5000000 -0.1506131 0.5058729), wk = 0.0032468 k( 60) = ( 0.5000000 -0.1380620 0.5147478), wk = 0.0032468 k( 61) = ( 0.5000000 -0.1255109 0.5236228), wk = 0.0032468 k( 62) = ( 0.5000000 -0.1129598 0.5324978), wk = 0.0032468 k( 63) = ( 0.5000000 -0.1004087 0.5413727), wk = 0.0032468 k( 64) = ( 0.5000000 -0.0878577 0.5502477), wk = 0.0032468 k( 65) = ( 0.5000000 -0.0753066 0.5591227), wk = 0.0032468 k( 66) = ( 0.5000000 -0.0627555 0.5679976), wk = 0.0032468 k( 67) = ( 0.5000000 -0.0502044 0.5768726), wk = 0.0032468 k( 68) = ( 0.5000000 -0.0376533 0.5857475), wk = 0.0032468 k( 69) = ( 0.5000000 -0.0251022 0.5946225), wk = 0.0032468 k( 70) = ( 0.5000000 -0.0125511 0.6034975), wk = 0.0032468 k( 71) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0032468 k( 72) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0032468 k( 73) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0032468 k( 74) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0032468 k( 75) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0032468 k( 76) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0032468 k( 77) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0032468 k( 78) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0032468 k( 79) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0032468 k( 80) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0032468 k( 81) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0032468 k( 82) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0032468 k( 83) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0032468 k( 84) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0032468 k( 85) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0032468 k( 86) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0032468 k( 87) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0032468 k( 88) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0032468 k( 89) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0032468 k( 90) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0032468 k( 91) = ( 0.3673469 0.2120879 0.5998750), wk = 0.0032468 k( 92) = ( 0.3596939 0.2076694 0.5873776), wk = 0.0032468 k( 93) = ( 0.3520408 0.2032509 0.5748802), wk = 0.0032468 k( 94) = ( 0.3443878 0.1988324 0.5623828), wk = 0.0032468 k( 95) = ( 0.3367347 0.1944139 0.5498855), wk = 0.0032468 k( 96) = ( 0.3290816 0.1899954 0.5373881), wk = 0.0032468 k( 97) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0032468 k( 98) = ( 0.3137755 0.1811584 0.5123933), wk = 0.0032468 k( 99) = ( 0.3061224 0.1767399 0.4998959), wk = 0.0032468 k( 100) = ( 0.2984694 0.1723214 0.4873985), wk = 0.0032468 k( 101) = ( 0.2908163 0.1679029 0.4749011), wk = 0.0032468 k( 102) = ( 0.2831633 0.1634844 0.4624037), wk = 0.0032468 k( 103) = ( 0.2755102 0.1590659 0.4499063), wk = 0.0032468 k( 104) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0032468 k( 105) = ( 0.2602041 0.1502289 0.4249115), wk = 0.0032468 k( 106) = ( 0.2525510 0.1458104 0.4124141), wk = 0.0032468 k( 107) = ( 0.2448980 0.1413919 0.3999167), wk = 0.0032468 k( 108) = ( 0.2372449 0.1369734 0.3874193), wk = 0.0032468 k( 109) = ( 0.2295918 0.1325549 0.3749219), wk = 0.0032468 k( 110) = ( 0.2219388 0.1281364 0.3624245), wk = 0.0032468 k( 111) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0032468 k( 112) = ( 0.2066327 0.1192994 0.3374297), wk = 0.0032468 k( 113) = ( 0.1989796 0.1148809 0.3249323), wk = 0.0032468 k( 114) = ( 0.1913265 0.1104624 0.3124349), wk = 0.0032468 k( 115) = ( 0.1836735 0.1060439 0.2999375), wk = 0.0032468 k( 116) = ( 0.1760204 0.1016254 0.2874401), wk = 0.0032468 k( 117) = ( 0.1683673 0.0972069 0.2749427), wk = 0.0032468 k( 118) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0032468 k( 119) = ( 0.1530612 0.0883699 0.2499479), wk = 0.0032468 k( 120) = ( 0.1454082 0.0839514 0.2374505), wk = 0.0032468 k( 121) = ( 0.1377551 0.0795329 0.2249531), wk = 0.0032468 k( 122) = ( 0.1301020 0.0751144 0.2124557), wk = 0.0032468 k( 123) = ( 0.1224490 0.0706960 0.1999583), wk = 0.0032468 k( 124) = ( 0.1147959 0.0662775 0.1874610), wk = 0.0032468 k( 125) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0032468 k( 126) = ( 0.0994898 0.0574405 0.1624662), wk = 0.0032468 k( 127) = ( 0.0918367 0.0530220 0.1499688), wk = 0.0032468 k( 128) = ( 0.0841837 0.0486035 0.1374714), wk = 0.0032468 k( 129) = ( 0.0765306 0.0441850 0.1249740), wk = 0.0032468 k( 130) = ( 0.0688775 0.0397665 0.1124766), wk = 0.0032468 k( 131) = ( 0.0612245 0.0353480 0.0999792), wk = 0.0032468 k( 132) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0032468 k( 133) = ( 0.0459184 0.0265110 0.0749844), wk = 0.0032468 k( 134) = ( 0.0382653 0.0220925 0.0624870), wk = 0.0032468 k( 135) = ( 0.0306122 0.0176740 0.0499896), wk = 0.0032468 k( 136) = ( 0.0229592 0.0132555 0.0374922), wk = 0.0032468 k( 137) = ( 0.0153061 0.0088370 0.0249948), wk = 0.0032468 k( 138) = ( 0.0076531 0.0044185 0.0124974), wk = 0.0032468 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 141) = ( 0.0125000 0.0072169 0.0051031), wk = 0.0032468 k( 142) = ( 0.0250000 0.0144338 0.0102062), wk = 0.0032468 k( 143) = ( 0.0375000 0.0216506 0.0153093), wk = 0.0032468 k( 144) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0032468 k( 145) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0032468 k( 146) = ( 0.0750000 0.0433013 0.0306186), wk = 0.0032468 k( 147) = ( 0.0875000 0.0505181 0.0357217), wk = 0.0032468 k( 148) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0032468 k( 149) = ( 0.1125000 0.0649519 0.0459279), wk = 0.0032468 k( 150) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0032468 k( 151) = ( 0.1375000 0.0793857 0.0561341), wk = 0.0032468 k( 152) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0032468 k( 153) = ( 0.1625000 0.0938194 0.0663403), wk = 0.0032468 k( 154) = ( 0.1750000 0.1010363 0.0714435), wk = 0.0032468 k( 155) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0032468 k( 156) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0032468 k( 157) = ( 0.2125000 0.1226869 0.0867528), wk = 0.0032468 k( 158) = ( 0.2250000 0.1299038 0.0918559), wk = 0.0032468 k( 159) = ( 0.2375000 0.1371207 0.0969590), wk = 0.0032468 k( 160) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0032468 k( 161) = ( 0.2625000 0.1515544 0.1071652), wk = 0.0032468 k( 162) = ( 0.2750000 0.1587713 0.1122683), wk = 0.0032468 k( 163) = ( 0.2875000 0.1659882 0.1173714), wk = 0.0032468 k( 164) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0032468 k( 165) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0032468 k( 166) = ( 0.3250000 0.1876388 0.1326807), wk = 0.0032468 k( 167) = ( 0.3375000 0.1948557 0.1377838), wk = 0.0032468 k( 168) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0032468 k( 169) = ( 0.3625000 0.2092895 0.1479900), wk = 0.0032468 k( 170) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0032468 k( 171) = ( 0.3875000 0.2237232 0.1581962), wk = 0.0032468 k( 172) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0032468 k( 173) = ( 0.4125000 0.2381570 0.1684024), wk = 0.0032468 k( 174) = ( 0.4250000 0.2453739 0.1735055), wk = 0.0032468 k( 175) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0032468 k( 176) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0032468 k( 177) = ( 0.4625000 0.2670245 0.1888148), wk = 0.0032468 k( 178) = ( 0.4750000 0.2742414 0.1939179), wk = 0.0032468 k( 179) = ( 0.4875000 0.2814583 0.1990210), wk = 0.0032468 k( 180) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032468 k( 181) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032468 k( 182) = ( 0.5044643 0.2757879 0.2114143), wk = 0.0032468 k( 183) = ( 0.5089286 0.2629006 0.2187044), wk = 0.0032468 k( 184) = ( 0.5133929 0.2500133 0.2259946), wk = 0.0032468 k( 185) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0032468 k( 186) = ( 0.5223214 0.2242387 0.2405749), wk = 0.0032468 k( 187) = ( 0.5267857 0.2113514 0.2478650), wk = 0.0032468 k( 188) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0032468 k( 189) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0032468 k( 190) = ( 0.5401786 0.1726896 0.2697355), wk = 0.0032468 k( 191) = ( 0.5446429 0.1598023 0.2770256), wk = 0.0032468 k( 192) = ( 0.5491071 0.1469150 0.2843158), wk = 0.0032468 k( 193) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0032468 k( 194) = ( 0.5580357 0.1211405 0.2988961), wk = 0.0032468 k( 195) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0032468 k( 196) = ( 0.5669643 0.0953659 0.3134764), wk = 0.0032468 k( 197) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0032468 k( 198) = ( 0.5758929 0.0695913 0.3280567), wk = 0.0032468 k( 199) = ( 0.5803571 0.0567040 0.3353468), wk = 0.0032468 k( 200) = ( 0.5848214 0.0438168 0.3426370), wk = 0.0032468 k( 201) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0032468 k( 202) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0032468 k( 203) = ( 0.5982143 0.0051549 0.3645074), wk = 0.0032468 k( 204) = ( 0.6026786 -0.0077324 0.3717975), wk = 0.0032468 k( 205) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0032468 k( 206) = ( 0.6116071 -0.0335069 0.3863778), wk = 0.0032468 k( 207) = ( 0.6160714 -0.0463942 0.3936680), wk = 0.0032468 k( 208) = ( 0.6205357 -0.0592815 0.4009581), wk = 0.0032468 k( 209) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0032468 k( 210) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0032468 k( 211) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0032468 k( 212) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0032468 k( 213) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0032468 k( 214) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0032468 k( 215) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0032468 k( 216) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0032468 k( 217) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0032468 k( 218) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0032468 k( 219) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0032468 k( 220) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0032468 k( 221) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0032468 k( 222) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0032468 k( 223) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0032468 k( 224) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0032468 k( 225) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0032468 k( 226) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0032468 k( 227) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0032468 k( 228) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0032468 k( 229) = ( 0.5000000 0.0087477 0.6000013), wk = 0.0032468 k( 230) = ( 0.5000000 0.0174955 0.5876301), wk = 0.0032468 k( 231) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0032468 k( 232) = ( 0.5000000 0.0349909 0.5628878), wk = 0.0032468 k( 233) = ( 0.5000000 0.0437387 0.5505166), wk = 0.0032468 k( 234) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0032468 k( 235) = ( 0.5000000 0.0612341 0.5257743), wk = 0.0032468 k( 236) = ( 0.5000000 0.0699819 0.5134032), wk = 0.0032468 k( 237) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0032468 k( 238) = ( 0.5000000 0.0874773 0.4886608), wk = 0.0032468 k( 239) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0032468 k( 240) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0032468 k( 241) = ( 0.5000000 0.1137205 0.4515473), wk = 0.0032468 k( 242) = ( 0.5000000 0.1224682 0.4391762), wk = 0.0032468 k( 243) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0032468 k( 244) = ( 0.5000000 0.1399637 0.4144339), wk = 0.0032468 k( 245) = ( 0.5000000 0.1487114 0.4020627), wk = 0.0032468 k( 246) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0032468 k( 247) = ( 0.5000000 0.1662069 0.3773204), wk = 0.0032468 k( 248) = ( 0.5000000 0.1749546 0.3649492), wk = 0.0032468 k( 249) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0032468 k( 250) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0032468 k( 251) = ( 0.5000000 0.2011978 0.3278358), wk = 0.0032468 k( 252) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0032468 k( 253) = ( 0.5000000 0.2186933 0.3030934), wk = 0.0032468 k( 254) = ( 0.5000000 0.2274410 0.2907223), wk = 0.0032468 k( 255) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0032468 k( 256) = ( 0.5000000 0.2449365 0.2659800), wk = 0.0032468 k( 257) = ( 0.5000000 0.2536842 0.2536088), wk = 0.0032468 k( 258) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0032468 k( 259) = ( 0.5000000 0.2711797 0.2288665), wk = 0.0032468 k( 260) = ( 0.5000000 0.2799274 0.2164953), wk = 0.0032468 k( 261) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032468 k( 262) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032468 k( 263) = ( 0.4955357 0.2860977 0.2187044), wk = 0.0032468 k( 264) = ( 0.4910714 0.2835202 0.2332847), wk = 0.0032468 k( 265) = ( 0.4866071 0.2809428 0.2478650), wk = 0.0032468 k( 266) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0032468 k( 267) = ( 0.4776786 0.2757879 0.2770256), wk = 0.0032468 k( 268) = ( 0.4732143 0.2732104 0.2916059), wk = 0.0032468 k( 269) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0032468 k( 270) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0032468 k( 271) = ( 0.4598214 0.2654780 0.3353468), wk = 0.0032468 k( 272) = ( 0.4553571 0.2629006 0.3499271), wk = 0.0032468 k( 273) = ( 0.4508929 0.2603231 0.3645074), wk = 0.0032468 k( 274) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0032468 k( 275) = ( 0.4419643 0.2551682 0.3936680), wk = 0.0032468 k( 276) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0032468 k( 277) = ( 0.4330357 0.2500133 0.4228286), wk = 0.0032468 k( 278) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0032468 k( 279) = ( 0.4241071 0.2448584 0.4519892), wk = 0.0032468 k( 280) = ( 0.4196429 0.2422809 0.4665695), wk = 0.0032468 k( 281) = ( 0.4151786 0.2397035 0.4811498), wk = 0.0032468 k( 282) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0032468 k( 283) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0032468 k( 284) = ( 0.4017857 0.2319711 0.5248907), wk = 0.0032468 k( 285) = ( 0.3973214 0.2293936 0.5394710), wk = 0.0032468 k( 286) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0032468 k( 287) = ( 0.3883929 0.2242387 0.5686316), wk = 0.0032468 k( 288) = ( 0.3839286 0.2216613 0.5832118), wk = 0.0032468 k( 289) = ( 0.3794643 0.2190838 0.5977921), wk = 0.0032468 k( 290) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0032468 k( 291) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0032468 k( 292) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0032468 k( 293) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0032468 k( 294) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0032468 k( 295) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0032468 k( 296) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0032468 k( 297) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0032468 k( 298) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0032468 k( 299) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0032468 k( 300) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0032468 k( 301) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0032468 k( 302) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0032468 k( 303) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0032468 k( 304) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0032468 k( 305) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0032468 k( 306) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0032468 k( 307) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0032468 k( 308) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0032468 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 2) = ( 0.0108696 -0.0000000 0.0108696), wk = 0.0032468 k( 3) = ( 0.0217391 -0.0000000 0.0217391), wk = 0.0032468 k( 4) = ( 0.0326087 -0.0000000 0.0326087), wk = 0.0032468 k( 5) = ( 0.0434783 -0.0000000 0.0434783), wk = 0.0032468 k( 6) = ( 0.0543478 0.0000000 0.0543478), wk = 0.0032468 k( 7) = ( 0.0652174 -0.0000000 0.0652174), wk = 0.0032468 k( 8) = ( 0.0760870 -0.0000000 0.0760870), wk = 0.0032468 k( 9) = ( 0.0869565 -0.0000000 0.0869565), wk = 0.0032468 k( 10) = ( 0.0978261 0.0000000 0.0978261), wk = 0.0032468 k( 11) = ( 0.1086957 -0.0000000 0.1086956), wk = 0.0032468 k( 12) = ( 0.1195652 -0.0000000 0.1195652), wk = 0.0032468 k( 13) = ( 0.1304348 -0.0000000 0.1304348), wk = 0.0032468 k( 14) = ( 0.1413043 -0.0000000 0.1413043), wk = 0.0032468 k( 15) = ( 0.1521739 -0.0000000 0.1521739), wk = 0.0032468 k( 16) = ( 0.1630435 -0.0000000 0.1630435), wk = 0.0032468 k( 17) = ( 0.1739130 -0.0000000 0.1739130), wk = 0.0032468 k( 18) = ( 0.1847826 -0.0000000 0.1847826), wk = 0.0032468 k( 19) = ( 0.1956522 -0.0000000 0.1956522), wk = 0.0032468 k( 20) = ( 0.2065217 -0.0000000 0.2065217), wk = 0.0032468 k( 21) = ( 0.2173913 -0.0000000 0.2173913), wk = 0.0032468 k( 22) = ( 0.2282609 0.0000000 0.2282609), wk = 0.0032468 k( 23) = ( 0.2391304 0.0000000 0.2391304), wk = 0.0032468 k( 24) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0032468 k( 25) = ( 0.2608696 -0.0000000 0.2608696), wk = 0.0032468 k( 26) = ( 0.2717391 -0.0000000 0.2717391), wk = 0.0032468 k( 27) = ( 0.2826087 -0.0000000 0.2826087), wk = 0.0032468 k( 28) = ( 0.2934783 -0.0000000 0.2934783), wk = 0.0032468 k( 29) = ( 0.3043478 -0.0000000 0.3043478), wk = 0.0032468 k( 30) = ( 0.3152174 -0.0000000 0.3152174), wk = 0.0032468 k( 31) = ( 0.3260870 -0.0000000 0.3260870), wk = 0.0032468 k( 32) = ( 0.3369565 -0.0000000 0.3369565), wk = 0.0032468 k( 33) = ( 0.3478261 -0.0000000 0.3478261), wk = 0.0032468 k( 34) = ( 0.3586956 -0.0000000 0.3586956), wk = 0.0032468 k( 35) = ( 0.3695652 -0.0000000 0.3695652), wk = 0.0032468 k( 36) = ( 0.3804348 -0.0000000 0.3804348), wk = 0.0032468 k( 37) = ( 0.3913044 -0.0000000 0.3913043), wk = 0.0032468 k( 38) = ( 0.4021739 -0.0000000 0.4021739), wk = 0.0032468 k( 39) = ( 0.4130435 -0.0000000 0.4130435), wk = 0.0032468 k( 40) = ( 0.4239130 -0.0000000 0.4239130), wk = 0.0032468 k( 41) = ( 0.4347826 -0.0000000 0.4347826), wk = 0.0032468 k( 42) = ( 0.4456522 -0.0000000 0.4456522), wk = 0.0032468 k( 43) = ( 0.4565217 0.0000000 0.4565217), wk = 0.0032468 k( 44) = ( 0.4673913 0.0000000 0.4673913), wk = 0.0032468 k( 45) = ( 0.4782609 -0.0000000 0.4782609), wk = 0.0032468 k( 46) = ( 0.4891304 -0.0000000 0.4891304), wk = 0.0032468 k( 47) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032468 k( 48) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032468 k( 49) = ( 0.5000000 0.0108696 0.5108696), wk = 0.0032468 k( 50) = ( 0.5000000 0.0217391 0.5217391), wk = 0.0032468 k( 51) = ( 0.5000000 0.0326087 0.5326087), wk = 0.0032468 k( 52) = ( 0.5000000 0.0434783 0.5434783), wk = 0.0032468 k( 53) = ( 0.5000000 0.0543478 0.5543478), wk = 0.0032468 k( 54) = ( 0.5000000 0.0652174 0.5652174), wk = 0.0032468 k( 55) = ( 0.5000000 0.0760870 0.5760870), wk = 0.0032468 k( 56) = ( 0.5000000 0.0869565 0.5869565), wk = 0.0032468 k( 57) = ( 0.5000000 0.0978261 0.5978261), wk = 0.0032468 k( 58) = ( 0.5000000 0.1086956 0.6086956), wk = 0.0032468 k( 59) = ( 0.5000000 0.1195652 0.6195652), wk = 0.0032468 k( 60) = ( 0.5000000 0.1304348 0.6304348), wk = 0.0032468 k( 61) = ( 0.5000000 0.1413043 0.6413043), wk = 0.0032468 k( 62) = ( 0.5000000 0.1521739 0.6521739), wk = 0.0032468 k( 63) = ( 0.5000000 0.1630435 0.6630435), wk = 0.0032468 k( 64) = ( 0.5000000 0.1739130 0.6739130), wk = 0.0032468 k( 65) = ( 0.5000000 0.1847826 0.6847826), wk = 0.0032468 k( 66) = ( 0.5000000 0.1956522 0.6956522), wk = 0.0032468 k( 67) = ( 0.5000000 0.2065217 0.7065217), wk = 0.0032468 k( 68) = ( 0.5000000 0.2173913 0.7173913), wk = 0.0032468 k( 69) = ( 0.5000000 0.2282609 0.7282609), wk = 0.0032468 k( 70) = ( 0.5000000 0.2391304 0.7391304), wk = 0.0032468 k( 71) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032468 k( 72) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032468 k( 73) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0032468 k( 74) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0032468 k( 75) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0032468 k( 76) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0032468 k( 77) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0032468 k( 78) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0032468 k( 79) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0032468 k( 80) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0032468 k( 81) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0032468 k( 82) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0032468 k( 83) = ( 0.4191177 0.3308823 0.7500000), wk = 0.0032468 k( 84) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0032468 k( 85) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0032468 k( 86) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0032468 k( 87) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0032468 k( 88) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0032468 k( 89) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0032468 k( 90) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0032468 k( 91) = ( 0.3673469 0.3673469 0.7346939), wk = 0.0032468 k( 92) = ( 0.3596939 0.3596939 0.7193878), wk = 0.0032468 k( 93) = ( 0.3520408 0.3520408 0.7040816), wk = 0.0032468 k( 94) = ( 0.3443878 0.3443878 0.6887755), wk = 0.0032468 k( 95) = ( 0.3367347 0.3367347 0.6734694), wk = 0.0032468 k( 96) = ( 0.3290816 0.3290816 0.6581633), wk = 0.0032468 k( 97) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0032468 k( 98) = ( 0.3137755 0.3137755 0.6275510), wk = 0.0032468 k( 99) = ( 0.3061224 0.3061224 0.6122449), wk = 0.0032468 k( 100) = ( 0.2984694 0.2984694 0.5969388), wk = 0.0032468 k( 101) = ( 0.2908163 0.2908163 0.5816326), wk = 0.0032468 k( 102) = ( 0.2831633 0.2831633 0.5663265), wk = 0.0032468 k( 103) = ( 0.2755102 0.2755102 0.5510204), wk = 0.0032468 k( 104) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0032468 k( 105) = ( 0.2602041 0.2602041 0.5204082), wk = 0.0032468 k( 106) = ( 0.2525510 0.2525510 0.5051020), wk = 0.0032468 k( 107) = ( 0.2448980 0.2448980 0.4897959), wk = 0.0032468 k( 108) = ( 0.2372449 0.2372449 0.4744898), wk = 0.0032468 k( 109) = ( 0.2295918 0.2295918 0.4591837), wk = 0.0032468 k( 110) = ( 0.2219388 0.2219388 0.4438775), wk = 0.0032468 k( 111) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0032468 k( 112) = ( 0.2066327 0.2066327 0.4132653), wk = 0.0032468 k( 113) = ( 0.1989796 0.1989796 0.3979592), wk = 0.0032468 k( 114) = ( 0.1913265 0.1913265 0.3826531), wk = 0.0032468 k( 115) = ( 0.1836735 0.1836735 0.3673469), wk = 0.0032468 k( 116) = ( 0.1760204 0.1760204 0.3520408), wk = 0.0032468 k( 117) = ( 0.1683673 0.1683673 0.3367347), wk = 0.0032468 k( 118) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0032468 k( 119) = ( 0.1530612 0.1530612 0.3061224), wk = 0.0032468 k( 120) = ( 0.1454082 0.1454082 0.2908163), wk = 0.0032468 k( 121) = ( 0.1377551 0.1377551 0.2755102), wk = 0.0032468 k( 122) = ( 0.1301020 0.1301020 0.2602041), wk = 0.0032468 k( 123) = ( 0.1224490 0.1224490 0.2448980), wk = 0.0032468 k( 124) = ( 0.1147959 0.1147959 0.2295918), wk = 0.0032468 k( 125) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0032468 k( 126) = ( 0.0994898 0.0994898 0.1989796), wk = 0.0032468 k( 127) = ( 0.0918367 0.0918367 0.1836735), wk = 0.0032468 k( 128) = ( 0.0841837 0.0841837 0.1683673), wk = 0.0032468 k( 129) = ( 0.0765306 0.0765306 0.1530612), wk = 0.0032468 k( 130) = ( 0.0688775 0.0688775 0.1377551), wk = 0.0032468 k( 131) = ( 0.0612245 0.0612245 0.1224490), wk = 0.0032468 k( 132) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0032468 k( 133) = ( 0.0459184 0.0459184 0.0918367), wk = 0.0032468 k( 134) = ( 0.0382653 0.0382653 0.0765306), wk = 0.0032468 k( 135) = ( 0.0306122 0.0306122 0.0612245), wk = 0.0032468 k( 136) = ( 0.0229592 0.0229592 0.0459184), wk = 0.0032468 k( 137) = ( 0.0153061 0.0153061 0.0306122), wk = 0.0032468 k( 138) = ( 0.0076531 0.0076531 0.0153061), wk = 0.0032468 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 141) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0032468 k( 142) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0032468 k( 143) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0032468 k( 144) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0032468 k( 145) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0032468 k( 146) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0032468 k( 147) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0032468 k( 148) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0032468 k( 149) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0032468 k( 150) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032468 k( 151) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0032468 k( 152) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0032468 k( 153) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0032468 k( 154) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0032468 k( 155) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0032468 k( 156) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0032468 k( 157) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0032468 k( 158) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0032468 k( 159) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0032468 k( 160) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032468 k( 161) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0032468 k( 162) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0032468 k( 163) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0032468 k( 164) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0032468 k( 165) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0032468 k( 166) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0032468 k( 167) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0032468 k( 168) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0032468 k( 169) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0032468 k( 170) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032468 k( 171) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0032468 k( 172) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0032468 k( 173) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0032468 k( 174) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0032468 k( 175) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0032468 k( 176) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0032468 k( 177) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0032468 k( 178) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0032468 k( 179) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0032468 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032468 k( 181) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032468 k( 182) = ( 0.5044643 0.4910714 0.5044643), wk = 0.0032468 k( 183) = ( 0.5089286 0.4821429 0.5089286), wk = 0.0032468 k( 184) = ( 0.5133929 0.4732143 0.5133929), wk = 0.0032468 k( 185) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0032468 k( 186) = ( 0.5223214 0.4553571 0.5223214), wk = 0.0032468 k( 187) = ( 0.5267857 0.4464286 0.5267857), wk = 0.0032468 k( 188) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0032468 k( 189) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0032468 k( 190) = ( 0.5401786 0.4196429 0.5401786), wk = 0.0032468 k( 191) = ( 0.5446429 0.4107143 0.5446429), wk = 0.0032468 k( 192) = ( 0.5491071 0.4017857 0.5491071), wk = 0.0032468 k( 193) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0032468 k( 194) = ( 0.5580357 0.3839286 0.5580357), wk = 0.0032468 k( 195) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0032468 k( 196) = ( 0.5669643 0.3660714 0.5669643), wk = 0.0032468 k( 197) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0032468 k( 198) = ( 0.5758929 0.3482143 0.5758929), wk = 0.0032468 k( 199) = ( 0.5803571 0.3392857 0.5803571), wk = 0.0032468 k( 200) = ( 0.5848214 0.3303571 0.5848214), wk = 0.0032468 k( 201) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0032468 k( 202) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0032468 k( 203) = ( 0.5982143 0.3035714 0.5982143), wk = 0.0032468 k( 204) = ( 0.6026786 0.2946429 0.6026786), wk = 0.0032468 k( 205) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0032468 k( 206) = ( 0.6116071 0.2767857 0.6116071), wk = 0.0032468 k( 207) = ( 0.6160714 0.2678571 0.6160714), wk = 0.0032468 k( 208) = ( 0.6205357 0.2589286 0.6205357), wk = 0.0032468 k( 209) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0032468 k( 210) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0032468 k( 211) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0032468 k( 212) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0032468 k( 213) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0032468 k( 214) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0032468 k( 215) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0032468 k( 216) = ( 0.5808823 0.2500000 0.6691176), wk = 0.0032468 k( 217) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0032468 k( 218) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0032468 k( 219) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0032468 k( 220) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0032468 k( 221) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0032468 k( 222) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0032468 k( 223) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0032468 k( 224) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0032468 k( 225) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0032468 k( 226) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0032468 k( 227) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032468 k( 228) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032468 k( 229) = ( 0.5000000 0.2575758 0.7424242), wk = 0.0032468 k( 230) = ( 0.5000000 0.2651515 0.7348485), wk = 0.0032468 k( 231) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0032468 k( 232) = ( 0.5000000 0.2803030 0.7196970), wk = 0.0032468 k( 233) = ( 0.5000000 0.2878788 0.7121212), wk = 0.0032468 k( 234) = ( 0.5000000 0.2954545 0.7045454), wk = 0.0032468 k( 235) = ( 0.5000000 0.3030303 0.6969697), wk = 0.0032468 k( 236) = ( 0.5000000 0.3106061 0.6893939), wk = 0.0032468 k( 237) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0032468 k( 238) = ( 0.5000000 0.3257576 0.6742424), wk = 0.0032468 k( 239) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0032468 k( 240) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0032468 k( 241) = ( 0.5000000 0.3484849 0.6515151), wk = 0.0032468 k( 242) = ( 0.5000000 0.3560606 0.6439394), wk = 0.0032468 k( 243) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0032468 k( 244) = ( 0.5000000 0.3712121 0.6287879), wk = 0.0032468 k( 245) = ( 0.5000000 0.3787879 0.6212121), wk = 0.0032468 k( 246) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0032468 k( 247) = ( 0.5000000 0.3939394 0.6060606), wk = 0.0032468 k( 248) = ( 0.5000000 0.4015151 0.5984848), wk = 0.0032468 k( 249) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0032468 k( 250) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0032468 k( 251) = ( 0.5000000 0.4242424 0.5757576), wk = 0.0032468 k( 252) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0032468 k( 253) = ( 0.5000000 0.4393939 0.5606061), wk = 0.0032468 k( 254) = ( 0.5000000 0.4469697 0.5530303), wk = 0.0032468 k( 255) = ( 0.5000000 0.4545455 0.5454545), wk = 0.0032468 k( 256) = ( 0.5000000 0.4621212 0.5378788), wk = 0.0032468 k( 257) = ( 0.5000000 0.4696970 0.5303030), wk = 0.0032468 k( 258) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0032468 k( 259) = ( 0.5000000 0.4848485 0.5151515), wk = 0.0032468 k( 260) = ( 0.5000000 0.4924242 0.5075758), wk = 0.0032468 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032468 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032468 k( 263) = ( 0.4955357 0.4955357 0.5089286), wk = 0.0032468 k( 264) = ( 0.4910714 0.4910714 0.5178571), wk = 0.0032468 k( 265) = ( 0.4866071 0.4866071 0.5267857), wk = 0.0032468 k( 266) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0032468 k( 267) = ( 0.4776786 0.4776786 0.5446429), wk = 0.0032468 k( 268) = ( 0.4732143 0.4732143 0.5535714), wk = 0.0032468 k( 269) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0032468 k( 270) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0032468 k( 271) = ( 0.4598214 0.4598214 0.5803571), wk = 0.0032468 k( 272) = ( 0.4553571 0.4553571 0.5892857), wk = 0.0032468 k( 273) = ( 0.4508929 0.4508929 0.5982143), wk = 0.0032468 k( 274) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0032468 k( 275) = ( 0.4419643 0.4419643 0.6160714), wk = 0.0032468 k( 276) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0032468 k( 277) = ( 0.4330357 0.4330357 0.6339286), wk = 0.0032468 k( 278) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0032468 k( 279) = ( 0.4241071 0.4241071 0.6517857), wk = 0.0032468 k( 280) = ( 0.4196429 0.4196429 0.6607143), wk = 0.0032468 k( 281) = ( 0.4151786 0.4151786 0.6696429), wk = 0.0032468 k( 282) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0032468 k( 283) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0032468 k( 284) = ( 0.4017857 0.4017857 0.6964286), wk = 0.0032468 k( 285) = ( 0.3973214 0.3973214 0.7053571), wk = 0.0032468 k( 286) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0032468 k( 287) = ( 0.3883929 0.3883929 0.7232143), wk = 0.0032468 k( 288) = ( 0.3839286 0.3839286 0.7321429), wk = 0.0032468 k( 289) = ( 0.3794643 0.3794643 0.7410714), wk = 0.0032468 k( 290) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0032468 k( 291) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0032468 k( 292) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0032468 k( 293) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0032468 k( 294) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0032468 k( 295) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0032468 k( 296) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0032468 k( 297) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0032468 k( 298) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0032468 k( 299) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0032468 k( 300) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0032468 k( 301) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0032468 k( 302) = ( 0.5441177 0.0882353 0.5441176), wk = 0.0032468 k( 303) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0032468 k( 304) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0032468 k( 305) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0032468 k( 306) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0032468 k( 307) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0032468 k( 308) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032468 Dense grid: 81931 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 20395 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 154, 56) NL pseudopotentials 0.16 Mb ( 77, 136) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2276) G-vector shells 0.00 Mb ( 552) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 154, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.23 Mb ( 136, 2, 56) The potential is recalculated from file : ./YInAu2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.7 secs Computing kpt #: 13 total cpu time spent up to now is 10.2 secs Computing kpt #: 14 total cpu time spent up to now is 10.7 secs Computing kpt #: 15 total cpu time spent up to now is 11.3 secs Computing kpt #: 16 total cpu time spent up to now is 11.8 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 13.0 secs Computing kpt #: 19 total cpu time spent up to now is 13.6 secs Computing kpt #: 20 total cpu time spent up to now is 14.2 secs Computing kpt #: 21 total cpu time spent up to now is 14.8 secs Computing kpt #: 22 total cpu time spent up to now is 15.4 secs Computing kpt #: 23 total cpu time spent up to now is 16.0 secs Computing kpt #: 24 total cpu time spent up to now is 16.6 secs Computing kpt #: 25 total cpu time spent up to now is 17.2 secs Computing kpt #: 26 total cpu time spent up to now is 17.8 secs Computing kpt #: 27 total cpu time spent up to now is 18.4 secs Computing kpt #: 28 total cpu time spent up to now is 19.0 secs Computing kpt #: 29 total cpu time spent up to now is 19.5 secs Computing kpt #: 30 total cpu time spent up to now is 20.1 secs Computing kpt #: 31 total cpu time spent up to now is 20.7 secs Computing kpt #: 32 total cpu time spent up to now is 21.2 secs Computing kpt #: 33 total cpu time spent up to now is 21.8 secs Computing kpt #: 34 total cpu time spent up to now is 22.4 secs Computing kpt #: 35 total cpu time spent up to now is 22.9 secs Computing kpt #: 36 total cpu time spent up to now is 23.5 secs Computing kpt #: 37 total cpu time spent up to now is 24.1 secs Computing kpt #: 38 total cpu time spent up to now is 24.6 secs Computing kpt #: 39 total cpu time spent up to now is 25.2 secs Computing kpt #: 40 total cpu time spent up to now is 25.7 secs Computing kpt #: 41 total cpu time spent up to now is 26.3 secs Computing kpt #: 42 total cpu time spent up to now is 26.8 secs Computing kpt #: 43 total cpu time spent up to now is 27.3 secs Computing kpt #: 44 total cpu time spent up to now is 27.9 secs Computing kpt #: 45 total cpu time spent up to now is 28.4 secs Computing kpt #: 46 total cpu time spent up to now is 28.9 secs Computing kpt #: 47 total cpu time spent up to now is 29.5 secs Computing kpt #: 48 total cpu time spent up to now is 30.0 secs Computing kpt #: 49 total cpu time spent up to now is 30.5 secs Computing kpt #: 50 total cpu time spent up to now is 31.1 secs Computing kpt #: 51 total cpu time spent up to now is 31.6 secs Computing kpt #: 52 total cpu time spent up to now is 32.1 secs Computing kpt #: 53 total cpu time spent up to now is 32.7 secs Computing kpt #: 54 total cpu time spent up to now is 33.2 secs Computing kpt #: 55 total cpu time spent up to now is 33.8 secs Computing kpt #: 56 total cpu time spent up to now is 34.4 secs Computing kpt #: 57 total cpu time spent up to now is 34.9 secs Computing kpt #: 58 total cpu time spent up to now is 35.5 secs Computing kpt #: 59 total cpu time spent up to now is 36.1 secs Computing kpt #: 60 total cpu time spent up to now is 36.6 secs Computing kpt #: 61 total cpu time spent up to now is 37.2 secs Computing kpt #: 62 total cpu time spent up to now is 37.7 secs Computing kpt #: 63 total cpu time spent up to now is 38.3 secs Computing kpt #: 64 total cpu time spent up to now is 38.8 secs Computing kpt #: 65 total cpu time spent up to now is 39.3 secs Computing kpt #: 66 total cpu time spent up to now is 39.8 secs Computing kpt #: 67 total cpu time spent up to now is 40.2 secs Computing kpt #: 68 total cpu time spent up to now is 40.7 secs Computing kpt #: 69 total cpu time spent up to now is 41.2 secs Computing kpt #: 70 total cpu time spent up to now is 41.7 secs Computing kpt #: 71 total cpu time spent up to now is 42.1 secs Computing kpt #: 72 total cpu time spent up to now is 42.6 secs Computing kpt #: 73 total cpu time spent up to now is 43.1 secs Computing kpt #: 74 total cpu time spent up to now is 43.6 secs Computing kpt #: 75 total cpu time spent up to now is 44.0 secs Computing kpt #: 76 total cpu time spent up to now is 44.5 secs Computing kpt #: 77 total cpu time spent up to now is 45.0 secs Computing kpt #: 78 total cpu time spent up to now is 45.5 secs Computing kpt #: 79 total cpu time spent up to now is 46.0 secs Computing kpt #: 80 total cpu time spent up to now is 46.5 secs Computing kpt #: 81 total cpu time spent up to now is 46.9 secs Computing kpt #: 82 total cpu time spent up to now is 47.4 secs Computing kpt #: 83 total cpu time spent up to now is 48.0 secs Computing kpt #: 84 total cpu time spent up to now is 48.5 secs Computing kpt #: 85 total cpu time spent up to now is 49.1 secs Computing kpt #: 86 total cpu time spent up to now is 49.6 secs Computing kpt #: 87 total cpu time spent up to now is 50.2 secs Computing kpt #: 88 total cpu time spent up to now is 50.7 secs Computing kpt #: 89 total cpu time spent up to now is 51.3 secs Computing kpt #: 90 total cpu time spent up to now is 51.8 secs Computing kpt #: 91 total cpu time spent up to now is 52.4 secs Computing kpt #: 92 total cpu time spent up to now is 52.9 secs Computing kpt #: 93 total cpu time spent up to now is 53.4 secs Computing kpt #: 94 total cpu time spent up to now is 53.9 secs Computing kpt #: 95 total cpu time spent up to now is 54.4 secs Computing kpt #: 96 total cpu time spent up to now is 54.9 secs Computing kpt #: 97 total cpu time spent up to now is 55.3 secs Computing kpt #: 98 total cpu time spent up to now is 55.8 secs Computing kpt #: 99 total cpu time spent up to now is 56.4 secs Computing kpt #: 100 total cpu time spent up to now is 57.0 secs Computing kpt #: 101 total cpu time spent up to now is 57.7 secs Computing kpt #: 102 total cpu time spent up to now is 58.3 secs Computing kpt #: 103 total cpu time spent up to now is 58.9 secs Computing kpt #: 104 total cpu time spent up to now is 59.5 secs Computing kpt #: 105 total cpu time spent up to now is 60.0 secs Computing kpt #: 106 total cpu time spent up to now is 60.5 secs Computing kpt #: 107 total cpu time spent up to now is 61.0 secs Computing kpt #: 108 total cpu time spent up to now is 61.5 secs Computing kpt #: 109 total cpu time spent up to now is 62.1 secs Computing kpt #: 110 total cpu time spent up to now is 62.6 secs Computing kpt #: 111 total cpu time spent up to now is 63.1 secs Computing kpt #: 112 total cpu time spent up to now is 63.5 secs Computing kpt #: 113 total cpu time spent up to now is 64.0 secs Computing kpt #: 114 total cpu time spent up to now is 64.5 secs Computing kpt #: 115 total cpu time spent up to now is 65.1 secs Computing kpt #: 116 total cpu time spent up to now is 65.7 secs Computing kpt #: 117 total cpu time spent up to now is 66.4 secs Computing kpt #: 118 total cpu time spent up to now is 67.0 secs Computing kpt #: 119 total cpu time spent up to now is 67.6 secs Computing kpt #: 120 total cpu time spent up to now is 68.2 secs Computing kpt #: 121 total cpu time spent up to now is 68.9 secs Computing kpt #: 122 total cpu time spent up to now is 69.6 secs Computing kpt #: 123 total cpu time spent up to now is 70.2 secs Computing kpt #: 124 total cpu time spent up to now is 70.8 secs Computing kpt #: 125 total cpu time spent up to now is 71.3 secs Computing kpt #: 126 total cpu time spent up to now is 71.9 secs Computing kpt #: 127 total cpu time spent up to now is 72.5 secs Computing kpt #: 128 total cpu time spent up to now is 73.0 secs Computing kpt #: 129 total cpu time spent up to now is 73.5 secs Computing kpt #: 130 total cpu time spent up to now is 74.1 secs Computing kpt #: 131 total cpu time spent up to now is 74.6 secs Computing kpt #: 132 total cpu time spent up to now is 75.1 secs Computing kpt #: 133 total cpu time spent up to now is 75.6 secs Computing kpt #: 134 total cpu time spent up to now is 76.2 secs Computing kpt #: 135 total cpu time spent up to now is 76.8 secs Computing kpt #: 136 total cpu time spent up to now is 77.3 secs Computing kpt #: 137 total cpu time spent up to now is 77.9 secs Computing kpt #: 138 total cpu time spent up to now is 78.4 secs Computing kpt #: 139 total cpu time spent up to now is 78.9 secs Computing kpt #: 140 total cpu time spent up to now is 79.4 secs Computing kpt #: 141 total cpu time spent up to now is 80.0 secs Computing kpt #: 142 total cpu time spent up to now is 80.5 secs Computing kpt #: 143 total cpu time spent up to now is 81.1 secs Computing kpt #: 144 total cpu time spent up to now is 81.6 secs Computing kpt #: 145 total cpu time spent up to now is 82.1 secs Computing kpt #: 146 total cpu time spent up to now is 82.6 secs Computing kpt #: 147 total cpu time spent up to now is 83.1 secs Computing kpt #: 148 total cpu time spent up to now is 83.6 secs Computing kpt #: 149 total cpu time spent up to now is 84.1 secs Computing kpt #: 150 total cpu time spent up to now is 84.6 secs Computing kpt #: 151 total cpu time spent up to now is 85.1 secs Computing kpt #: 152 total cpu time spent up to now is 85.6 secs Computing kpt #: 153 total cpu time spent up to now is 86.1 secs Computing kpt #: 154 total cpu time spent up to now is 86.6 secs Computing kpt #: 155 total cpu time spent up to now is 87.2 secs Computing kpt #: 156 total cpu time spent up to now is 87.8 secs Computing kpt #: 157 total cpu time spent up to now is 88.4 secs Computing kpt #: 158 total cpu time spent up to now is 89.0 secs Computing kpt #: 159 total cpu time spent up to now is 89.6 secs Computing kpt #: 160 total cpu time spent up to now is 90.1 secs Computing kpt #: 161 total cpu time spent up to now is 90.6 secs Computing kpt #: 162 total cpu time spent up to now is 91.1 secs Computing kpt #: 163 total cpu time spent up to now is 91.7 secs Computing kpt #: 164 total cpu time spent up to now is 92.3 secs Computing kpt #: 165 total cpu time spent up to now is 92.8 secs Computing kpt #: 166 total cpu time spent up to now is 93.4 secs Computing kpt #: 167 total cpu time spent up to now is 94.0 secs Computing kpt #: 168 total cpu time spent up to now is 94.5 secs Computing kpt #: 169 total cpu time spent up to now is 95.1 secs Computing kpt #: 170 total cpu time spent up to now is 95.6 secs Computing kpt #: 171 total cpu time spent up to now is 96.1 secs Computing kpt #: 172 total cpu time spent up to now is 96.7 secs Computing kpt #: 173 total cpu time spent up to now is 97.1 secs Computing kpt #: 174 total cpu time spent up to now is 97.6 secs Computing kpt #: 175 total cpu time spent up to now is 98.1 secs Computing kpt #: 176 total cpu time spent up to now is 98.5 secs Computing kpt #: 177 total cpu time spent up to now is 99.0 secs Computing kpt #: 178 total cpu time spent up to now is 99.4 secs Computing kpt #: 179 total cpu time spent up to now is 99.9 secs Computing kpt #: 180 total cpu time spent up to now is 100.3 secs Computing kpt #: 181 total cpu time spent up to now is 100.7 secs Computing kpt #: 182 total cpu time spent up to now is 101.2 secs Computing kpt #: 183 total cpu time spent up to now is 101.7 secs Computing kpt #: 184 total cpu time spent up to now is 102.2 secs Computing kpt #: 185 total cpu time spent up to now is 102.7 secs Computing kpt #: 186 total cpu time spent up to now is 103.3 secs Computing kpt #: 187 total cpu time spent up to now is 103.9 secs Computing kpt #: 188 total cpu time spent up to now is 104.5 secs Computing kpt #: 189 total cpu time spent up to now is 105.2 secs Computing kpt #: 190 total cpu time spent up to now is 105.8 secs Computing kpt #: 191 total cpu time spent up to now is 106.5 secs Computing kpt #: 192 total cpu time spent up to now is 107.2 secs Computing kpt #: 193 total cpu time spent up to now is 107.9 secs Computing kpt #: 194 total cpu time spent up to now is 108.4 secs Computing kpt #: 195 total cpu time spent up to now is 109.0 secs Computing kpt #: 196 total cpu time spent up to now is 109.6 secs Computing kpt #: 197 total cpu time spent up to now is 110.1 secs Computing kpt #: 198 total cpu time spent up to now is 110.7 secs Computing kpt #: 199 total cpu time spent up to now is 111.3 secs Computing kpt #: 200 total cpu time spent up to now is 111.8 secs Computing kpt #: 201 total cpu time spent up to now is 112.3 secs Computing kpt #: 202 total cpu time spent up to now is 112.8 secs Computing kpt #: 203 total cpu time spent up to now is 113.3 secs Computing kpt #: 204 total cpu time spent up to now is 113.8 secs Computing kpt #: 205 total cpu time spent up to now is 114.3 secs Computing kpt #: 206 total cpu time spent up to now is 114.9 secs Computing kpt #: 207 total cpu time spent up to now is 115.4 secs Computing kpt #: 208 total cpu time spent up to now is 116.0 secs Computing kpt #: 209 total cpu time spent up to now is 116.5 secs Computing kpt #: 210 total cpu time spent up to now is 117.1 secs Computing kpt #: 211 total cpu time spent up to now is 117.6 secs Computing kpt #: 212 total cpu time spent up to now is 118.2 secs Computing kpt #: 213 total cpu time spent up to now is 118.7 secs Computing kpt #: 214 total cpu time spent up to now is 119.3 secs Computing kpt #: 215 total cpu time spent up to now is 119.8 secs Computing kpt #: 216 total cpu time spent up to now is 120.3 secs Computing kpt #: 217 total cpu time spent up to now is 120.8 secs Computing kpt #: 218 total cpu time spent up to now is 121.3 secs Computing kpt #: 219 total cpu time spent up to now is 121.8 secs Computing kpt #: 220 total cpu time spent up to now is 122.2 secs Computing kpt #: 221 total cpu time spent up to now is 122.7 secs Computing kpt #: 222 total cpu time spent up to now is 123.2 secs Computing kpt #: 223 total cpu time spent up to now is 123.7 secs Computing kpt #: 224 total cpu time spent up to now is 124.2 secs Computing kpt #: 225 total cpu time spent up to now is 124.6 secs Computing kpt #: 226 total cpu time spent up to now is 125.1 secs Computing kpt #: 227 total cpu time spent up to now is 125.6 secs Computing kpt #: 228 total cpu time spent up to now is 126.1 secs Computing kpt #: 229 total cpu time spent up to now is 126.5 secs Computing kpt #: 230 total cpu time spent up to now is 127.0 secs Computing kpt #: 231 total cpu time spent up to now is 127.5 secs Computing kpt #: 232 total cpu time spent up to now is 127.9 secs Computing kpt #: 233 total cpu time spent up to now is 128.4 secs Computing kpt #: 234 total cpu time spent up to now is 128.9 secs Computing kpt #: 235 total cpu time spent up to now is 129.4 secs Computing kpt #: 236 total cpu time spent up to now is 129.9 secs Computing kpt #: 237 total cpu time spent up to now is 130.4 secs Computing kpt #: 238 total cpu time spent up to now is 130.9 secs Computing kpt #: 239 total cpu time spent up to now is 131.4 secs Computing kpt #: 240 total cpu time spent up to now is 131.9 secs Computing kpt #: 241 total cpu time spent up to now is 132.4 secs Computing kpt #: 242 total cpu time spent up to now is 132.9 secs Computing kpt #: 243 total cpu time spent up to now is 133.4 secs Computing kpt #: 244 total cpu time spent up to now is 133.9 secs Computing kpt #: 245 total cpu time spent up to now is 134.4 secs Computing kpt #: 246 total cpu time spent up to now is 134.9 secs Computing kpt #: 247 total cpu time spent up to now is 135.5 secs Computing kpt #: 248 total cpu time spent up to now is 136.1 secs Computing kpt #: 249 total cpu time spent up to now is 136.7 secs Computing kpt #: 250 total cpu time spent up to now is 137.3 secs Computing kpt #: 251 total cpu time spent up to now is 137.9 secs Computing kpt #: 252 total cpu time spent up to now is 138.5 secs Computing kpt #: 253 total cpu time spent up to now is 139.0 secs Computing kpt #: 254 total cpu time spent up to now is 139.6 secs Computing kpt #: 255 total cpu time spent up to now is 140.2 secs Computing kpt #: 256 total cpu time spent up to now is 140.8 secs Computing kpt #: 257 total cpu time spent up to now is 141.3 secs Computing kpt #: 258 total cpu time spent up to now is 141.8 secs Computing kpt #: 259 total cpu time spent up to now is 142.2 secs Computing kpt #: 260 total cpu time spent up to now is 142.7 secs Computing kpt #: 261 total cpu time spent up to now is 143.1 secs Computing kpt #: 262 total cpu time spent up to now is 143.6 secs Computing kpt #: 263 total cpu time spent up to now is 144.0 secs Computing kpt #: 264 total cpu time spent up to now is 144.5 secs Computing kpt #: 265 total cpu time spent up to now is 145.0 secs Computing kpt #: 266 total cpu time spent up to now is 145.6 secs Computing kpt #: 267 total cpu time spent up to now is 146.2 secs Computing kpt #: 268 total cpu time spent up to now is 146.8 secs Computing kpt #: 269 total cpu time spent up to now is 147.4 secs Computing kpt #: 270 total cpu time spent up to now is 148.0 secs Computing kpt #: 271 total cpu time spent up to now is 148.7 secs Computing kpt #: 272 total cpu time spent up to now is 149.4 secs Computing kpt #: 273 total cpu time spent up to now is 150.1 secs Computing kpt #: 274 total cpu time spent up to now is 150.7 secs Computing kpt #: 275 total cpu time spent up to now is 151.3 secs Computing kpt #: 276 total cpu time spent up to now is 152.0 secs Computing kpt #: 277 total cpu time spent up to now is 152.8 secs Computing kpt #: 278 total cpu time spent up to now is 153.4 secs Computing kpt #: 279 total cpu time spent up to now is 153.9 secs Computing kpt #: 280 total cpu time spent up to now is 154.5 secs Computing kpt #: 281 total cpu time spent up to now is 155.0 secs Computing kpt #: 282 total cpu time spent up to now is 155.5 secs Computing kpt #: 283 total cpu time spent up to now is 156.0 secs Computing kpt #: 284 total cpu time spent up to now is 156.5 secs Computing kpt #: 285 total cpu time spent up to now is 157.0 secs Computing kpt #: 286 total cpu time spent up to now is 157.5 secs Computing kpt #: 287 total cpu time spent up to now is 158.0 secs Computing kpt #: 288 total cpu time spent up to now is 158.6 secs Computing kpt #: 289 total cpu time spent up to now is 159.1 secs Computing kpt #: 290 total cpu time spent up to now is 159.7 secs Computing kpt #: 291 total cpu time spent up to now is 160.2 secs Computing kpt #: 292 total cpu time spent up to now is 160.8 secs Computing kpt #: 293 total cpu time spent up to now is 161.3 secs Computing kpt #: 294 total cpu time spent up to now is 161.9 secs Computing kpt #: 295 total cpu time spent up to now is 162.4 secs Computing kpt #: 296 total cpu time spent up to now is 163.0 secs Computing kpt #: 297 total cpu time spent up to now is 163.6 secs Computing kpt #: 298 total cpu time spent up to now is 164.1 secs Computing kpt #: 299 total cpu time spent up to now is 164.7 secs Computing kpt #: 300 total cpu time spent up to now is 165.3 secs Computing kpt #: 301 total cpu time spent up to now is 165.8 secs Computing kpt #: 302 total cpu time spent up to now is 166.4 secs Computing kpt #: 303 total cpu time spent up to now is 166.9 secs Computing kpt #: 304 total cpu time spent up to now is 167.5 secs Computing kpt #: 305 total cpu time spent up to now is 168.0 secs Computing kpt #: 306 total cpu time spent up to now is 168.5 secs Computing kpt #: 307 total cpu time spent up to now is 169.1 secs Computing kpt #: 308 total cpu time spent up to now is 169.6 secs ethr = 2.17E-08, avg # of iterations = 22.2 total cpu time spent up to now is 169.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): -28.4609 -28.4609 -9.5031 -9.5031 -8.0770 -8.0770 -8.0770 -8.0770 -0.9323 -0.9323 -0.9323 -0.9323 -0.0963 -0.0963 -0.0869 -0.0869 -0.0869 -0.0869 4.9692 4.9692 8.2685 8.2685 8.2685 8.2685 8.2850 8.2850 8.2850 8.2850 9.1334 9.1334 9.9229 9.9229 9.9229 9.9229 10.5032 10.5032 10.8361 10.8361 10.8361 10.8361 13.3774 13.3774 14.1342 14.1342 14.1342 14.1342 14.9140 14.9140 15.9857 15.9857 16.7146 16.7146 17.0722 17.0722 17.0722 17.0722 k = 0.0109-0.0063 0.0089 ( 2637 PWs) bands (ev): -28.4609 -28.4609 -9.5032 -9.5032 -8.0770 -8.0770 -8.0770 -8.0770 -0.9323 -0.9323 -0.9323 -0.9323 -0.0963 -0.0963 -0.0869 -0.0869 -0.0869 -0.0869 4.9711 4.9711 8.2612 8.2612 8.2683 8.2683 8.2858 8.2858 8.2924 8.2924 9.1332 9.1332 9.9228 9.9228 9.9231 9.9231 10.5031 10.5031 10.8335 10.8335 10.8359 10.8359 13.3732 13.3732 14.1153 14.1153 14.1304 14.1304 14.9396 14.9396 15.9734 15.9734 16.7139 16.7139 17.0548 17.0548 17.0712 17.0712 k = 0.0217-0.0126 0.0177 ( 2637 PWs) bands (ev): -28.4609 -28.4609 -9.5032 -9.5032 -8.0772 -8.0772 -8.0770 -8.0770 -0.9324 -0.9324 -0.9323 -0.9323 -0.0963 -0.0963 -0.0869 -0.0869 -0.0868 -0.0868 4.9767 4.9767 8.2490 8.2490 8.2676 8.2676 8.2881 8.2881 8.3048 8.3048 9.1325 9.1325 9.9227 9.9227 9.9237 9.9237 10.5027 10.5027 10.8259 10.8259 10.8354 10.8354 13.3608 13.3608 14.0652 14.0652 14.1192 14.1192 15.0099 15.0099 15.9368 15.9368 16.7107 16.7107 17.0274 17.0274 17.0685 17.0685 k = 0.0326-0.0188 0.0266 ( 2625 PWs) bands (ev): -28.4608 -28.4608 -9.5032 -9.5032 -8.0773 -8.0773 -8.0771 -8.0771 -0.9324 -0.9324 -0.9321 -0.9321 -0.0963 -0.0963 -0.0868 -0.0868 -0.0866 -0.0866 4.9860 4.9860 8.2361 8.2361 8.2669 8.2669 8.2915 8.2915 8.3181 8.3181 9.1314 9.1314 9.9225 9.9225 9.9247 9.9247 10.5021 10.5021 10.8133 10.8133 10.8346 10.8346 13.3403 13.3403 13.9966 13.9966 14.1011 14.1011 15.1120 15.1120 15.8777 15.8777 16.7031 16.7031 17.0180 17.0180 17.0639 17.0639 k = 0.0435-0.0251 0.0355 ( 2609 PWs) bands (ev): -28.4608 -28.4608 -9.5033 -9.5033 -8.0776 -8.0776 -8.0771 -8.0771 -0.9324 -0.9324 -0.9320 -0.9320 -0.0962 -0.0962 -0.0868 -0.0868 -0.0864 -0.0864 4.9991 4.9991 8.2229 8.2229 8.2664 8.2664 8.2958 8.2958 8.3318 8.3318 9.1298 9.1298 9.9222 9.9222 9.9262 9.9262 10.5011 10.5011 10.7958 10.7958 10.8335 10.8335 13.3121 13.3121 13.9199 13.9199 14.0764 14.0764 15.2353 15.2353 15.7989 15.7989 16.6925 16.6925 17.0343 17.0343 17.0575 17.0575 k = 0.0543-0.0314 0.0444 ( 2597 PWs) bands (ev): -28.4608 -28.4608 -9.5034 -9.5034 -8.0779 -8.0779 -8.0772 -8.0772 -0.9324 -0.9324 -0.9318 -0.9318 -0.0962 -0.0962 -0.0867 -0.0867 -0.0861 -0.0861 5.0158 5.0158 8.2093 8.2093 8.2662 8.2662 8.3008 8.3008 8.3459 8.3459 9.1280 9.1280 9.9218 9.9218 9.9280 9.9280 10.4999 10.4999 10.7736 10.7736 10.8321 10.8321 13.2769 13.2769 13.8415 13.8415 14.0460 14.0460 15.3731 15.3731 15.7043 15.7043 16.6826 16.6826 17.0494 17.0494 17.0733 17.0733 k = 0.0652-0.0377 0.0532 ( 2601 PWs) bands (ev): -28.4607 -28.4607 -9.5035 -9.5035 -8.0783 -8.0783 -8.0773 -8.0773 -0.9324 -0.9324 -0.9315 -0.9315 -0.0961 -0.0961 -0.0866 -0.0866 -0.0857 -0.0857 5.0362 5.0362 8.1953 8.1953 8.2663 8.2663 8.3065 8.3065 8.3603 8.3603 9.1260 9.1260 9.9212 9.9212 9.9302 9.9302 10.4982 10.4982 10.7468 10.7468 10.8305 10.8305 13.2355 13.2355 13.7648 13.7648 14.0106 14.0106 15.5214 15.5214 15.5979 15.5979 16.6764 16.6764 17.0396 17.0396 17.1302 17.1302 k = 0.0761-0.0439 0.0621 ( 2577 PWs) bands (ev): -28.4607 -28.4607 -9.5037 -9.5037 -8.0788 -8.0788 -8.0774 -8.0774 -0.9324 -0.9324 -0.9312 -0.9312 -0.0961 -0.0961 -0.0864 -0.0864 -0.0853 -0.0853 5.0603 5.0603 8.1809 8.1809 8.2669 8.2669 8.3126 8.3126 8.3751 8.3751 9.1239 9.1239 9.9203 9.9203 9.9327 9.9327 10.4961 10.4961 10.7157 10.7157 10.8286 10.8286 13.1892 13.1892 13.6915 13.6915 13.9711 13.9711 15.4832 15.4832 15.6777 15.6777 16.6750 16.6750 17.0282 17.0282 17.2011 17.2011 k = 0.0870-0.0502 0.0710 ( 2577 PWs) bands (ev): -28.4607 -28.4607 -9.5039 -9.5039 -8.0793 -8.0793 -8.0775 -8.0775 -0.9325 -0.9325 -0.9309 -0.9309 -0.0960 -0.0960 -0.0863 -0.0863 -0.0849 -0.0849 5.0879 5.0879 8.1659 8.1659 8.2679 8.2679 8.3193 8.3193 8.3902 8.3902 9.1218 9.1218 9.9191 9.9191 9.9356 9.9356 10.4934 10.4934 10.6809 10.6809 10.8265 10.8265 13.1391 13.1391 13.6221 13.6221 13.9283 13.9283 15.3629 15.3629 15.8403 15.8403 16.6785 16.6785 17.0152 17.0152 17.2831 17.2831 k = 0.0978-0.0565 0.0799 ( 2577 PWs) bands (ev): -28.4606 -28.4606 -9.5040 -9.5040 -8.0799 -8.0799 -8.0776 -8.0776 -0.9325 -0.9325 -0.9306 -0.9306 -0.0960 -0.0960 -0.0861 -0.0861 -0.0844 -0.0844 5.1191 5.1191 8.1503 8.1503 8.2692 8.2692 8.3264 8.3264 8.4057 8.4057 9.1198 9.1198 9.9176 9.9176 9.9389 9.9389 10.4896 10.4896 10.6431 10.6431 10.8242 10.8242 13.0867 13.0867 13.5565 13.5565 13.8831 13.8831 15.2390 15.2390 16.0080 16.0080 16.6864 16.6864 17.0007 17.0007 17.3745 17.3745 k = 0.1087-0.0628 0.0887 ( 2573 PWs) bands (ev): -28.4606 -28.4606 -9.5042 -9.5042 -8.0805 -8.0805 -8.0777 -8.0777 -0.9325 -0.9325 -0.9302 -0.9302 -0.0960 -0.0960 -0.0859 -0.0859 -0.0839 -0.0839 5.1537 5.1537 8.1341 8.1341 8.2710 8.2710 8.3338 8.3338 8.4214 8.4214 9.1181 9.1181 9.9155 9.9155 9.9424 9.9424 10.4841 10.4841 10.6034 10.6034 10.8217 10.8217 13.0334 13.0334 13.4946 13.4946 13.8360 13.8360 15.1131 15.1131 16.1800 16.1800 16.6984 16.6984 16.9847 16.9847 17.4738 17.4738 k = 0.1196-0.0690 0.0976 ( 2577 PWs) bands (ev): -28.4605 -28.4605 -9.5044 -9.5044 -8.0812 -8.0812 -8.0779 -8.0779 -0.9326 -0.9326 -0.9298 -0.9298 -0.0960 -0.0960 -0.0856 -0.0856 -0.0834 -0.0834 5.1918 5.1918 8.1172 8.1172 8.2732 8.2732 8.3416 8.3416 8.4374 8.4374 9.1169 9.1169 9.9127 9.9127 9.9463 9.9463 10.4747 10.4747 10.5643 10.5643 10.8191 10.8191 12.9803 12.9803 13.4357 13.4357 13.7879 13.7879 14.9859 14.9859 16.3555 16.3555 16.7139 16.7139 16.9673 16.9673 17.5798 17.5798 k = 0.1304-0.0753 0.1065 ( 2585 PWs) bands (ev): -28.4605 -28.4605 -9.5047 -9.5047 -8.0819 -8.0819 -8.0780 -8.0780 -0.9326 -0.9326 -0.9294 -0.9294 -0.0960 -0.0960 -0.0853 -0.0853 -0.0829 -0.0829 5.2333 5.2333 8.0995 8.0995 8.2757 8.2757 8.3496 8.3496 8.4537 8.4537 9.1161 9.1161 9.9091 9.9091 9.9504 9.9504 10.4564 10.4564 10.5317 10.5317 10.8165 10.8165 12.9283 12.9283 13.3797 13.3797 13.7393 13.7393 14.8583 14.8583 16.5340 16.5340 16.7326 16.7326 16.9486 16.9486 17.6913 17.6913 k = 0.1413-0.0816 0.1154 ( 2585 PWs) bands (ev): -28.4605 -28.4605 -9.5049 -9.5049 -8.0826 -8.0826 -8.0782 -8.0782 -0.9327 -0.9327 -0.9290 -0.9290 -0.0960 -0.0960 -0.0850 -0.0850 -0.0824 -0.0824 5.2780 5.2780 8.0810 8.0810 8.2785 8.2785 8.3577 8.3577 8.4701 8.4701 9.1161 9.1161 9.9043 9.9043 9.9548 9.9548 10.4242 10.4242 10.5112 10.5112 10.8138 10.8138 12.8781 12.8781 13.3262 13.3262 13.6906 13.6906 14.7306 14.7306 16.7149 16.7149 16.7542 16.7542 16.9288 16.9288 17.8073 17.8073 k = 0.1522-0.0879 0.1242 ( 2585 PWs) bands (ev): -28.4604 -28.4604 -9.5052 -9.5052 -8.0834 -8.0834 -8.0784 -8.0784 -0.9327 -0.9327 -0.9286 -0.9286 -0.0960 -0.0960 -0.0846 -0.0846 -0.0818 -0.0818 5.3260 5.3260 8.0618 8.0618 8.2817 8.2817 8.3658 8.3658 8.4867 8.4867 9.1168 9.1168 9.8981 9.8981 9.9595 9.9595 10.3817 10.3817 10.4999 10.4999 10.8111 10.8111 12.8301 12.8301 13.2751 13.2751 13.6425 13.6425 14.6032 14.6032 16.7785 16.7785 16.8942 16.8942 16.9112 16.9112 17.9267 17.9267 k = 0.1630-0.0941 0.1331 ( 2585 PWs) bands (ev): -28.4604 -28.4604 -9.5054 -9.5054 -8.0842 -8.0842 -8.0785 -8.0785 -0.9328 -0.9328 -0.9282 -0.9282 -0.0961 -0.0961 -0.0842 -0.0842 -0.0813 -0.0813 5.3770 5.3770 8.0418 8.0418 8.2851 8.2851 8.3739 8.3739 8.5033 8.5033 9.1183 9.1183 9.8900 9.8900 9.9643 9.9643 10.3352 10.3352 10.4925 10.4925 10.8085 10.8085 12.7847 12.7847 13.2263 13.2263 13.5952 13.5952 14.4761 14.4761 16.8052 16.8052 16.8850 16.8850 17.0824 17.0824 18.0479 18.0479 k = 0.1739-0.1004 0.1420 ( 2577 PWs) bands (ev): -28.4603 -28.4603 -9.5057 -9.5057 -8.0851 -8.0851 -8.0787 -8.0787 -0.9329 -0.9329 -0.9278 -0.9278 -0.0961 -0.0961 -0.0838 -0.0838 -0.0809 -0.0809 5.4310 5.4310 8.0211 8.0211 8.2888 8.2888 8.3819 8.3819 8.5199 8.5199 9.1208 9.1208 9.8794 9.8794 9.9693 9.9693 10.2883 10.2883 10.4865 10.4865 10.8059 10.8059 12.7419 12.7419 13.1798 13.1798 13.5491 13.5491 14.3496 14.3496 16.8343 16.8343 16.8620 16.8620 17.2674 17.2674 18.1690 18.1690 k = 0.1848-0.1067 0.1509 ( 2577 PWs) bands (ev): -28.4602 -28.4602 -9.5060 -9.5060 -8.0859 -8.0859 -8.0789 -8.0789 -0.9329 -0.9329 -0.9275 -0.9275 -0.0962 -0.0962 -0.0834 -0.0834 -0.0804 -0.0804 5.4879 5.4879 7.9998 7.9998 8.2927 8.2927 8.3895 8.3895 8.5364 8.5364 9.1243 9.1243 9.8657 9.8657 9.9745 9.9745 10.2429 10.2429 10.4811 10.4811 10.8034 10.8034 12.7019 12.7019 13.1355 13.1355 13.5044 13.5044 14.2235 14.2235 16.8381 16.8381 16.8655 16.8655 17.4530 17.4530 18.2871 18.2871 k = 0.1957-0.1130 0.1597 ( 2573 PWs) bands (ev): -28.4602 -28.4602 -9.5063 -9.5063 -8.0868 -8.0868 -8.0791 -8.0791 -0.9330 -0.9330 -0.9271 -0.9271 -0.0963 -0.0963 -0.0829 -0.0829 -0.0800 -0.0800 5.5475 5.5475 7.9780 7.9780 8.2969 8.2969 8.3968 8.3968 8.5528 8.5528 9.1289 9.1289 9.8483 9.8483 9.9797 9.9797 10.2006 10.2006 10.4758 10.4758 10.8010 10.8010 12.6644 12.6644 13.0936 13.0936 13.4615 13.4615 14.0980 14.0980 16.8134 16.8134 16.8987 16.8987 17.6385 17.6385 18.3977 18.3977 k = 0.2065-0.1192 0.1686 ( 2573 PWs) bands (ev): -28.4601 -28.4601 -9.5065 -9.5065 -8.0877 -8.0877 -8.0793 -8.0793 -0.9331 -0.9331 -0.9268 -0.9268 -0.0965 -0.0965 -0.0824 -0.0824 -0.0796 -0.0796 5.6097 5.6097 7.9558 7.9558 8.3012 8.3012 8.4034 8.4034 8.5691 8.5691 9.1344 9.1344 9.8266 9.8266 9.9851 9.9851 10.1626 10.1626 10.4706 10.4706 10.7988 10.7988 12.6296 12.6296 13.0542 13.0542 13.4205 13.4205 13.9730 13.9730 16.7881 16.7881 16.9337 16.9337 17.8235 17.8235 18.4929 18.4929 k = 0.2174-0.1255 0.1775 ( 2573 PWs) bands (ev): -28.4601 -28.4601 -9.5068 -9.5068 -8.0885 -8.0885 -8.0796 -8.0796 -0.9332 -0.9332 -0.9265 -0.9265 -0.0966 -0.0966 -0.0819 -0.0819 -0.0793 -0.0793 5.6742 5.6742 7.9334 7.9334 8.3056 8.3056 8.4093 8.4093 8.5851 8.5851 9.1410 9.1410 9.8005 9.8005 9.9904 9.9904 10.1297 10.1297 10.4653 10.4653 10.7968 10.7968 12.5971 12.5971 13.0173 13.0173 13.3815 13.3815 13.8486 13.8486 16.7622 16.7622 16.9704 16.9704 18.0072 18.0072 18.5597 18.5597 k = 0.2283-0.1318 0.1864 ( 2557 PWs) bands (ev): -28.4600 -28.4600 -9.5071 -9.5071 -8.0894 -8.0894 -8.0798 -8.0798 -0.9333 -0.9333 -0.9262 -0.9262 -0.0968 -0.0968 -0.0814 -0.0814 -0.0790 -0.0790 5.7409 5.7409 7.9109 7.9109 8.3102 8.3102 8.4144 8.4144 8.6008 8.6008 9.1486 9.1486 9.7702 9.7702 9.9958 9.9958 10.1020 10.1020 10.4598 10.4598 10.7951 10.7951 12.5670 12.5670 12.9829 12.9829 13.3446 13.3446 13.7247 13.7247 16.7360 16.7360 17.0086 17.0086 18.1892 18.1892 18.5642 18.5642 k = 0.2391-0.1381 0.1952 ( 2557 PWs) bands (ev): -28.4599 -28.4599 -9.5074 -9.5074 -8.0903 -8.0903 -8.0800 -8.0800 -0.9334 -0.9334 -0.9259 -0.9259 -0.0970 -0.0970 -0.0808 -0.0808 -0.0788 -0.0788 5.8095 5.8095 7.8885 7.8885 8.3148 8.3148 8.4184 8.4184 8.6162 8.6162 9.1571 9.1571 9.7368 9.7368 10.0011 10.0011 10.0789 10.0789 10.4544 10.4544 10.7935 10.7935 12.5390 12.5390 12.9512 12.9512 13.3097 13.3097 13.6017 13.6017 16.7094 16.7094 17.0481 17.0481 18.3678 18.3678 18.4734 18.4734 k = 0.2500-0.1443 0.2041 ( 2557 PWs) bands (ev): -28.4598 -28.4598 -9.5077 -9.5077 -8.0911 -8.0911 -8.0802 -8.0802 -0.9335 -0.9335 -0.9257 -0.9257 -0.0971 -0.0971 -0.0803 -0.0803 -0.0786 -0.0786 5.8799 5.8799 7.8664 7.8664 8.3195 8.3195 8.4211 8.4211 8.6314 8.6314 9.1663 9.1663 9.7015 9.7015 10.0063 10.0063 10.0598 10.0598 10.4488 10.4488 10.7923 10.7923 12.5129 12.5129 12.9221 12.9221 13.2765 13.2765 13.4799 13.4799 16.6827 16.6827 17.0885 17.0885 18.3660 18.3660 18.4917 18.4917 k = 0.2609-0.1506 0.2130 ( 2557 PWs) bands (ev): -28.4598 -28.4598 -9.5079 -9.5079 -8.0919 -8.0919 -8.0804 -8.0804 -0.9336 -0.9336 -0.9255 -0.9255 -0.0973 -0.0973 -0.0797 -0.0797 -0.0785 -0.0785 5.9516 5.9516 7.8448 7.8448 8.3242 8.3242 8.4226 8.4226 8.6462 8.6462 9.1763 9.1763 9.6655 9.6655 10.0113 10.0113 10.0436 10.0436 10.4433 10.4433 10.7914 10.7914 12.4888 12.4888 12.8957 12.8957 13.2428 13.2428 13.3615 13.3615 16.6560 16.6560 17.1296 17.1296 18.2586 18.2586 18.4179 18.4179 k = 0.2717-0.1569 0.2219 ( 2558 PWs) bands (ev): -28.4597 -28.4597 -9.5082 -9.5082 -8.0928 -8.0928 -8.0806 -8.0806 -0.9337 -0.9337 -0.9254 -0.9254 -0.0975 -0.0975 -0.0791 -0.0791 -0.0785 -0.0785 6.0244 6.0244 7.8240 7.8240 8.3288 8.3288 8.4225 8.4225 8.6608 8.6608 9.1869 9.1869 9.6301 9.6301 10.0161 10.0161 10.0294 10.0294 10.4378 10.4378 10.7908 10.7908 12.4663 12.4663 12.8719 12.8719 13.1940 13.1940 13.2613 13.2613 16.6294 16.6294 17.1708 17.1708 18.1536 18.1536 18.3292 18.3292 k = 0.2826-0.1632 0.2307 ( 2558 PWs) bands (ev): -28.4597 -28.4597 -9.5085 -9.5085 -8.0935 -8.0935 -8.0808 -8.0808 -0.9338 -0.9338 -0.9253 -0.9253 -0.0978 -0.0978 -0.0786 -0.0786 -0.0785 -0.0785 6.0980 6.0980 7.8043 7.8043 8.3333 8.3333 8.4209 8.4209 8.6752 8.6752 9.1978 9.1978 9.5962 9.5962 10.0167 10.0167 10.0206 10.0206 10.4324 10.4324 10.7905 10.7905 12.4455 12.4455 12.8507 12.8507 13.0959 13.0959 13.2136 13.2136 16.6030 16.6030 17.2113 17.2113 18.0519 18.0519 18.2362 18.2362 k = 0.2935-0.1694 0.2396 ( 2558 PWs) bands (ev): -28.4596 -28.4596 -9.5087 -9.5087 -8.0943 -8.0943 -8.0811 -8.0811 -0.9339 -0.9339 -0.9252 -0.9252 -0.0980 -0.0980 -0.0785 -0.0785 -0.0780 -0.0780 6.1718 6.1718 7.7859 7.7859 8.3377 8.3377 8.4176 8.4176 8.6894 8.6894 9.2089 9.2089 9.5645 9.5645 10.0048 10.0048 10.0248 10.0248 10.4271 10.4271 10.7907 10.7907 12.4262 12.4262 12.8321 12.8321 12.9796 12.9796 13.1874 13.1874 16.5769 16.5769 17.2503 17.2503 17.9539 17.9539 18.1415 18.1415 k = 0.3043-0.1757 0.2485 ( 2550 PWs) bands (ev): -28.4595 -28.4595 -9.5090 -9.5090 -8.0950 -8.0950 -8.0813 -8.0813 -0.9340 -0.9340 -0.9252 -0.9252 -0.0982 -0.0982 -0.0786 -0.0786 -0.0775 -0.0775 6.2454 6.2454 7.7692 7.7692 8.3418 8.3418 8.4129 8.4129 8.7036 8.7036 9.2200 9.2200 9.5357 9.5357 9.9933 9.9933 10.0284 10.0284 10.4221 10.4221 10.7912 10.7912 12.4083 12.4083 12.8160 12.8160 12.8612 12.8612 13.1668 13.1668 16.5513 16.5513 17.2862 17.2862 17.8604 17.8604 18.0470 18.0470 k = 0.3152-0.1820 0.2574 ( 2554 PWs) bands (ev): -28.4595 -28.4595 -9.5092 -9.5092 -8.0957 -8.0957 -8.0815 -8.0815 -0.9341 -0.9341 -0.9251 -0.9251 -0.0984 -0.0984 -0.0788 -0.0788 -0.0769 -0.0769 6.3183 6.3183 7.7544 7.7544 8.3454 8.3454 8.4067 8.4067 8.7178 8.7178 9.2309 9.2309 9.5100 9.5100 9.9820 9.9820 10.0316 10.0316 10.4173 10.4173 10.7923 10.7923 12.3917 12.3917 12.7430 12.7430 12.8023 12.8023 13.1495 13.1495 16.5263 16.5263 17.3166 17.3166 17.7722 17.7722 17.9537 17.9537 k = 0.3261-0.1883 0.2662 ( 2562 PWs) bands (ev): -28.4594 -28.4594 -9.5094 -9.5094 -8.0964 -8.0964 -8.0817 -8.0817 -0.9342 -0.9342 -0.9252 -0.9252 -0.0986 -0.0986 -0.0790 -0.0790 -0.0764 -0.0764 6.3900 6.3900 7.7420 7.7420 8.3483 8.3483 8.3996 8.3996 8.7322 8.7322 9.2414 9.2414 9.4877 9.4877 9.9706 9.9706 10.0341 10.0341 10.4128 10.4128 10.7938 10.7938 12.3764 12.3764 12.6260 12.6260 12.7908 12.7908 13.1349 13.1349 16.5020 16.5020 17.3379 17.3379 17.6903 17.6903 17.8627 17.8627 k = 0.3370-0.1945 0.2751 ( 2562 PWs) bands (ev): -28.4594 -28.4594 -9.5096 -9.5096 -8.0970 -8.0970 -8.0818 -8.0818 -0.9343 -0.9343 -0.9252 -0.9252 -0.0988 -0.0988 -0.0793 -0.0793 -0.0759 -0.0759 6.4596 6.4596 7.7322 7.7322 8.3498 8.3498 8.3923 8.3923 8.7470 8.7470 9.2512 9.2512 9.4689 9.4689 9.9591 9.9591 10.0359 10.0359 10.4086 10.4086 10.7959 10.7959 12.3622 12.3622 12.5106 12.5106 12.7814 12.7814 13.1228 13.1228 16.4785 16.4785 17.3451 17.3451 17.6166 17.6166 17.7746 17.7746 k = 0.3478-0.2008 0.2840 ( 2550 PWs) bands (ev): -28.4593 -28.4593 -9.5098 -9.5098 -8.0976 -8.0976 -8.0820 -8.0820 -0.9344 -0.9344 -0.9253 -0.9253 -0.0990 -0.0990 -0.0795 -0.0795 -0.0754 -0.0754 6.5266 6.5266 7.7254 7.7254 8.3487 8.3487 8.3861 8.3861 8.7623 8.7623 9.2601 9.2601 9.4534 9.4534 9.9474 9.9474 10.0370 10.0370 10.4049 10.4049 10.7986 10.7986 12.3492 12.3492 12.3972 12.3972 12.7740 12.7740 13.1128 13.1128 16.4559 16.4559 17.3330 17.3330 17.5524 17.5524 17.6900 17.6900 k = 0.3587-0.2071 0.2929 ( 2554 PWs) bands (ev): -28.4593 -28.4593 -9.5100 -9.5100 -8.0982 -8.0982 -8.0822 -8.0822 -0.9345 -0.9345 -0.9254 -0.9254 -0.0992 -0.0992 -0.0798 -0.0798 -0.0750 -0.0750 6.5902 6.5902 7.7218 7.7218 8.3438 8.3438 8.3826 8.3826 8.7782 8.7782 9.2678 9.2678 9.4411 9.4411 9.9355 9.9355 10.0372 10.0372 10.4015 10.4015 10.8020 10.8020 12.2865 12.2865 12.3372 12.3372 12.7683 12.7683 13.1048 13.1048 16.4344 16.4344 17.3006 17.3006 17.4971 17.4971 17.6093 17.6093 k = 0.3696-0.2134 0.3017 ( 2546 PWs) bands (ev): -28.4592 -28.4592 -9.5102 -9.5102 -8.0987 -8.0987 -8.0823 -8.0823 -0.9346 -0.9346 -0.9254 -0.9254 -0.0994 -0.0994 -0.0801 -0.0801 -0.0745 -0.0745 6.6497 6.6497 7.7219 7.7219 8.3351 8.3351 8.3820 8.3820 8.7950 8.7950 9.2742 9.2742 9.4319 9.4319 9.9234 9.9234 10.0364 10.0364 10.3984 10.3984 10.8060 10.8060 12.1790 12.1790 12.3263 12.3263 12.7643 12.7643 13.0987 13.0987 16.4140 16.4140 17.2534 17.2534 17.4471 17.4471 17.5330 17.5330 k = 0.3804-0.2196 0.3106 ( 2546 PWs) bands (ev): -28.4592 -28.4592 -9.5103 -9.5103 -8.0992 -8.0992 -8.0825 -8.0825 -0.9347 -0.9347 -0.9256 -0.9256 -0.0996 -0.0996 -0.0805 -0.0805 -0.0741 -0.0741 6.7043 6.7043 7.7256 7.7256 8.3241 8.3241 8.3831 8.3831 8.8128 8.8128 9.2788 9.2788 9.4253 9.4253 9.9113 9.9113 10.0347 10.0347 10.3958 10.3958 10.8108 10.8108 12.0752 12.0752 12.3163 12.3163 12.7616 12.7616 13.0941 13.0941 16.3948 16.3948 17.1989 17.1989 17.3998 17.3998 17.4614 17.4614 k = 0.3913-0.2259 0.3195 ( 2538 PWs) bands (ev): -28.4591 -28.4591 -9.5105 -9.5105 -8.0996 -8.0996 -8.0826 -8.0826 -0.9348 -0.9348 -0.9257 -0.9257 -0.0998 -0.0998 -0.0808 -0.0808 -0.0737 -0.0737 6.7536 6.7536 7.7329 7.7329 8.3120 8.3120 8.3850 8.3850 8.8319 8.8319 9.2815 9.2815 9.4211 9.4211 9.8992 9.8992 10.0319 10.0319 10.3935 10.3935 10.8165 10.8165 11.9759 11.9759 12.3073 12.3073 12.7600 12.7600 13.0910 13.0910 16.3770 16.3770 17.1426 17.1426 17.3544 17.3544 17.3949 17.3949 k = 0.4022-0.2322 0.3284 ( 2530 PWs) bands (ev): -28.4590 -28.4590 -9.5106 -9.5106 -8.1000 -8.1000 -8.0828 -8.0828 -0.9349 -0.9349 -0.9258 -0.9258 -0.0999 -0.0999 -0.0811 -0.0811 -0.0734 -0.0734 6.7972 6.7972 7.7435 7.7435 8.2996 8.2996 8.3872 8.3872 8.8523 8.8523 9.2819 9.2819 9.4189 9.4189 9.8873 9.8873 10.0283 10.0283 10.3916 10.3916 10.8229 10.8229 11.8816 11.8816 12.2992 12.2992 12.7595 12.7595 13.0890 13.0890 16.3606 16.3606 17.0876 17.0876 17.3117 17.3117 17.3337 17.3337 k = 0.4130-0.2385 0.3372 ( 2526 PWs) bands (ev): -28.4590 -28.4590 -9.5107 -9.5107 -8.1003 -8.1003 -8.0829 -8.0829 -0.9350 -0.9350 -0.9259 -0.9259 -0.1001 -0.1001 -0.0814 -0.0814 -0.0731 -0.0731 6.8348 6.8348 7.7569 7.7569 8.2874 8.2874 8.3894 8.3894 8.8742 8.8742 9.2800 9.2800 9.4184 9.4184 9.8757 9.8757 10.0238 10.0238 10.3899 10.3899 10.8302 10.8302 11.7932 11.7932 12.2920 12.2920 12.7597 12.7597 13.0880 13.0880 16.3456 16.3456 17.0359 17.0359 17.2723 17.2723 17.2781 17.2781 k = 0.4239-0.2447 0.3461 ( 2530 PWs) bands (ev): -28.4590 -28.4590 -9.5108 -9.5108 -8.1006 -8.1006 -8.0830 -8.0830 -0.9351 -0.9351 -0.9260 -0.9260 -0.1002 -0.1002 -0.0817 -0.0817 -0.0728 -0.0728 6.8665 6.8665 7.7724 7.7724 8.2760 8.2760 8.3915 8.3915 8.8975 8.8975 9.2754 9.2754 9.4191 9.4191 9.8647 9.8647 10.0187 10.0187 10.3886 10.3886 10.8382 10.8382 11.7114 11.7114 12.2857 12.2857 12.7604 12.7604 13.0877 13.0877 16.3323 16.3323 16.9885 16.9885 17.2285 17.2285 17.2368 17.2368 k = 0.4348-0.2510 0.3550 ( 2526 PWs) bands (ev): -28.4590 -28.4590 -9.5109 -9.5109 -8.1009 -8.1009 -8.0831 -8.0831 -0.9351 -0.9351 -0.9261 -0.9261 -0.1003 -0.1003 -0.0820 -0.0820 -0.0725 -0.0725 6.8926 6.8926 7.7889 7.7889 8.2654 8.2654 8.3935 8.3935 8.9220 8.9220 9.2682 9.2682 9.4207 9.4207 9.8545 9.8545 10.0131 10.0131 10.3875 10.3875 10.8469 10.8469 11.6372 11.6372 12.2803 12.2803 12.7615 12.7615 13.0880 13.0880 16.3206 16.3206 16.9462 16.9462 17.1849 17.1849 17.2056 17.2056 k = 0.4457-0.2573 0.3639 ( 2534 PWs) bands (ev): -28.4589 -28.4589 -9.5110 -9.5110 -8.1011 -8.1011 -8.0832 -8.0832 -0.9352 -0.9352 -0.9262 -0.9262 -0.1004 -0.1004 -0.0822 -0.0822 -0.0723 -0.0723 6.9135 6.9135 7.8054 7.8054 8.2561 8.2561 8.3952 8.3952 8.9474 8.9474 9.2583 9.2583 9.4228 9.4228 9.8453 9.8453 10.0075 10.0075 10.3866 10.3866 10.8559 10.8559 11.5714 11.5714 12.2757 12.2757 12.7627 12.7627 13.0886 13.0886 16.3105 16.3105 16.9097 16.9097 17.1477 17.1477 17.1790 17.1790 k = 0.4565-0.2636 0.3727 ( 2534 PWs) bands (ev): -28.4589 -28.4589 -9.5111 -9.5111 -8.1013 -8.1013 -8.0832 -8.0832 -0.9352 -0.9352 -0.9263 -0.9263 -0.1005 -0.1005 -0.0824 -0.0824 -0.0721 -0.0721 6.9297 6.9297 7.8206 7.8206 8.2483 8.2483 8.3966 8.3966 8.9729 8.9729 9.2462 9.2462 9.4251 9.4251 9.8374 9.8374 10.0021 10.0021 10.3859 10.3859 10.8648 10.8648 11.5151 11.5151 12.2720 12.2720 12.7640 12.7640 13.0894 13.0894 16.3023 16.3023 16.8792 16.8792 17.1170 17.1170 17.1572 17.1572 k = 0.4674-0.2698 0.3816 ( 2534 PWs) bands (ev): -28.4589 -28.4589 -9.5111 -9.5111 -8.1015 -8.1015 -8.0833 -8.0833 -0.9353 -0.9353 -0.9264 -0.9264 -0.1006 -0.1006 -0.0826 -0.0826 -0.0720 -0.0720 6.9417 6.9417 7.8337 7.8337 8.2420 8.2420 8.3977 8.3977 8.9973 8.9973 9.2327 9.2327 9.4273 9.4273 9.8309 9.8309 9.9974 9.9974 10.3854 10.3854 10.8731 10.8731 11.4695 11.4695 12.2691 12.2691 12.7651 12.7651 13.0902 13.0902 16.2958 16.2958 16.8552 16.8552 17.0930 17.0930 17.1401 17.1401 k = 0.4783-0.2761 0.3905 ( 2534 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1016 -8.1016 -8.0833 -8.0833 -0.9353 -0.9353 -0.9264 -0.9264 -0.1006 -0.1006 -0.0827 -0.0827 -0.0719 -0.0719 6.9499 6.9499 7.8436 7.8436 8.2374 8.2374 8.3985 8.3985 9.0187 9.0187 9.2194 9.2194 9.4290 9.4290 9.8261 9.8261 9.9937 9.9937 10.3851 10.3851 10.8800 10.8800 11.4356 11.4356 12.2670 12.2670 12.7660 12.7660 13.0908 13.0908 16.2911 16.2911 16.8379 16.8379 17.0757 17.0757 17.1279 17.1279 k = 0.4891-0.2824 0.3994 ( 2526 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1016 -8.1016 -8.0833 -8.0833 -0.9353 -0.9353 -0.9265 -0.9265 -0.1006 -0.1006 -0.0827 -0.0827 -0.0718 -0.0718 6.9547 6.9547 7.8499 7.8499 8.2346 8.2346 8.3990 8.3990 9.0341 9.0341 9.2091 9.2091 9.4302 9.4302 9.8232 9.8232 9.9914 9.9914 10.3849 10.3849 10.8846 10.8846 11.4148 11.4148 12.2658 12.2658 12.7666 12.7666 13.0912 13.0912 16.2883 16.2883 16.8274 16.8274 17.0654 17.0654 17.1206 17.1206 k = 0.5000-0.2887 0.4082 ( 2538 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1016 -8.1016 -8.0833 -8.0833 -0.9353 -0.9353 -0.9265 -0.9265 -0.1006 -0.1006 -0.0828 -0.0828 -0.0718 -0.0718 6.9563 6.9563 7.8520 7.8520 8.2337 8.2337 8.3992 8.3992 9.0398 9.0398 9.2050 9.2050 9.4306 9.4306 9.8222 9.8222 9.9906 9.9906 10.3848 10.3848 10.8862 10.8862 11.4077 11.4077 12.2654 12.2654 12.7668 12.7668 13.0914 13.0914 16.2874 16.2874 16.8239 16.8239 17.0619 17.0619 17.1181 17.1181 k = 0.5000-0.2887 0.4082 ( 2538 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1016 -8.1016 -8.0833 -8.0833 -0.9353 -0.9353 -0.9265 -0.9265 -0.1006 -0.1006 -0.0828 -0.0828 -0.0718 -0.0718 6.9563 6.9563 7.8520 7.8520 8.2337 8.2337 8.3992 8.3992 9.0398 9.0398 9.2050 9.2050 9.4306 9.4306 9.8222 9.8222 9.9906 9.9906 10.3848 10.3848 10.8862 10.8862 11.4077 11.4077 12.2654 12.2654 12.7668 12.7668 13.0914 13.0914 16.2874 16.2874 16.8239 16.8239 17.0619 17.0619 17.1181 17.1181 k = 0.5000-0.2761 0.4171 ( 2520 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1016 -8.1016 -8.0834 -8.0834 -0.9353 -0.9353 -0.9265 -0.9265 -0.1006 -0.1006 -0.0828 -0.0828 -0.0718 -0.0718 6.9567 6.9567 7.8528 7.8528 8.2335 8.2335 8.3997 8.3997 9.0352 9.0352 9.2084 9.2084 9.4309 9.4309 9.8204 9.8204 9.9946 9.9946 10.3845 10.3845 10.8838 10.8838 11.4076 11.4076 12.2485 12.2485 12.7762 12.7762 13.0971 13.0971 16.2904 16.2904 16.8234 16.8234 17.0608 17.0608 17.1233 17.1233 k = 0.5000-0.2636 0.4260 ( 2528 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1016 -8.1016 -8.0834 -8.0834 -0.9352 -0.9352 -0.9265 -0.9265 -0.1005 -0.1005 -0.0827 -0.0827 -0.0718 -0.0718 6.9577 6.9577 7.8553 7.8553 8.2331 8.2331 8.4012 8.4012 9.0227 9.0227 9.2172 9.2172 9.4322 9.4322 9.8157 9.8157 10.0061 10.0061 10.3837 10.3837 10.8765 10.8765 11.4074 11.4074 12.2041 12.2041 12.7943 12.7943 13.1185 13.1185 16.2990 16.2990 16.8215 16.8215 17.0575 17.0575 17.1389 17.1389 k = 0.5000-0.2510 0.4349 ( 2532 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1015 -8.1015 -8.0835 -8.0835 -0.9351 -0.9351 -0.9265 -0.9265 -0.1004 -0.1004 -0.0827 -0.0827 -0.0719 -0.0719 6.9595 6.9595 7.8593 7.8593 8.2325 8.2325 8.4036 8.4036 9.0049 9.0049 9.2282 9.2282 9.4350 9.4350 9.8092 9.8092 10.0238 10.0238 10.3824 10.3824 10.8644 10.8644 11.4070 11.4070 12.1440 12.1440 12.8018 12.8018 13.1637 13.1637 16.3126 16.3126 16.8176 16.8176 17.0525 17.0525 17.1650 17.1650 k = 0.5000-0.2385 0.4437 ( 2536 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1014 -8.1014 -8.0837 -8.0837 -0.9349 -0.9349 -0.9265 -0.9265 -0.1002 -0.1002 -0.0826 -0.0826 -0.0719 -0.0719 6.9619 6.9619 7.8647 7.8647 8.2319 8.2319 8.4067 8.4067 8.9841 8.9841 9.2385 9.2385 9.4401 9.4401 9.8021 9.8021 10.0462 10.0462 10.3807 10.3807 10.8471 10.8471 11.4063 11.4063 12.0776 12.0776 12.7881 12.7881 13.2350 13.2350 16.3302 16.3302 16.8106 16.8106 17.0465 17.0465 17.2015 17.2015 k = 0.5000-0.2259 0.4526 ( 2536 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1013 -8.1013 -8.0839 -8.0839 -0.9347 -0.9347 -0.9265 -0.9265 -0.0999 -0.0999 -0.0825 -0.0825 -0.0720 -0.0720 6.9649 6.9649 7.8715 7.8715 8.2315 8.2315 8.4106 8.4106 8.9619 8.9619 9.2457 9.2457 9.4484 9.4484 9.7954 9.7954 10.0721 10.0721 10.3787 10.3787 10.8247 10.8247 11.4055 11.4055 12.0106 12.0106 12.7545 12.7545 13.3265 13.3265 16.3509 16.3509 16.7993 16.7993 17.0405 17.0405 17.2476 17.2476 k = 0.5000-0.2134 0.4615 ( 2534 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1012 -8.1012 -8.0841 -8.0841 -0.9345 -0.9345 -0.9265 -0.9265 -0.0996 -0.0996 -0.0824 -0.0824 -0.0720 -0.0720 6.9685 6.9685 7.8793 7.8793 8.2315 8.2315 8.4149 8.4149 8.9393 8.9393 9.2486 9.2486 9.4602 9.4602 9.7896 9.7896 10.1007 10.1007 10.3767 10.3767 10.7971 10.7971 11.4044 11.4044 11.9464 11.9464 12.7058 12.7058 13.4314 13.4314 16.3734 16.3734 16.7823 16.7823 17.0355 17.0355 17.3021 17.3021 k = 0.5000-0.2008 0.4704 ( 2538 PWs) bands (ev): -28.4589 -28.4589 -9.5113 -9.5113 -8.1010 -8.1010 -8.0843 -8.0843 -0.9342 -0.9342 -0.9266 -0.9266 -0.0993 -0.0993 -0.0823 -0.0823 -0.0721 -0.0721 6.9726 6.9726 7.8880 7.8880 8.2322 8.2322 8.4195 8.4195 8.9170 8.9170 9.2467 9.2467 9.4756 9.4756 9.7849 9.7849 10.1310 10.1310 10.3749 10.3749 10.7644 10.7644 11.4030 11.4030 11.8872 11.8872 12.6461 12.6461 13.5449 13.5449 16.3970 16.3970 16.7588 16.7588 17.0323 17.0323 17.3627 17.3627 k = 0.5000-0.1883 0.4792 ( 2538 PWs) bands (ev): -28.4589 -28.4589 -9.5113 -9.5113 -8.1008 -8.1008 -8.0846 -8.0846 -0.9339 -0.9339 -0.9266 -0.9266 -0.0989 -0.0989 -0.0821 -0.0821 -0.0722 -0.0722 6.9772 6.9772 7.8972 7.8972 8.2339 8.2339 8.4244 8.4244 8.8956 8.8956 9.2404 9.2404 9.4938 9.4938 9.7816 9.7816 10.1622 10.1622 10.3739 10.3739 10.7271 10.7271 11.4012 11.4012 11.8342 11.8342 12.5782 12.5782 13.6641 13.6641 16.4209 16.4209 16.7283 16.7283 17.0314 17.0314 17.4259 17.4259 k = 0.5000-0.1757 0.4881 ( 2550 PWs) bands (ev): -28.4589 -28.4589 -9.5113 -9.5113 -8.1006 -8.1006 -8.0849 -8.0849 -0.9336 -0.9336 -0.9266 -0.9266 -0.0985 -0.0985 -0.0819 -0.0819 -0.0723 -0.0723 6.9822 6.9822 7.9067 7.9067 8.2367 8.2367 8.4293 8.4293 8.8756 8.8756 9.2303 9.2303 9.5141 9.5141 9.7794 9.7794 10.1929 10.1929 10.3745 10.3745 10.6860 10.6860 11.3992 11.3992 11.7878 11.7878 12.5042 12.5042 13.7871 13.7871 16.4445 16.4445 16.6908 16.6908 17.0328 17.0328 17.4872 17.4872 k = 0.5000-0.1632 0.4970 ( 2550 PWs) bands (ev): -28.4589 -28.4589 -9.5113 -9.5113 -8.1003 -8.1003 -8.0853 -8.0853 -0.9332 -0.9332 -0.9266 -0.9266 -0.0981 -0.0981 -0.0817 -0.0817 -0.0724 -0.0724 6.9874 6.9874 7.9160 7.9160 8.2409 8.2409 8.4342 8.4342 8.8572 8.8572 9.2171 9.2171 9.5356 9.5356 9.7785 9.7785 10.2211 10.2211 10.3775 10.3775 10.6427 10.6427 11.3970 11.3970 11.7481 11.7481 12.4257 12.4257 13.9128 13.9128 16.4670 16.4670 16.6469 16.6469 17.0361 17.0361 17.5415 17.5415 k = 0.5000-0.1506 0.5059 ( 2558 PWs) bands (ev): -28.4589 -28.4589 -9.5114 -9.5114 -8.1001 -8.1001 -8.0857 -8.0857 -0.9328 -0.9328 -0.9267 -0.9267 -0.0977 -0.0977 -0.0815 -0.0815 -0.0726 -0.0726 6.9929 6.9929 7.9250 7.9250 8.2464 8.2464 8.4390 8.4390 8.8410 8.8410 9.2013 9.2013 9.5576 9.5576 9.7787 9.7787 10.2444 10.2444 10.3838 10.3838 10.5998 10.5998 11.3945 11.3945 11.7148 11.7148 12.3440 12.3440 14.0402 14.0402 16.4865 16.4865 16.5989 16.5989 17.0411 17.0411 17.5841 17.5841 k = 0.5000-0.1381 0.5147 ( 2556 PWs) bands (ev): -28.4589 -28.4589 -9.5114 -9.5114 -8.0998 -8.0998 -8.0861 -8.0861 -0.9325 -0.9325 -0.9268 -0.9268 -0.0972 -0.0972 -0.0813 -0.0813 -0.0727 -0.0727 6.9984 6.9984 7.9333 7.9333 8.2534 8.2534 8.4436 8.4436 8.8273 8.8273 9.1835 9.1835 9.5798 9.5798 9.7799 9.7799 10.2604 10.2604 10.3906 10.3906 10.5631 10.5631 11.3921 11.3921 11.6873 11.6873 12.2604 12.2604 14.1687 14.1687 16.4918 16.4918 16.5580 16.5580 17.0472 17.0472 17.6125 17.6125 k = 0.5000-0.1255 0.5236 ( 2552 PWs) bands (ev): -28.4589 -28.4589 -9.5114 -9.5114 -8.0995 -8.0995 -8.0865 -8.0865 -0.9321 -0.9321 -0.9268 -0.9268 -0.0968 -0.0968 -0.0811 -0.0811 -0.0729 -0.0729 7.0040 7.0040 7.9407 7.9407 8.2615 8.2615 8.4479 8.4479 8.8164 8.8164 9.1639 9.1639 9.6016 9.6016 9.7820 9.7820 10.2689 10.2689 10.3881 10.3881 10.5437 10.5437 11.3898 11.3898 11.6651 11.6651 12.1757 12.1757 14.2978 14.2978 16.4525 16.4525 16.5550 16.5550 17.0541 17.0541 17.6274 17.6274 k = 0.5000-0.1130 0.5325 ( 2552 PWs) bands (ev): -28.4589 -28.4589 -9.5114 -9.5114 -8.0992 -8.0992 -8.0869 -8.0869 -0.9317 -0.9317 -0.9269 -0.9269 -0.0964 -0.0964 -0.0808 -0.0808 -0.0731 -0.0731 7.0094 7.0094 7.9472 7.9472 8.2707 8.2707 8.4520 8.4520 8.8087 8.8087 9.1427 9.1427 9.6229 9.6229 9.7849 9.7849 10.2709 10.2709 10.3666 10.3666 10.5512 10.5512 11.3880 11.3880 11.6472 11.6472 12.0910 12.0910 14.4271 14.4271 16.3874 16.3874 16.5710 16.5710 17.0613 17.0613 17.6315 17.6315 k = 0.5000-0.1004 0.5414 ( 2544 PWs) bands (ev): -28.4589 -28.4589 -9.5114 -9.5114 -8.0989 -8.0989 -8.0873 -8.0873 -0.9313 -0.9313 -0.9270 -0.9270 -0.0960 -0.0960 -0.0805 -0.0805 -0.0732 -0.0732 7.0146 7.0146 7.9526 7.9526 8.2803 8.2803 8.4558 8.4558 8.8045 8.8045 9.1203 9.1203 9.6433 9.6433 9.7885 9.7885 10.2667 10.2667 10.3331 10.3331 10.5790 10.5790 11.3867 11.3867 11.6331 11.6331 12.0071 12.0071 14.5560 14.5560 16.3131 16.3131 16.5898 16.5898 17.0686 17.0686 17.6279 17.6279 k = 0.5000-0.0879 0.5502 ( 2548 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0986 -8.0986 -8.0877 -8.0877 -0.9309 -0.9309 -0.9271 -0.9271 -0.0957 -0.0957 -0.0802 -0.0802 -0.0734 -0.0734 7.0196 7.0196 7.9570 7.9570 8.2900 8.2900 8.4593 8.4593 8.8040 8.8040 9.0966 9.0966 9.6626 9.6626 9.7927 9.7927 10.2513 10.2513 10.3035 10.3035 10.6168 10.6168 11.3865 11.3865 11.6220 11.6220 11.9248 11.9248 14.6842 14.6842 16.2325 16.2325 16.6083 16.6083 17.0757 17.0757 17.6195 17.6195 k = 0.5000-0.0753 0.5591 ( 2552 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0983 -8.0983 -8.0881 -8.0881 -0.9305 -0.9305 -0.9273 -0.9273 -0.0954 -0.0954 -0.0800 -0.0800 -0.0736 -0.0736 7.0241 7.0241 7.9606 7.9606 8.2992 8.2992 8.4625 8.4625 8.8075 8.8075 9.0719 9.0719 9.6806 9.6806 9.7977 9.7977 10.2200 10.2200 10.2883 10.2883 10.6588 10.6588 11.3877 11.3877 11.6134 11.6134 11.8452 11.8452 14.8114 14.8114 16.1464 16.1464 16.6257 16.6257 17.0824 17.0824 17.6084 17.6084 k = 0.5000-0.0628 0.5680 ( 2548 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0980 -8.0980 -8.0884 -8.0884 -0.9301 -0.9301 -0.9274 -0.9274 -0.0951 -0.0951 -0.0797 -0.0797 -0.0738 -0.0738 7.0281 7.0281 7.9633 7.9633 8.3074 8.3074 8.4655 8.4655 8.8149 8.8149 9.0465 9.0465 9.6968 9.6968 9.8033 9.8033 10.1825 10.1825 10.2814 10.2814 10.7017 10.7017 11.3908 11.3908 11.6068 11.6068 11.7692 11.7692 14.9373 14.9373 16.0553 16.0553 16.6414 16.6414 17.0884 17.0884 17.5964 17.5964 k = 0.5000-0.0502 0.5769 ( 2548 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0977 -8.0977 -8.0887 -8.0887 -0.9298 -0.9298 -0.9276 -0.9276 -0.0949 -0.0949 -0.0795 -0.0795 -0.0740 -0.0740 7.0315 7.0315 7.9653 7.9653 8.3144 8.3144 8.4680 8.4680 8.8260 8.8260 9.0207 9.0207 9.7108 9.7108 9.8096 9.8096 10.1463 10.1463 10.2771 10.2771 10.7430 10.7430 11.3965 11.3965 11.6019 11.6019 11.6979 11.6979 15.0615 15.0615 15.9597 15.9597 16.6551 16.6551 17.0935 17.0935 17.5848 17.5848 k = 0.5000-0.0377 0.5857 ( 2546 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0975 -8.0975 -8.0890 -8.0890 -0.9294 -0.9294 -0.9278 -0.9278 -0.0947 -0.0947 -0.0792 -0.0792 -0.0742 -0.0742 7.0342 7.0342 7.9668 7.9668 8.3199 8.3199 8.4702 8.4702 8.8403 8.8403 8.9950 8.9950 9.7222 9.7222 9.8162 9.8162 10.1148 10.1148 10.2741 10.2741 10.7799 10.7799 11.4059 11.4059 11.5981 11.5981 11.6331 11.6331 15.1836 15.1836 15.8597 15.8597 16.6662 16.6662 17.0977 17.0977 17.5747 17.5747 k = 0.5000-0.0251 0.5946 ( 2546 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0974 -8.0974 -8.0892 -8.0892 -0.9291 -0.9291 -0.9280 -0.9280 -0.0946 -0.0946 -0.0791 -0.0791 -0.0743 -0.0743 7.0362 7.0362 7.9677 7.9677 8.3239 8.3239 8.4718 8.4718 8.8570 8.8570 8.9703 8.9703 9.7305 9.7305 9.8226 9.8226 10.0900 10.0900 10.2720 10.2720 10.8096 10.8096 11.4199 11.4199 11.5751 11.5751 11.5967 11.5967 15.3034 15.3034 15.7558 15.7558 16.6745 16.6745 17.1007 17.1007 17.5669 17.5669 k = 0.5000-0.0126 0.6035 ( 2546 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0973 -8.0973 -8.0893 -8.0893 -0.9288 -0.9288 -0.9282 -0.9282 -0.0945 -0.0945 -0.0790 -0.0790 -0.0744 -0.0744 7.0374 7.0374 7.9683 7.9683 8.3262 8.3262 8.4728 8.4728 8.8733 8.8733 8.9492 8.9492 9.7355 9.7355 9.8273 9.8273 10.0739 10.0739 10.2708 10.2708 10.8290 10.8290 11.4383 11.4383 11.5296 11.5296 11.5949 11.5949 15.4201 15.4201 15.6486 15.6486 16.6796 16.6796 17.1026 17.1026 17.5620 17.5620 k = 0.5000 0.0000 0.6124 ( 2520 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0972 -8.0972 -8.0894 -8.0894 -0.9287 -0.9287 -0.9283 -0.9283 -0.0945 -0.0945 -0.0789 -0.0789 -0.0744 -0.0744 7.0378 7.0378 7.9685 7.9685 8.3270 8.3270 8.4731 8.4731 8.8816 8.8816 8.9393 8.9393 9.7371 9.7371 9.8291 9.8291 10.0683 10.0683 10.2704 10.2704 10.8358 10.8358 11.4513 11.4513 11.5072 11.5072 11.5944 11.5944 15.5188 15.5188 15.5531 15.5531 16.6813 16.6813 17.1032 17.1032 17.5604 17.5604 k = 0.5000 0.0000 0.6124 ( 2520 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0972 -8.0972 -8.0894 -8.0894 -0.9287 -0.9287 -0.9283 -0.9283 -0.0945 -0.0945 -0.0789 -0.0789 -0.0744 -0.0744 7.0378 7.0378 7.9685 7.9685 8.3270 8.3270 8.4731 8.4731 8.8816 8.8816 8.9393 8.9393 9.7371 9.7371 9.8291 9.8291 10.0683 10.0683 10.2704 10.2704 10.8358 10.8358 11.4513 11.4513 11.5072 11.5072 11.5944 11.5944 15.5188 15.5188 15.5531 15.5531 16.6813 16.6813 17.1032 17.1032 17.5604 17.5604 k = 0.4926 0.0127 0.6124 ( 2543 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0972 -8.0972 -8.0893 -8.0893 -0.9288 -0.9288 -0.9282 -0.9282 -0.0945 -0.0945 -0.0789 -0.0789 -0.0744 -0.0744 7.0373 7.0373 7.9689 7.9689 8.3267 8.3267 8.4730 8.4730 8.8766 8.8766 8.9452 8.9452 9.7356 9.7356 9.8280 9.8280 10.0706 10.0706 10.2703 10.2703 10.8312 10.8312 11.4154 11.4154 11.5218 11.5218 11.6246 11.6246 15.4558 15.4558 15.6143 15.6143 16.6823 16.6823 17.1031 17.1031 17.5614 17.5614 k = 0.4853 0.0255 0.6124 ( 2547 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0973 -8.0973 -8.0893 -8.0893 -0.9289 -0.9289 -0.9281 -0.9281 -0.0945 -0.0945 -0.0790 -0.0790 -0.0743 -0.0743 7.0357 7.0357 7.9702 7.9702 8.3260 8.3260 8.4725 8.4725 8.8654 8.8654 8.9590 8.9590 9.7308 9.7308 9.8250 9.8250 10.0774 10.0774 10.2702 10.2702 10.8193 10.8193 11.3584 11.3584 11.5235 11.5235 11.7039 11.7039 15.3746 15.3746 15.6899 15.6899 16.6856 16.6856 17.1024 17.1024 17.5641 17.5641 k = 0.4779 0.0382 0.6124 ( 2547 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0974 -8.0974 -8.0891 -8.0891 -0.9291 -0.9291 -0.9279 -0.9279 -0.0945 -0.0945 -0.0791 -0.0791 -0.0743 -0.0743 7.0334 7.0334 7.9725 7.9725 8.3247 8.3247 8.4718 8.4718 8.8524 8.8524 8.9764 8.9764 9.7227 9.7227 9.8205 9.8205 10.0882 10.0882 10.2699 10.2699 10.8028 10.8028 11.2998 11.2998 11.5190 11.5190 11.8039 11.8039 15.2887 15.2887 15.7661 15.7661 16.6918 16.6918 17.1008 17.1008 17.5677 17.5677 k = 0.4706 0.0509 0.6124 ( 2545 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0975 -8.0975 -8.0889 -8.0889 -0.9292 -0.9292 -0.9278 -0.9278 -0.0945 -0.0945 -0.0792 -0.0792 -0.0741 -0.0741 7.0303 7.0303 7.9759 7.9759 8.3228 8.3228 8.4710 8.4710 8.8395 8.8395 8.9955 8.9955 9.7113 9.7113 9.8152 9.8152 10.1022 10.1022 10.2697 10.2697 10.7835 10.7835 11.2421 11.2421 11.5135 11.5135 11.9144 11.9144 15.1985 15.1985 15.8424 15.8424 16.7012 16.7012 17.0979 17.0979 17.5717 17.5717 k = 0.4632 0.0637 0.6124 ( 2542 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0977 -8.0977 -8.0887 -8.0887 -0.9294 -0.9294 -0.9276 -0.9276 -0.0946 -0.0946 -0.0794 -0.0794 -0.0740 -0.0740 7.0268 7.0268 7.9802 7.9802 8.3200 8.3200 8.4702 8.4702 8.8274 8.8274 9.0156 9.0156 9.6965 9.6965 9.8096 9.8096 10.1188 10.1188 10.2696 10.2696 10.7631 10.7631 11.1861 11.1861 11.5081 11.5081 12.0319 12.0319 15.1042 15.1042 15.9185 15.9185 16.7142 16.7142 17.0932 17.0932 17.5752 17.5752 k = 0.4559 0.0764 0.6124 ( 2543 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0979 -8.0979 -8.0885 -8.0885 -0.9296 -0.9296 -0.9275 -0.9275 -0.0946 -0.0946 -0.0795 -0.0795 -0.0738 -0.0738 7.0228 7.0228 7.9856 7.9856 8.3164 8.3164 8.4695 8.4695 8.8165 8.8165 9.0367 9.0367 9.6784 9.6784 9.8040 9.8040 10.1371 10.1371 10.2701 10.2701 10.7426 10.7426 11.1321 11.1321 11.5030 11.5030 12.1544 12.1544 15.0057 15.0057 15.9941 15.9941 16.7309 16.7309 17.0864 17.0864 17.5777 17.5777 k = 0.4485 0.0891 0.6124 ( 2545 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0980 -8.0980 -8.0883 -8.0883 -0.9297 -0.9297 -0.9274 -0.9274 -0.0946 -0.0946 -0.0797 -0.0797 -0.0737 -0.0737 7.0186 7.0186 7.9919 7.9919 8.3117 8.3117 8.4691 8.4691 8.8069 8.8069 9.0585 9.0585 9.6573 9.6573 9.7987 9.7987 10.1561 10.1561 10.2717 10.2717 10.7229 10.7229 11.0801 11.0801 11.4985 11.4985 12.2807 12.2807 14.9033 14.9033 16.0691 16.0691 16.7512 16.7512 17.0771 17.0771 17.5782 17.5782 k = 0.4412 0.1019 0.6124 ( 2545 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0982 -8.0982 -8.0880 -8.0880 -0.9298 -0.9298 -0.9272 -0.9272 -0.0947 -0.0947 -0.0799 -0.0799 -0.0735 -0.0735 7.0143 7.0143 7.9990 7.9990 8.3058 8.3058 8.4689 8.4689 8.7987 8.7987 9.0811 9.0811 9.6336 9.6336 9.7937 9.7937 10.1745 10.1745 10.2753 10.2753 10.7046 10.7046 11.0302 11.0302 11.4943 11.4943 12.4098 12.4098 14.7973 14.7973 16.1430 16.1430 16.7751 16.7751 17.0652 17.0652 17.5763 17.5763 k = 0.4338 0.1146 0.6124 ( 2551 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0984 -8.0984 -8.0878 -8.0878 -0.9300 -0.9300 -0.9271 -0.9271 -0.0947 -0.0947 -0.0801 -0.0801 -0.0733 -0.0733 7.0101 7.0101 8.0067 8.0067 8.2990 8.2990 8.4692 8.4692 8.7919 8.7919 9.1045 9.1045 9.6075 9.6075 9.7892 9.7892 10.1906 10.1906 10.2823 10.2823 10.6882 10.6882 10.9825 10.9825 11.4907 11.4907 12.5408 12.5408 14.6878 14.6878 16.2155 16.2155 16.8021 16.8021 17.0504 17.0504 17.5711 17.5711 k = 0.4265 0.1274 0.6124 ( 2553 PWs) bands (ev): -28.4589 -28.4589 -9.5114 -9.5114 -8.0986 -8.0986 -8.0876 -8.0876 -0.9301 -0.9301 -0.9271 -0.9271 -0.0947 -0.0947 -0.0803 -0.0803 -0.0732 -0.0732 7.0060 7.0060 8.0150 8.0150 8.2912 8.2912 8.4697 8.4697 8.7864 8.7864 9.1288 9.1288 9.5795 9.5795 9.7850 9.7850 10.2027 10.2027 10.2940 10.2940 10.6740 10.6740 10.9368 10.9368 11.4875 11.4875 12.6731 12.6731 14.5754 14.5754 16.2862 16.2862 16.8317 16.8317 17.0327 17.0327 17.5623 17.5623 k = 0.4191 0.1401 0.6124 ( 2553 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0987 -8.0987 -8.0874 -8.0874 -0.9302 -0.9302 -0.9270 -0.9270 -0.0948 -0.0948 -0.0804 -0.0804 -0.0730 -0.0730 7.0022 7.0022 8.0235 8.0235 8.2828 8.2828 8.4705 8.4705 8.7820 8.7820 9.1540 9.1540 9.5500 9.5500 9.7813 9.7813 10.2104 10.2104 10.3104 10.3104 10.6623 10.6623 10.8935 10.8935 11.4847 11.4847 12.8057 12.8057 14.4605 14.4605 16.3545 16.3545 16.8628 16.8628 17.0124 17.0124 17.5495 17.5495 k = 0.4118 0.1528 0.6124 ( 2557 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0988 -8.0988 -8.0872 -8.0872 -0.9303 -0.9303 -0.9269 -0.9269 -0.0948 -0.0948 -0.0806 -0.0806 -0.0729 -0.0729 6.9988 6.9988 8.0320 8.0320 8.2741 8.2741 8.4714 8.4714 8.7787 8.7787 9.1799 9.1799 9.5195 9.5195 9.7781 9.7781 10.2146 10.2146 10.3299 10.3299 10.6534 10.6534 10.8528 10.8528 11.4824 11.4824 12.9375 12.9375 14.3439 14.3439 16.4197 16.4197 16.8934 16.8934 16.9908 16.9908 17.5330 17.5330 k = 0.4044 0.1656 0.6124 ( 2556 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0989 -8.0989 -8.0871 -8.0871 -0.9303 -0.9303 -0.9269 -0.9269 -0.0948 -0.0948 -0.0807 -0.0807 -0.0728 -0.0728 6.9960 6.9960 8.0400 8.0400 8.2657 8.2657 8.4724 8.4724 8.7763 8.7763 9.2063 9.2063 9.4887 9.4887 9.7755 9.7755 10.2167 10.2167 10.3504 10.3504 10.6475 10.6475 10.8152 10.8152 11.4805 11.4805 13.0673 13.0673 14.2269 14.2269 16.4808 16.4808 16.9165 16.9165 16.9737 16.9737 17.5137 17.5137 k = 0.3971 0.1783 0.6124 ( 2560 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0990 -8.0990 -8.0869 -8.0869 -0.9304 -0.9304 -0.9268 -0.9268 -0.0948 -0.0948 -0.0808 -0.0808 -0.0727 -0.0727 6.9936 6.9936 8.0471 8.0471 8.2582 8.2582 8.4732 8.4732 8.7745 8.7745 9.2327 9.2327 9.4585 9.4585 9.7734 9.7734 10.2176 10.2176 10.3697 10.3697 10.6449 10.6449 10.7815 10.7815 11.4791 11.4791 13.1923 13.1923 14.1120 14.1120 16.5363 16.5363 16.9135 16.9135 16.9789 16.9789 17.4934 17.4934 k = 0.3897 0.1910 0.6124 ( 2564 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0869 -8.0869 -0.9304 -0.9304 -0.9268 -0.9268 -0.0948 -0.0948 -0.0809 -0.0809 -0.0726 -0.0726 6.9919 6.9919 8.0527 8.0527 8.2521 8.2521 8.4739 8.4739 8.7734 8.7734 9.2578 9.2578 9.4304 9.4304 9.7719 9.7719 10.2179 10.2179 10.3856 10.3856 10.6453 10.6453 10.7534 10.7534 11.4780 11.4780 13.3072 13.3072 14.0043 14.0043 16.5834 16.5834 16.8922 16.8922 16.9983 16.9983 17.4749 17.4749 k = 0.3824 0.2038 0.6124 ( 2564 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0868 -8.0868 -0.9305 -0.9305 -0.9268 -0.9268 -0.0948 -0.0948 -0.0809 -0.0809 -0.0726 -0.0726 6.9909 6.9909 8.0564 8.0564 8.2482 8.2482 8.4743 8.4743 8.7728 8.7728 9.2783 9.2783 9.4081 9.4081 9.7710 9.7710 10.2180 10.2180 10.3963 10.3963 10.6478 10.6478 10.7334 10.7334 11.4774 11.4774 13.3989 13.3989 13.9170 13.9170 16.6172 16.6172 16.8721 16.8721 17.0139 17.0139 17.4616 17.4616 k = 0.3750 0.2165 0.6124 ( 2574 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0868 -8.0868 -0.9305 -0.9305 -0.9268 -0.9268 -0.0948 -0.0948 -0.0809 -0.0809 -0.0726 -0.0726 6.9905 6.9905 8.0577 8.0577 8.2468 8.2468 8.4745 8.4745 8.7726 8.7726 9.2870 9.2870 9.3987 9.3987 9.7707 9.7707 10.2180 10.2180 10.4000 10.4000 10.6493 10.6493 10.7258 10.7258 11.4772 11.4772 13.4374 13.4374 13.8799 13.8799 16.6300 16.6300 16.8637 16.8637 17.0197 17.0197 17.4568 17.4568 k = 0.3750 0.2165 0.6124 ( 2574 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0868 -8.0868 -0.9305 -0.9305 -0.9268 -0.9268 -0.0948 -0.0948 -0.0809 -0.0809 -0.0726 -0.0726 6.9905 6.9905 8.0577 8.0577 8.2468 8.2468 8.4745 8.4745 8.7726 8.7726 9.2870 9.2870 9.3987 9.3987 9.7707 9.7707 10.2180 10.2180 10.4000 10.4000 10.6493 10.6493 10.7258 10.7258 11.4772 11.4772 13.4374 13.4374 13.8799 13.8799 16.6300 16.6300 16.8637 16.8637 17.0197 17.0197 17.4568 17.4568 k = 0.3673 0.2121 0.5999 ( 2570 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0990 -8.0990 -8.0869 -8.0869 -0.9300 -0.9300 -0.9268 -0.9268 -0.0944 -0.0944 -0.0808 -0.0808 -0.0726 -0.0726 6.9867 6.9867 8.0790 8.0790 8.2542 8.2542 8.4784 8.4784 8.7680 8.7680 9.2744 9.2744 9.3917 9.3917 9.7686 9.7686 10.2029 10.2029 10.3782 10.3782 10.5838 10.5838 10.7457 10.7457 11.4799 11.4799 13.4900 13.4900 13.9545 13.9545 16.6018 16.6018 16.8607 16.8607 17.1007 17.1007 17.4319 17.4319 k = 0.3597 0.2077 0.5874 ( 2570 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0989 -8.0989 -8.0870 -8.0870 -0.9297 -0.9297 -0.9268 -0.9268 -0.0939 -0.0939 -0.0807 -0.0807 -0.0725 -0.0725 6.9808 6.9808 8.0996 8.0996 8.2631 8.2631 8.4817 8.4817 8.7656 8.7656 9.2582 9.2582 9.3850 9.3850 9.7656 9.7656 10.1844 10.1844 10.3563 10.3563 10.5113 10.5113 10.7848 10.7848 11.4833 11.4833 13.5433 13.5433 14.0327 14.0327 16.5701 16.5701 16.8606 16.8606 17.1861 17.1861 17.4042 17.4042 k = 0.3520 0.2033 0.5749 ( 2558 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0987 -8.0987 -8.0871 -8.0871 -0.9293 -0.9293 -0.9267 -0.9267 -0.0935 -0.0935 -0.0806 -0.0806 -0.0725 -0.0725 6.9725 6.9725 8.1187 8.1187 8.2737 8.2737 8.4841 8.4841 8.7655 8.7655 9.2387 9.2387 9.3784 9.3784 9.7617 9.7617 10.1629 10.1629 10.3363 10.3363 10.4459 10.4459 10.8282 10.8282 11.4873 11.4873 13.5974 13.5974 14.1146 14.1146 16.5347 16.5347 16.8645 16.8645 17.2749 17.2749 17.3745 17.3745 k = 0.3444 0.1988 0.5624 ( 2556 PWs) bands (ev): -28.4590 -28.4590 -9.5113 -9.5113 -8.0986 -8.0986 -8.0870 -8.0870 -0.9290 -0.9290 -0.9267 -0.9267 -0.0932 -0.0932 -0.0805 -0.0805 -0.0724 -0.0724 6.9615 6.9615 8.1358 8.1358 8.2860 8.2860 8.4857 8.4857 8.7675 8.7675 9.2166 9.2166 9.3717 9.3717 9.7570 9.7570 10.1391 10.1391 10.3189 10.3189 10.3894 10.3894 10.8733 10.8733 11.4920 11.4920 13.6523 13.6523 14.2003 14.2003 16.4958 16.4958 16.8728 16.8728 17.3435 17.3435 17.3665 17.3665 k = 0.3367 0.1944 0.5499 ( 2556 PWs) bands (ev): -28.4590 -28.4590 -9.5113 -9.5113 -8.0986 -8.0986 -8.0870 -8.0870 -0.9288 -0.9288 -0.9266 -0.9266 -0.0929 -0.0929 -0.0804 -0.0804 -0.0724 -0.0724 6.9476 6.9476 8.1502 8.1502 8.2997 8.2997 8.4865 8.4865 8.7712 8.7712 9.1931 9.1931 9.3647 9.3647 9.7519 9.7519 10.1145 10.1145 10.3028 10.3028 10.3430 10.3430 10.9190 10.9190 11.4973 11.4973 13.7078 13.7078 14.2901 14.2901 16.4535 16.4535 16.8852 16.8852 17.3120 17.3120 17.4601 17.4601 k = 0.3291 0.1900 0.5374 ( 2556 PWs) bands (ev): -28.4590 -28.4590 -9.5113 -9.5113 -8.0985 -8.0985 -8.0868 -8.0868 -0.9286 -0.9286 -0.9264 -0.9264 -0.0926 -0.0926 -0.0803 -0.0803 -0.0723 -0.0723 6.9304 6.9304 8.1616 8.1616 8.3145 8.3145 8.4864 8.4864 8.7761 8.7761 9.1696 9.1696 9.3573 9.3573 9.7471 9.7471 10.0908 10.0908 10.2814 10.2814 10.3123 10.3123 10.9649 10.9649 11.5034 11.5034 13.7641 13.7641 14.3838 14.3838 16.4080 16.4080 16.9018 16.9018 17.2804 17.2804 17.5554 17.5554 k = 0.3214 0.1856 0.5249 ( 2556 PWs) bands (ev): -28.4591 -28.4591 -9.5112 -9.5112 -8.0985 -8.0985 -8.0866 -8.0866 -0.9286 -0.9286 -0.9262 -0.9262 -0.0924 -0.0924 -0.0802 -0.0802 -0.0722 -0.0722 6.9097 6.9097 8.1698 8.1698 8.3296 8.3296 8.4856 8.4856 8.7810 8.7810 9.1486 9.1486 9.3494 9.3494 9.7431 9.7431 10.0693 10.0693 10.2509 10.2509 10.2992 10.2992 11.0105 11.0105 11.5104 11.5104 13.8210 13.8210 14.4816 14.4816 16.3594 16.3594 16.9219 16.9219 17.2493 17.2493 17.6517 17.6517 k = 0.3138 0.1812 0.5124 ( 2554 PWs) bands (ev): -28.4591 -28.4591 -9.5111 -9.5111 -8.0984 -8.0984 -8.0864 -8.0864 -0.9286 -0.9286 -0.9260 -0.9260 -0.0923 -0.0923 -0.0802 -0.0802 -0.0722 -0.0722 6.8852 6.8852 8.1747 8.1747 8.3441 8.3441 8.4842 8.4842 8.7846 8.7846 9.1328 9.1328 9.3411 9.3411 9.7404 9.7404 10.0507 10.0507 10.2205 10.2205 10.2934 10.2934 11.0557 11.0557 11.5185 11.5185 13.8787 13.8787 14.5833 14.5833 16.3080 16.3080 16.9451 16.9451 17.2193 17.2193 17.7476 17.7476 k = 0.3061 0.1767 0.4999 ( 2552 PWs) bands (ev): -28.4591 -28.4591 -9.5111 -9.5111 -8.0984 -8.0984 -8.0861 -8.0861 -0.9286 -0.9286 -0.9258 -0.9258 -0.0921 -0.0921 -0.0802 -0.0802 -0.0721 -0.0721 6.8567 6.8567 8.1764 8.1764 8.3572 8.3572 8.4823 8.4823 8.7852 8.7852 9.1253 9.1253 9.3326 9.3326 9.7395 9.7395 10.0352 10.0352 10.1930 10.1930 10.2910 10.2910 11.1002 11.1002 11.5281 11.5281 13.9371 13.9371 14.6888 14.6888 16.2540 16.2540 16.9702 16.9702 17.1914 17.1914 17.8400 17.8400 k = 0.2985 0.1723 0.4874 ( 2544 PWs) bands (ev): -28.4591 -28.4591 -9.5110 -9.5110 -8.0983 -8.0983 -8.0858 -8.0858 -0.9286 -0.9286 -0.9255 -0.9255 -0.0921 -0.0921 -0.0801 -0.0801 -0.0720 -0.0720 6.8241 6.8241 8.1751 8.1751 8.3682 8.3682 8.4802 8.4802 8.7817 8.7817 9.1281 9.1281 9.3243 9.3243 9.7406 9.7406 10.0225 10.0225 10.1688 10.1688 10.2908 10.2908 11.1438 11.1438 11.5394 11.5394 13.9962 13.9962 14.7978 14.7978 16.1975 16.1975 16.9950 16.9950 17.1677 17.1677 17.9154 17.9154 k = 0.2908 0.1679 0.4749 ( 2554 PWs) bands (ev): -28.4592 -28.4592 -9.5109 -9.5109 -8.0982 -8.0982 -8.0855 -8.0855 -0.9287 -0.9287 -0.9253 -0.9253 -0.0920 -0.0920 -0.0801 -0.0801 -0.0720 -0.0720 6.7870 6.7870 8.1709 8.1709 8.3766 8.3766 8.4782 8.4782 8.7740 8.7740 9.1420 9.1420 9.3164 9.3164 9.7438 9.7438 10.0121 10.0121 10.1480 10.1480 10.2925 10.2925 11.1862 11.1862 11.5529 11.5529 14.0560 14.0560 14.9099 14.9099 16.1389 16.1389 17.0146 17.0146 17.1525 17.1525 17.9238 17.9238 k = 0.2832 0.1635 0.4624 ( 2554 PWs) bands (ev): -28.4592 -28.4592 -9.5108 -9.5108 -8.0981 -8.0981 -8.0851 -8.0851 -0.9288 -0.9288 -0.9251 -0.9251 -0.0921 -0.0921 -0.0801 -0.0801 -0.0720 -0.0720 6.7457 6.7457 8.1643 8.1643 8.3820 8.3820 8.4763 8.4763 8.7631 8.7631 9.1657 9.1657 9.3098 9.3098 9.7489 9.7489 10.0036 10.0036 10.1309 10.1309 10.2957 10.2957 11.2272 11.2272 11.5693 11.5693 14.1166 14.1166 15.0246 15.0246 16.0784 16.0784 17.0212 17.0212 17.1530 17.1530 17.8731 17.8731 k = 0.2755 0.1591 0.4499 ( 2548 PWs) bands (ev): -28.4592 -28.4592 -9.5106 -9.5106 -8.0979 -8.0979 -8.0848 -8.0848 -0.9289 -0.9289 -0.9250 -0.9250 -0.0921 -0.0921 -0.0802 -0.0802 -0.0720 -0.0720 6.7000 6.7000 8.1556 8.1556 8.3845 8.3845 8.4746 8.4746 8.7507 8.7507 9.1957 9.1957 9.3066 9.3066 9.7558 9.7558 9.9964 9.9964 10.1177 10.1177 10.3003 10.3003 11.2662 11.2662 11.5892 11.5892 14.1780 14.1780 15.1411 15.1411 16.0164 16.0164 17.0122 17.0122 17.1709 17.1709 17.8082 17.8082 k = 0.2679 0.1546 0.4374 ( 2542 PWs) bands (ev): -28.4593 -28.4593 -9.5105 -9.5105 -8.0977 -8.0977 -8.0844 -8.0844 -0.9290 -0.9290 -0.9249 -0.9249 -0.0922 -0.0922 -0.0802 -0.0802 -0.0720 -0.0720 6.6500 6.6500 8.1456 8.1456 8.3841 8.3841 8.4731 8.4731 8.7378 8.7378 9.2245 9.2245 9.3127 9.3127 9.7643 9.7643 9.9898 9.9898 10.1088 10.1088 10.3060 10.3060 11.3029 11.3029 11.6136 11.6136 14.2401 14.2401 15.2581 15.2581 15.9538 15.9538 16.9935 16.9935 17.1993 17.1993 17.7402 17.7402 k = 0.2602 0.1502 0.4249 ( 2546 PWs) bands (ev): -28.4593 -28.4593 -9.5103 -9.5103 -8.0975 -8.0975 -8.0840 -8.0840 -0.9291 -0.9291 -0.9248 -0.9248 -0.0923 -0.0923 -0.0803 -0.0803 -0.0721 -0.0721 6.5962 6.5962 8.1348 8.1348 8.3813 8.3813 8.4715 8.4715 8.7253 8.7253 9.2400 9.2400 9.3387 9.3387 9.7741 9.7741 9.9834 9.9834 10.1045 10.1045 10.3127 10.3127 11.3369 11.3369 11.6431 11.6431 14.3031 14.3031 15.3732 15.3732 15.8922 15.8922 16.9704 16.9704 17.2310 17.2310 17.6729 17.6729 k = 0.2526 0.1458 0.4124 ( 2548 PWs) bands (ev): -28.4593 -28.4593 -9.5101 -9.5101 -8.0972 -8.0972 -8.0836 -8.0836 -0.9292 -0.9292 -0.9247 -0.9247 -0.0924 -0.0924 -0.0804 -0.0804 -0.0722 -0.0722 6.5386 6.5386 8.1239 8.1239 8.3765 8.3765 8.4698 8.4698 8.7134 8.7134 9.2416 9.2416 9.3839 9.3839 9.7851 9.7851 9.9772 9.9772 10.1049 10.1049 10.3203 10.3203 11.3681 11.3681 11.6783 11.6783 14.3669 14.3669 15.4808 15.4808 15.8359 15.8359 16.9458 16.9458 17.2617 17.2617 17.6084 17.6084 k = 0.2449 0.1414 0.3999 ( 2550 PWs) bands (ev): -28.4594 -28.4594 -9.5099 -9.5099 -8.0968 -8.0968 -8.0832 -8.0832 -0.9294 -0.9294 -0.9247 -0.9247 -0.0925 -0.0925 -0.0805 -0.0805 -0.0724 -0.0724 6.4778 6.4778 8.1135 8.1135 8.3701 8.3701 8.4677 8.4677 8.7023 8.7023 9.2370 9.2370 9.4395 9.4395 9.7969 9.7969 9.9712 9.9712 10.1096 10.1096 10.3286 10.3286 11.3967 11.3967 11.7194 11.7194 14.4316 14.4316 15.5639 15.5639 15.8005 15.8005 16.9208 16.9208 17.2880 17.2880 17.5490 17.5490 k = 0.2372 0.1370 0.3874 ( 2551 PWs) bands (ev): -28.4594 -28.4594 -9.5097 -9.5097 -8.0964 -8.0964 -8.0828 -8.0828 -0.9295 -0.9295 -0.9247 -0.9247 -0.0927 -0.0927 -0.0806 -0.0806 -0.0726 -0.0726 6.4142 6.4142 8.1039 8.1039 8.3625 8.3625 8.4653 8.4653 8.6917 8.6917 9.2300 9.2300 9.5006 9.5006 9.8096 9.8096 9.9656 9.9656 10.1186 10.1186 10.3376 10.3376 11.4233 11.4233 11.7664 11.7664 14.4971 14.4971 15.5828 15.5828 15.8232 15.8232 16.8964 16.8964 17.3069 17.3069 17.4966 17.4966 k = 0.2296 0.1326 0.3749 ( 2553 PWs) bands (ev): -28.4595 -28.4595 -9.5095 -9.5095 -8.0960 -8.0960 -8.0824 -8.0824 -0.9296 -0.9296 -0.9248 -0.9248 -0.0928 -0.0928 -0.0808 -0.0808 -0.0728 -0.0728 6.3482 6.3482 8.0956 8.0956 8.3540 8.3540 8.4624 8.4624 8.6813 8.6813 9.2220 9.2220 9.5647 9.5647 9.8230 9.8230 9.9608 9.9608 10.1314 10.1314 10.3470 10.3470 11.4486 11.4486 11.8191 11.8191 14.5635 14.5635 15.5421 15.5421 15.8963 15.8963 16.8741 16.8741 17.3155 17.3155 17.4541 17.4541 k = 0.2219 0.1281 0.3624 ( 2549 PWs) bands (ev): -28.4595 -28.4595 -9.5093 -9.5093 -8.0955 -8.0955 -8.0820 -8.0820 -0.9298 -0.9298 -0.9249 -0.9249 -0.0930 -0.0930 -0.0809 -0.0809 -0.0731 -0.0731 6.2804 6.2804 8.0887 8.0887 8.3449 8.3449 8.4592 8.4592 8.6710 8.6710 9.2135 9.2135 9.6300 9.6300 9.8375 9.8375 9.9568 9.9568 10.1478 10.1478 10.3569 10.3569 11.4736 11.4736 11.8770 11.8770 14.6306 14.6306 15.4802 15.4802 15.9768 15.9768 16.8555 16.8555 17.3102 17.3102 17.4261 17.4261 k = 0.2143 0.1237 0.3499 ( 2557 PWs) bands (ev): -28.4596 -28.4596 -9.5091 -9.5091 -8.0949 -8.0949 -8.0817 -8.0817 -0.9299 -0.9299 -0.9250 -0.9250 -0.0932 -0.0932 -0.0811 -0.0811 -0.0735 -0.0735 6.2112 6.2112 8.0834 8.0834 8.3354 8.3354 8.4555 8.4555 8.6605 8.6605 9.2047 9.2047 9.6940 9.6940 9.8544 9.8544 9.9538 9.9538 10.1676 10.1676 10.3670 10.3670 11.4990 11.4990 11.9398 11.9398 14.6986 14.6986 15.4112 15.4112 16.0453 16.0453 16.8429 16.8429 17.2870 17.2870 17.4194 17.4194 k = 0.2066 0.1193 0.3374 ( 2553 PWs) bands (ev): -28.4596 -28.4596 -9.5088 -9.5088 -8.0943 -8.0943 -8.0813 -8.0813 -0.9300 -0.9300 -0.9252 -0.9252 -0.0934 -0.0934 -0.0813 -0.0813 -0.0738 -0.0738 6.1412 6.1412 8.0797 8.0797 8.3258 8.3258 8.4515 8.4515 8.6496 8.6496 9.1959 9.1959 9.7524 9.7524 9.8767 9.8767 9.9521 9.9521 10.1906 10.1906 10.3774 10.3774 11.5259 11.5259 12.0072 12.0072 14.7671 14.7671 15.3395 15.3395 16.0930 16.0930 16.8377 16.8377 17.2471 17.2471 17.4376 17.4376 k = 0.1990 0.1149 0.3249 ( 2565 PWs) bands (ev): -28.4597 -28.4597 -9.5086 -9.5086 -8.0937 -8.0937 -8.0810 -8.0810 -0.9302 -0.9302 -0.9254 -0.9254 -0.0935 -0.0935 -0.0816 -0.0816 -0.0743 -0.0743 6.0708 6.0708 8.0775 8.0775 8.3161 8.3161 8.4472 8.4472 8.6383 8.6383 9.1871 9.1871 9.7980 9.7980 9.9099 9.9099 9.9523 9.9523 10.2166 10.2166 10.3880 10.3880 11.5549 11.5549 12.0788 12.0788 14.8359 14.8359 15.2669 15.2669 16.1157 16.1157 16.8396 16.8396 17.1948 17.1948 17.4813 17.4813 k = 0.1913 0.1105 0.3124 ( 2553 PWs) bands (ev): -28.4598 -28.4598 -9.5083 -9.5083 -8.0930 -8.0930 -8.0806 -8.0806 -0.9303 -0.9303 -0.9256 -0.9256 -0.0937 -0.0937 -0.0818 -0.0818 -0.0747 -0.0747 6.0005 6.0005 8.0769 8.0769 8.3066 8.3066 8.4426 8.4426 8.6266 8.6266 9.1785 9.1785 9.8269 9.8269 9.9437 9.9437 9.9675 9.9675 10.2457 10.2457 10.3987 10.3987 11.5870 11.5870 12.1545 12.1545 14.9037 14.9037 15.1954 15.1954 16.1146 16.1146 16.8457 16.8457 17.1338 17.1338 17.5511 17.5511 k = 0.1837 0.1060 0.2999 ( 2555 PWs) bands (ev): -28.4598 -28.4598 -9.5080 -9.5080 -8.0922 -8.0922 -8.0803 -8.0803 -0.9304 -0.9304 -0.9259 -0.9259 -0.0939 -0.0939 -0.0820 -0.0820 -0.0752 -0.0752 5.9306 5.9306 8.0776 8.0776 8.2974 8.2974 8.4378 8.4378 8.6143 8.6143 9.1701 9.1701 9.8445 9.8445 9.9486 9.9486 10.0209 10.0209 10.2775 10.2775 10.4096 10.4096 11.6228 11.6228 12.2340 12.2340 14.9655 14.9655 15.1307 15.1307 16.0939 16.0939 16.8531 16.8531 17.0664 17.0664 17.6453 17.6453 k = 0.1760 0.1016 0.2874 ( 2563 PWs) bands (ev): -28.4599 -28.4599 -9.5077 -9.5077 -8.0915 -8.0915 -8.0800 -8.0800 -0.9306 -0.9306 -0.9262 -0.9262 -0.0941 -0.0941 -0.0823 -0.0823 -0.0758 -0.0758 5.8615 5.8615 8.0797 8.0797 8.2885 8.2885 8.4327 8.4327 8.6015 8.6015 9.1621 9.1621 9.8563 9.8563 9.9502 9.9502 10.0800 10.0800 10.3117 10.3117 10.4208 10.4208 11.6633 11.6633 12.3169 12.3169 14.9890 14.9890 15.1055 15.1055 16.0592 16.0592 16.8596 16.8596 16.9944 16.9944 17.7606 17.7606 k = 0.1684 0.0972 0.2749 ( 2561 PWs) bands (ev): -28.4599 -28.4599 -9.5074 -9.5074 -8.0907 -8.0907 -8.0797 -8.0797 -0.9307 -0.9307 -0.9265 -0.9265 -0.0942 -0.0942 -0.0826 -0.0826 -0.0764 -0.0764 5.7935 5.7935 8.0829 8.0829 8.2801 8.2801 8.4274 8.4274 8.5882 8.5882 9.1545 9.1545 9.8652 9.8652 9.9518 9.9518 10.1382 10.1382 10.3476 10.3476 10.4329 10.4329 11.7090 11.7090 12.4031 12.4031 14.9414 14.9414 15.1528 15.1528 16.0152 16.0152 16.8646 16.8646 16.9195 16.9195 17.8925 17.8925 k = 0.1607 0.0928 0.2624 ( 2561 PWs) bands (ev): -28.4600 -28.4600 -9.5072 -9.5072 -8.0898 -8.0898 -8.0794 -8.0794 -0.9308 -0.9308 -0.9268 -0.9268 -0.0944 -0.0944 -0.0829 -0.0829 -0.0770 -0.0770 5.7270 5.7270 8.0871 8.0871 8.2723 8.2723 8.4219 8.4219 8.5745 8.5745 9.1475 9.1475 9.8723 9.8723 9.9532 9.9532 10.1936 10.1936 10.3832 10.3832 10.4473 10.4473 11.7608 11.7608 12.4920 12.4920 14.8740 14.8740 15.2218 15.2218 15.9659 15.9659 16.8416 16.8416 16.8693 16.8693 18.0367 18.0367 k = 0.1531 0.0884 0.2499 ( 2571 PWs) bands (ev): -28.4601 -28.4601 -9.5069 -9.5069 -8.0890 -8.0890 -8.0792 -8.0792 -0.9309 -0.9309 -0.9271 -0.9271 -0.0945 -0.0945 -0.0832 -0.0832 -0.0776 -0.0776 5.6622 5.6622 8.0922 8.0922 8.2651 8.2651 8.4161 8.4161 8.5604 8.5604 9.1411 9.1411 9.8782 9.8782 9.9545 9.9545 10.2456 10.2456 10.4139 10.4139 10.4676 10.4676 11.8190 11.8190 12.5834 12.5834 14.8037 14.8037 15.2959 15.2959 15.9140 15.9140 16.7634 16.7634 16.8721 16.8721 18.1890 18.1890 k = 0.1454 0.0840 0.2375 ( 2567 PWs) bands (ev): -28.4601 -28.4601 -9.5066 -9.5066 -8.0881 -8.0881 -8.0790 -8.0790 -0.9311 -0.9311 -0.9275 -0.9275 -0.0947 -0.0947 -0.0834 -0.0834 -0.0783 -0.0783 5.5994 5.5994 8.0980 8.0980 8.2585 8.2585 8.4102 8.4102 8.5459 8.5459 9.1354 9.1354 9.8834 9.8834 9.9554 9.9554 10.2943 10.2943 10.4352 10.4352 10.4973 10.4973 11.8842 11.8842 12.6767 12.6767 14.7336 14.7336 15.3723 15.3723 15.8617 15.8617 16.6840 16.6840 16.8749 16.8749 18.3443 18.3443 k = 0.1378 0.0795 0.2250 ( 2577 PWs) bands (ev): -28.4602 -28.4602 -9.5063 -9.5063 -8.0873 -8.0873 -8.0787 -8.0787 -0.9312 -0.9312 -0.9278 -0.9278 -0.0948 -0.0948 -0.0837 -0.0837 -0.0789 -0.0789 5.5387 5.5387 8.1046 8.1046 8.2527 8.2527 8.4042 8.4042 8.5312 8.5312 9.1305 9.1305 9.8879 9.8879 9.9560 9.9560 10.3396 10.3396 10.4497 10.4497 10.5330 10.5330 11.9566 11.9566 12.7714 12.7714 14.6646 14.6646 15.4503 15.4503 15.8108 15.8108 16.6038 16.6038 16.8777 16.8777 18.4913 18.4913 k = 0.1301 0.0751 0.2125 ( 2577 PWs) bands (ev): -28.4603 -28.4603 -9.5060 -9.5060 -8.0864 -8.0864 -8.0785 -8.0785 -0.9313 -0.9313 -0.9282 -0.9282 -0.0950 -0.0950 -0.0840 -0.0840 -0.0796 -0.0796 5.4805 5.4805 8.1116 8.1116 8.2477 8.2477 8.3979 8.3979 8.5163 8.5163 9.1264 9.1264 9.8920 9.8920 9.9560 9.9560 10.3816 10.3816 10.4617 10.4617 10.5699 10.5699 12.0363 12.0363 12.8668 12.8668 14.5976 14.5976 15.5295 15.5295 15.7628 15.7628 16.5229 16.5229 16.8806 16.8806 18.5784 18.5784 k = 0.1224 0.0707 0.2000 ( 2589 PWs) bands (ev): -28.4603 -28.4603 -9.5057 -9.5057 -8.0855 -8.0855 -8.0783 -8.0783 -0.9314 -0.9314 -0.9286 -0.9286 -0.0951 -0.0951 -0.0843 -0.0843 -0.0803 -0.0803 5.4247 5.4247 8.1192 8.1192 8.2435 8.2435 8.3915 8.3915 8.5013 8.5013 9.1231 9.1231 9.8957 9.8957 9.9555 9.9555 10.4188 10.4188 10.4749 10.4749 10.6053 10.6053 12.1229 12.1229 12.9622 12.9622 14.5331 14.5331 15.6091 15.6091 15.7193 15.7193 16.4413 16.4413 16.8838 16.8838 18.5070 18.5070 k = 0.1148 0.0663 0.1875 ( 2589 PWs) bands (ev): -28.4604 -28.4604 -9.5054 -9.5054 -8.0846 -8.0846 -8.0782 -8.0782 -0.9315 -0.9315 -0.9289 -0.9289 -0.0952 -0.0952 -0.0846 -0.0846 -0.0809 -0.0809 5.3717 5.3717 8.1272 8.1272 8.2400 8.2400 8.3850 8.3850 8.4862 8.4862 9.1206 9.1206 9.8991 9.8991 9.9545 9.9545 10.4469 10.4469 10.4944 10.4944 10.6383 10.6383 12.2162 12.2162 13.0567 13.0567 14.4715 14.4715 15.6706 15.6706 15.6999 15.6999 16.3588 16.3588 16.8873 16.8873 18.3768 18.3768 k = 0.1071 0.0619 0.1750 ( 2589 PWs) bands (ev): -28.4604 -28.4604 -9.5052 -9.5052 -8.0838 -8.0838 -8.0780 -8.0780 -0.9316 -0.9316 -0.9293 -0.9293 -0.0954 -0.0954 -0.0849 -0.0849 -0.0816 -0.0816 5.3216 5.3216 8.1355 8.1355 8.2374 8.2374 8.3783 8.3783 8.4711 8.4711 9.1189 9.1189 9.9023 9.9023 9.9530 9.9530 10.4630 10.4630 10.5237 10.5237 10.6684 10.6684 12.3156 12.3156 13.1494 13.1494 14.4134 14.4134 15.6442 15.6442 15.7750 15.7750 16.2752 16.2752 16.8912 16.8912 18.2344 18.2344 k = 0.0995 0.0574 0.1625 ( 2585 PWs) bands (ev): -28.4605 -28.4605 -9.5049 -9.5049 -8.0830 -8.0830 -8.0778 -8.0778 -0.9317 -0.9317 -0.9297 -0.9297 -0.0955 -0.0955 -0.0851 -0.0851 -0.0822 -0.0822 5.2744 5.2744 8.1441 8.1441 8.2356 8.2356 8.3714 8.3714 8.4559 8.4559 9.1180 9.1180 9.9052 9.9052 9.9511 9.9511 10.4723 10.4723 10.5576 10.5576 10.6954 10.6954 12.4201 12.4201 13.2392 13.2392 14.3595 14.3595 15.6191 15.6191 15.8553 15.8553 16.1914 16.1914 16.8954 16.8954 18.0894 18.0894 k = 0.0918 0.0530 0.1500 ( 2581 PWs) bands (ev): -28.4605 -28.4605 -9.5047 -9.5047 -8.0822 -8.0822 -8.0777 -8.0777 -0.9318 -0.9318 -0.9300 -0.9300 -0.0956 -0.0956 -0.0854 -0.0854 -0.0828 -0.0828 5.2303 5.2303 8.1529 8.1529 8.2346 8.2346 8.3644 8.3644 8.4409 8.4409 9.1178 9.1178 9.9078 9.9078 9.9488 9.9488 10.4788 10.4788 10.5922 10.5922 10.7194 10.7194 12.5288 12.5288 13.3251 13.3251 14.3104 14.3104 15.6017 15.6017 15.9294 15.9294 16.1124 16.1124 16.8999 16.8999 17.9466 17.9466 k = 0.0842 0.0486 0.1375 ( 2577 PWs) bands (ev): -28.4605 -28.4605 -9.5044 -9.5044 -8.0814 -8.0814 -8.0776 -8.0776 -0.9319 -0.9319 -0.9304 -0.9304 -0.0957 -0.0957 -0.0856 -0.0856 -0.0834 -0.0834 5.1894 5.1894 8.1620 8.1620 8.2343 8.2343 8.3573 8.3573 8.4260 8.4260 9.1183 9.1183 9.9103 9.9103 9.9461 9.9461 10.4838 10.4838 10.6260 10.6260 10.7406 10.7406 12.6405 12.6405 13.4062 13.4062 14.2667 14.2667 15.5931 15.5931 15.9541 15.9541 16.0806 16.0806 16.9048 16.9048 17.8090 17.8090 k = 0.0765 0.0442 0.1250 ( 2579 PWs) bands (ev): -28.4606 -28.4606 -9.5042 -9.5042 -8.0807 -8.0807 -8.0775 -8.0775 -0.9319 -0.9319 -0.9307 -0.9307 -0.0958 -0.0958 -0.0858 -0.0858 -0.0840 -0.0840 5.1518 5.1518 8.1712 8.1712 8.2349 8.2349 8.3500 8.3500 8.4112 8.4112 9.1193 9.1193 9.9125 9.9125 9.9433 9.9433 10.4879 10.4879 10.6585 10.6585 10.7590 10.7590 12.7534 12.7534 13.4818 13.4818 14.2291 14.2291 15.5935 15.5935 15.8856 15.8856 16.1400 16.1400 16.9099 16.9099 17.6790 17.6790 k = 0.0689 0.0398 0.1125 ( 2579 PWs) bands (ev): -28.4606 -28.4606 -9.5040 -9.5040 -8.0800 -8.0800 -8.0774 -8.0774 -0.9320 -0.9320 -0.9310 -0.9310 -0.0959 -0.0959 -0.0860 -0.0860 -0.0845 -0.0845 5.1175 5.1175 8.1807 8.1807 8.2362 8.2362 8.3427 8.3427 8.3966 8.3966 9.1207 9.1207 9.9145 9.9145 9.9404 9.9404 10.4913 10.4913 10.6892 10.6892 10.7751 10.7751 12.8656 12.8656 13.5519 13.5519 14.1981 14.1981 15.6006 15.6006 15.7953 15.7953 16.2210 16.2210 16.9153 16.9153 17.5585 17.5585 k = 0.0612 0.0353 0.1000 ( 2583 PWs) bands (ev): -28.4607 -28.4607 -9.5038 -9.5038 -8.0794 -8.0794 -8.0773 -8.0773 -0.9321 -0.9321 -0.9312 -0.9312 -0.0960 -0.0960 -0.0862 -0.0862 -0.0850 -0.0850 5.0867 5.0867 8.1903 8.1903 8.2382 8.2382 8.3353 8.3353 8.3822 8.3822 9.1224 9.1224 9.9163 9.9163 9.9374 9.9374 10.4941 10.4941 10.7178 10.7178 10.7888 10.7888 12.9742 12.9742 13.6176 13.6176 14.1740 14.1740 15.5992 15.5992 15.7162 15.7162 16.3059 16.3059 16.9211 16.9211 17.4488 17.4488 k = 0.0536 0.0309 0.0875 ( 2583 PWs) bands (ev): -28.4607 -28.4607 -9.5037 -9.5037 -8.0789 -8.0789 -8.0772 -8.0772 -0.9321 -0.9321 -0.9315 -0.9315 -0.0960 -0.0960 -0.0864 -0.0864 -0.0854 -0.0854 5.0594 5.0594 8.2001 8.2001 8.2409 8.2409 8.3279 8.3279 8.3681 8.3681 9.1243 9.1243 9.9178 9.9178 9.9345 9.9345 10.4965 10.4965 10.7440 10.7440 10.8005 10.8005 13.0757 13.0757 13.6814 13.6814 14.1566 14.1566 15.5374 15.5374 15.7025 15.7025 16.3912 16.3912 16.9272 16.9272 17.3511 17.3511 k = 0.0459 0.0265 0.0750 ( 2597 PWs) bands (ev): -28.4607 -28.4607 -9.5035 -9.5035 -8.0784 -8.0784 -8.0772 -8.0772 -0.9322 -0.9322 -0.9317 -0.9317 -0.0961 -0.0961 -0.0865 -0.0865 -0.0858 -0.0858 5.0356 5.0356 8.2102 8.2102 8.2442 8.2442 8.3205 8.3205 8.3543 8.3543 9.1263 9.1263 9.9192 9.9192 9.9317 9.9317 10.4984 10.4984 10.7674 10.7674 10.8104 10.8104 13.1655 13.1655 13.7469 13.7469 14.1451 14.1451 15.4342 15.4342 15.7361 15.7361 16.4749 16.4749 16.9339 16.9339 17.2664 17.2664 k = 0.0383 0.0221 0.0625 ( 2597 PWs) bands (ev): -28.4608 -28.4608 -9.5034 -9.5034 -8.0780 -8.0780 -8.0771 -8.0771 -0.9322 -0.9322 -0.9319 -0.9319 -0.0962 -0.0962 -0.0866 -0.0866 -0.0861 -0.0861 5.0154 5.0154 8.2204 8.2204 8.2481 8.2481 8.3132 8.3132 8.3407 8.3407 9.1282 9.1282 9.9203 9.9203 9.9292 9.9292 10.4999 10.4999 10.7877 10.7877 10.8185 10.8185 13.2397 13.2397 13.8180 13.8180 14.1384 14.1384 15.3217 15.3217 15.7844 15.7844 16.5541 16.5541 16.9421 16.9421 17.1960 17.1960 k = 0.0306 0.0177 0.0500 ( 2615 PWs) bands (ev): -28.4608 -28.4608 -9.5033 -9.5033 -8.0776 -8.0776 -8.0771 -8.0771 -0.9323 -0.9323 -0.9321 -0.9321 -0.0962 -0.0962 -0.0867 -0.0867 -0.0864 -0.0864 4.9988 4.9988 8.2309 8.2309 8.2524 8.2524 8.3061 8.3061 8.3276 8.3276 9.1299 9.1299 9.9212 9.9212 9.9270 9.9270 10.5012 10.5012 10.8048 10.8048 10.8249 10.8249 13.2960 13.2960 13.8959 13.8959 14.1352 14.1352 15.2085 15.2085 15.8387 15.8387 16.6238 16.6238 16.9542 16.9542 17.1415 17.1415 k = 0.0230 0.0133 0.0375 ( 2627 PWs) bands (ev): -28.4608 -28.4608 -9.5032 -9.5032 -8.0774 -8.0774 -8.0770 -8.0770 -0.9323 -0.9323 -0.9322 -0.9322 -0.0962 -0.0962 -0.0868 -0.0868 -0.0866 -0.0866 4.9859 4.9859 8.2415 8.2415 8.2571 8.2571 8.2991 8.2991 8.3148 8.3148 9.1314 9.1314 9.9220 9.9220 9.9253 9.9253 10.5021 10.5021 10.8183 10.8183 10.8298 10.8298 13.3351 13.3351 13.9775 13.9775 14.1340 14.1340 15.1006 15.1006 15.8930 15.8930 16.6761 16.6761 16.9753 16.9753 17.1042 17.1042 k = 0.0153 0.0088 0.0250 ( 2637 PWs) bands (ev): -28.4609 -28.4609 -9.5032 -9.5032 -8.0772 -8.0772 -8.0770 -8.0770 -0.9323 -0.9323 -0.9323 -0.9323 -0.0963 -0.0963 -0.0869 -0.0869 -0.0868 -0.0868 4.9766 4.9766 8.2522 8.2522 8.2620 8.2620 8.2927 8.2927 8.3025 8.3025 9.1325 9.1325 9.9225 9.9225 9.9240 9.9240 10.5027 10.5027 10.8281 10.8281 10.8333 10.8333 13.3598 13.3598 14.0543 14.0543 14.1339 14.1339 15.0066 15.0066 15.9405 15.9405 16.7046 16.7046 17.0102 17.0102 17.0833 17.0833 k = 0.0077 0.0044 0.0125 ( 2637 PWs) bands (ev): -28.4609 -28.4609 -9.5032 -9.5032 -8.0770 -8.0770 -8.0770 -8.0770 -0.9323 -0.9323 -0.9323 -0.9323 -0.0963 -0.0963 -0.0869 -0.0869 -0.0869 -0.0869 4.9711 4.9711 8.2624 8.2624 8.2664 8.2664 8.2874 8.2874 8.2914 8.2914 9.1332 9.1332 9.9228 9.9228 9.9232 9.9232 10.5031 10.5031 10.8341 10.8341 10.8354 10.8354 13.3732 13.3732 14.1121 14.1121 14.1341 14.1341 14.9392 14.9392 15.9737 15.9737 16.7135 16.7135 17.0514 17.0514 17.0744 17.0744 k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): -28.4609 -28.4609 -9.5031 -9.5031 -8.0770 -8.0770 -8.0770 -8.0770 -0.9323 -0.9323 -0.9323 -0.9323 -0.0963 -0.0963 -0.0869 -0.0869 -0.0869 -0.0869 4.9692 4.9692 8.2685 8.2685 8.2685 8.2685 8.2850 8.2850 8.2850 8.2850 9.1334 9.1334 9.9229 9.9229 9.9229 9.9229 10.5032 10.5032 10.8361 10.8361 10.8361 10.8361 13.3774 13.3774 14.1342 14.1342 14.1342 14.1342 14.9140 14.9140 15.9857 15.9857 16.7146 16.7146 17.0722 17.0722 17.0722 17.0722 k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): -28.4609 -28.4609 -9.5031 -9.5031 -8.0770 -8.0770 -8.0770 -8.0770 -0.9323 -0.9323 -0.9323 -0.9323 -0.0963 -0.0963 -0.0869 -0.0869 -0.0869 -0.0869 4.9692 4.9692 8.2685 8.2685 8.2685 8.2685 8.2850 8.2850 8.2850 8.2850 9.1334 9.1334 9.9229 9.9229 9.9229 9.9229 10.5032 10.5032 10.8361 10.8361 10.8361 10.8361 13.3774 13.3774 14.1342 14.1342 14.1342 14.1342 14.9140 14.9140 15.9857 15.9857 16.7146 16.7146 17.0722 17.0722 17.0722 17.0722 k = 0.0125 0.0072 0.0051 ( 2637 PWs) bands (ev): -28.4609 -28.4609 -9.5032 -9.5032 -8.0770 -8.0770 -8.0770 -8.0770 -0.9323 -0.9323 -0.9323 -0.9323 -0.0963 -0.0963 -0.0869 -0.0869 -0.0869 -0.0869 4.9711 4.9711 8.2632 8.2632 8.2655 8.2655 8.2881 8.2881 8.2908 8.2908 9.1332 9.1332 9.9228 9.9228 9.9232 9.9232 10.5031 10.5031 10.8344 10.8344 10.8351 10.8351 13.3732 13.3732 14.1112 14.1112 14.1350 14.1350 14.9392 14.9392 15.9738 15.9738 16.7134 16.7134 17.0496 17.0496 17.0760 17.0760 k = 0.0250 0.0144 0.0102 ( 2637 PWs) bands (ev): -28.4609 -28.4609 -9.5032 -9.5032 -8.0772 -8.0772 -8.0770 -8.0770 -0.9323 -0.9323 -0.9323 -0.9323 -0.0963 -0.0963 -0.0869 -0.0869 -0.0868 -0.0868 4.9767 4.9767 8.2542 8.2542 8.2594 8.2594 8.2945 8.2945 8.3014 8.3014 9.1325 9.1325 9.9224 9.9224 9.9240 9.9240 10.5027 10.5027 10.8294 10.8294 10.8320 10.8320 13.3594 13.3594 14.0516 14.0516 14.1376 14.1376 15.0058 15.0058 15.9416 15.9416 16.7040 16.7040 16.9962 16.9962 17.0966 17.0966 k = 0.0375 0.0217 0.0153 ( 2625 PWs) bands (ev): -28.4608 -28.4608 -9.5032 -9.5032 -8.0774 -8.0774 -8.0770 -8.0770 -0.9323 -0.9323 -0.9322 -0.9322 -0.0962 -0.0962 -0.0868 -0.0868 -0.0866 -0.0866 4.9859 4.9859 8.2449 8.2449 8.2526 8.2526 8.3018 8.3018 8.3132 8.3132 9.1314 9.1314 9.9218 9.9218 9.9254 9.9254 10.5021 10.5021 10.8211 10.8211 10.8271 10.8271 13.3329 13.3329 13.9746 13.9746 14.1418 14.1418 15.0965 15.0965 15.8981 15.8981 16.6785 16.6785 16.9303 16.9303 17.1451 17.1451 k = 0.0500 0.0289 0.0204 ( 2616 PWs) bands (ev): -28.4608 -28.4608 -9.5033 -9.5033 -8.0776 -8.0776 -8.0771 -8.0771 -0.9322 -0.9322 -0.9321 -0.9321 -0.0962 -0.0962 -0.0867 -0.0867 -0.0864 -0.0864 4.9988 4.9988 8.2361 8.2361 8.2458 8.2458 8.3094 8.3094 8.3257 8.3257 9.1299 9.1299 9.9210 9.9210 9.9273 9.9273 10.5012 10.5012 10.8096 10.8096 10.8201 10.8201 13.2885 13.2885 13.8976 13.8976 14.1475 14.1475 15.1954 15.1954 15.8544 15.8544 16.6383 16.6383 16.8607 16.8607 17.2196 17.2196 k = 0.0625 0.0361 0.0255 ( 2610 PWs) bands (ev): -28.4608 -28.4608 -9.5034 -9.5034 -8.0780 -8.0780 -8.0771 -8.0771 -0.9321 -0.9321 -0.9320 -0.9320 -0.0962 -0.0962 -0.0866 -0.0866 -0.0862 -0.0862 5.0154 5.0154 8.2278 8.2278 8.2392 8.2392 8.3170 8.3170 8.3386 8.3386 9.1282 9.1282 9.9199 9.9199 9.9296 9.9296 10.4999 10.4999 10.7949 10.7949 10.8113 10.8113 13.2211 13.2211 13.8334 13.8334 14.1547 14.1547 15.2867 15.2867 15.8244 15.8244 16.5895 16.5895 16.7909 16.7909 17.3112 17.3112 k = 0.0750 0.0433 0.0306 ( 2598 PWs) bands (ev): -28.4607 -28.4607 -9.5035 -9.5035 -8.0784 -8.0784 -8.0771 -8.0771 -0.9321 -0.9321 -0.9319 -0.9319 -0.0961 -0.0961 -0.0865 -0.0865 -0.0858 -0.0858 5.0356 5.0356 8.2201 8.2201 8.2328 8.2328 8.3246 8.3246 8.3519 8.3519 9.1263 9.1263 9.9186 9.9186 9.9322 9.9322 10.4984 10.4984 10.7772 10.7772 10.8007 10.8007 13.1290 13.1290 13.7878 13.7878 14.1631 14.1631 15.3510 15.3510 15.8270 15.8270 16.5374 16.5374 16.7228 16.7228 17.4122 17.4122 k = 0.0875 0.0505 0.0357 ( 2598 PWs) bands (ev): -28.4607 -28.4607 -9.5037 -9.5037 -8.0789 -8.0789 -8.0772 -8.0772 -0.9320 -0.9320 -0.9317 -0.9317 -0.0960 -0.0960 -0.0863 -0.0863 -0.0855 -0.0855 5.0594 5.0594 8.2131 8.2131 8.2268 8.2268 8.3322 8.3322 8.3655 8.3655 9.1243 9.1243 9.9171 9.9171 9.9350 9.9350 10.4965 10.4965 10.7566 10.7566 10.7883 10.7883 13.0154 13.0154 13.7605 13.7605 14.1725 14.1725 15.3726 15.3726 15.8778 15.8778 16.4853 16.4853 16.6571 16.6571 17.5179 17.5179 k = 0.1000 0.0577 0.0408 ( 2586 PWs) bands (ev): -28.4607 -28.4607 -9.5039 -9.5039 -8.0795 -8.0795 -8.0772 -8.0772 -0.9318 -0.9318 -0.9315 -0.9315 -0.0959 -0.0959 -0.0861 -0.0861 -0.0850 -0.0850 5.0867 5.0867 8.2068 8.2068 8.2212 8.2212 8.3397 8.3397 8.3794 8.3794 9.1224 9.1224 9.9153 9.9153 9.9380 9.9380 10.4942 10.4942 10.7332 10.7332 10.7743 10.7743 12.8858 12.8858 13.7473 13.7473 14.1828 14.1828 15.3568 15.3568 15.9709 15.9709 16.4361 16.4361 16.5946 16.5946 17.6252 17.6252 k = 0.1125 0.0650 0.0459 ( 2586 PWs) bands (ev): -28.4606 -28.4606 -9.5040 -9.5040 -8.0802 -8.0802 -8.0773 -8.0773 -0.9317 -0.9317 -0.9313 -0.9313 -0.0958 -0.0958 -0.0859 -0.0859 -0.0846 -0.0846 5.1175 5.1175 8.2011 8.2011 8.2160 8.2160 8.3471 8.3471 8.3935 8.3935 9.1205 9.1205 9.9134 9.9134 9.9411 9.9411 10.4914 10.4914 10.7072 10.7072 10.7588 10.7588 12.7457 12.7457 13.7442 13.7442 14.1935 14.1935 15.3204 15.3204 16.0865 16.0865 16.3940 16.3940 16.5359 16.5359 17.7329 17.7329 k = 0.1250 0.0722 0.0510 ( 2574 PWs) bands (ev): -28.4606 -28.4606 -9.5042 -9.5042 -8.0808 -8.0808 -8.0773 -8.0773 -0.9316 -0.9316 -0.9310 -0.9310 -0.0957 -0.0957 -0.0857 -0.0857 -0.0840 -0.0840 5.1518 5.1518 8.1962 8.1962 8.2114 8.2114 8.3545 8.3545 8.4077 8.4077 9.1190 9.1190 9.9112 9.9112 9.9442 9.9442 10.4880 10.4880 10.6787 10.6787 10.7418 10.7418 12.5989 12.5989 13.7478 13.7478 14.2045 14.2045 15.2753 15.2753 16.1976 16.1976 16.3751 16.3751 16.4813 16.4813 17.8402 17.8402 k = 0.1375 0.0794 0.0561 ( 2574 PWs) bands (ev): -28.4605 -28.4605 -9.5044 -9.5044 -8.0816 -8.0816 -8.0774 -8.0774 -0.9314 -0.9314 -0.9308 -0.9308 -0.0956 -0.0956 -0.0855 -0.0855 -0.0835 -0.0835 5.1894 5.1894 8.1920 8.1920 8.2073 8.2073 8.3617 8.3617 8.4221 8.4221 9.1177 9.1177 9.9088 9.9088 9.9471 9.9471 10.4841 10.4841 10.6478 10.6478 10.7236 10.7236 12.4484 12.4484 13.7560 13.7560 14.2153 14.2153 15.2271 15.2271 16.2392 16.2392 16.4313 16.4313 16.4392 16.4392 17.9465 17.9465 k = 0.1500 0.0866 0.0612 ( 2568 PWs) bands (ev): -28.4605 -28.4605 -9.5047 -9.5047 -8.0824 -8.0824 -8.0775 -8.0775 -0.9312 -0.9312 -0.9305 -0.9305 -0.0955 -0.0955 -0.0852 -0.0852 -0.0829 -0.0829 5.2303 5.2303 8.1885 8.1885 8.2037 8.2037 8.3689 8.3689 8.4366 8.4366 9.1167 9.1167 9.9062 9.9062 9.9499 9.9499 10.4794 10.4794 10.6148 10.6148 10.7041 10.7041 12.2962 12.2962 13.7673 13.7673 14.2257 14.2257 15.1788 15.1788 16.2209 16.2209 16.3863 16.3863 16.5745 16.5745 18.0516 18.0516 k = 0.1625 0.0938 0.0663 ( 2571 PWs) bands (ev): -28.4604 -28.4604 -9.5049 -9.5049 -8.0833 -8.0833 -8.0776 -8.0776 -0.9311 -0.9311 -0.9302 -0.9302 -0.0954 -0.0954 -0.0850 -0.0850 -0.0823 -0.0823 5.2743 5.2743 8.1858 8.1858 8.2007 8.2007 8.3762 8.3762 8.4510 8.4510 9.1161 9.1161 9.9034 9.9034 9.9524 9.9524 10.4737 10.4737 10.5799 10.5799 10.6837 10.6837 12.1438 12.1438 13.7805 13.7805 14.2353 14.2353 15.1315 15.1315 16.1927 16.1927 16.3466 16.3466 16.7297 16.7297 18.1547 18.1547 k = 0.1750 0.1010 0.0714 ( 2571 PWs) bands (ev): -28.4604 -28.4604 -9.5052 -9.5052 -8.0841 -8.0841 -8.0776 -8.0776 -0.9309 -0.9309 -0.9299 -0.9299 -0.0952 -0.0952 -0.0847 -0.0847 -0.0816 -0.0816 5.3215 5.3215 8.1837 8.1837 8.1984 8.1984 8.3834 8.3834 8.4655 8.4655 9.1159 9.1159 9.9004 9.9004 9.9546 9.9546 10.4668 10.4668 10.5434 10.5434 10.6623 10.6623 11.9923 11.9923 13.7949 13.7949 14.2438 14.2438 15.0860 15.0860 16.1657 16.1657 16.3126 16.3126 16.8933 16.8933 18.2541 18.2541 k = 0.1875 0.1083 0.0765 ( 2577 PWs) bands (ev): -28.4604 -28.4604 -9.5055 -9.5055 -8.0851 -8.0851 -8.0777 -8.0777 -0.9307 -0.9307 -0.9295 -0.9295 -0.0951 -0.0951 -0.0844 -0.0844 -0.0809 -0.0809 5.3717 5.3717 8.1823 8.1823 8.1967 8.1967 8.3907 8.3907 8.4800 8.4800 9.1160 9.1160 9.8973 9.8973 9.9564 9.9564 10.4574 10.4574 10.5063 10.5063 10.6401 10.6401 11.8430 11.8430 13.8097 13.8097 14.2508 14.2508 15.0426 15.0426 16.1423 16.1423 16.2846 16.2846 17.0622 17.0622 18.3461 18.3461 k = 0.2000 0.1155 0.0816 ( 2577 PWs) bands (ev): -28.4603 -28.4603 -9.5057 -9.5057 -8.0860 -8.0860 -8.0778 -8.0778 -0.9305 -0.9305 -0.9292 -0.9292 -0.0949 -0.0949 -0.0841 -0.0841 -0.0802 -0.0802 5.4248 5.4248 8.1816 8.1816 8.1956 8.1956 8.3981 8.3981 8.4944 8.4944 9.1164 9.1164 9.8939 9.8939 9.9577 9.9577 10.4408 10.4408 10.4735 10.4735 10.6173 10.6173 11.6967 11.6967 13.8246 13.8246 14.2561 14.2561 15.0014 15.0014 16.1237 16.1237 16.2630 16.2630 17.2350 17.2350 18.4190 18.4190 k = 0.2125 0.1227 0.0868 ( 2565 PWs) bands (ev): -28.4602 -28.4602 -9.5060 -9.5060 -8.0870 -8.0870 -8.0779 -8.0779 -0.9303 -0.9303 -0.9289 -0.9289 -0.0948 -0.0948 -0.0838 -0.0838 -0.0795 -0.0795 5.4806 5.4806 8.1815 8.1815 8.1951 8.1951 8.4057 8.4057 8.5086 8.5086 9.1170 9.1170 9.8905 9.8905 9.9586 9.9586 10.4080 10.4080 10.4536 10.4536 10.5941 10.5941 11.5545 11.5545 13.8390 13.8390 14.2595 14.2595 14.9625 14.9625 16.1102 16.1102 16.2479 16.2479 17.4101 17.4101 18.4342 18.4342 k = 0.2250 0.1299 0.0919 ( 2565 PWs) bands (ev): -28.4602 -28.4602 -9.5063 -9.5063 -8.0880 -8.0880 -8.0780 -8.0780 -0.9300 -0.9300 -0.9285 -0.9285 -0.0946 -0.0946 -0.0835 -0.0835 -0.0787 -0.0787 5.5391 5.5391 8.1820 8.1820 8.1953 8.1953 8.4134 8.4134 8.5227 8.5227 9.1178 9.1178 9.8869 9.8869 9.9589 9.9589 10.3651 10.3651 10.4401 10.4401 10.5704 10.5704 11.4173 11.4173 13.8526 13.8526 14.2607 14.2607 14.9257 14.9257 16.1022 16.1022 16.2394 16.2394 17.5844 17.5844 18.3541 18.3541 k = 0.2375 0.1371 0.0970 ( 2569 PWs) bands (ev): -28.4601 -28.4601 -9.5066 -9.5066 -8.0890 -8.0890 -8.0781 -8.0781 -0.9298 -0.9298 -0.9282 -0.9282 -0.0944 -0.0944 -0.0831 -0.0831 -0.0780 -0.0780 5.6001 5.6001 8.1831 8.1831 8.1960 8.1960 8.4214 8.4214 8.5366 8.5366 9.1185 9.1185 9.8831 9.8831 9.9586 9.9586 10.3180 10.3180 10.4268 10.4268 10.5466 10.5466 11.2865 11.2865 13.8653 13.8653 14.2596 14.2596 14.8911 14.8911 16.0999 16.0999 16.2376 16.2376 17.7487 17.7487 18.2341 18.2341 k = 0.2500 0.1443 0.1021 ( 2563 PWs) bands (ev): -28.4601 -28.4601 -9.5069 -9.5069 -8.0900 -8.0900 -8.0782 -8.0782 -0.9296 -0.9296 -0.9278 -0.9278 -0.0942 -0.0942 -0.0828 -0.0828 -0.0772 -0.0772 5.6634 5.6634 8.1847 8.1847 8.1972 8.1972 8.4296 8.4296 8.5503 8.5503 9.1190 9.1190 9.8793 9.8793 9.9575 9.9575 10.2675 10.2675 10.4123 10.4123 10.5227 10.5227 11.1633 11.1633 13.8767 13.8767 14.2564 14.2564 14.8586 14.8586 16.1033 16.1033 16.2425 16.2425 17.8577 17.8577 18.1570 18.1570 k = 0.2625 0.1516 0.1072 ( 2557 PWs) bands (ev): -28.4600 -28.4600 -9.5072 -9.5072 -8.0910 -8.0910 -8.0783 -8.0783 -0.9294 -0.9294 -0.9275 -0.9275 -0.0941 -0.0941 -0.0825 -0.0825 -0.0764 -0.0764 5.7289 5.7289 8.1869 8.1869 8.1989 8.1989 8.4381 8.4381 8.5637 8.5637 9.1191 9.1191 9.8754 9.8754 9.9557 9.9557 10.2136 10.2136 10.3959 10.3959 10.4988 10.4988 11.0492 11.0492 13.8867 13.8867 14.2509 14.2509 14.8280 14.8280 16.1126 16.1126 16.2540 16.2540 17.8118 17.8118 18.2313 18.2313 k = 0.2750 0.1588 0.1123 ( 2557 PWs) bands (ev): -28.4600 -28.4600 -9.5075 -9.5075 -8.0920 -8.0920 -8.0784 -8.0784 -0.9291 -0.9291 -0.9271 -0.9271 -0.0939 -0.0939 -0.0821 -0.0821 -0.0757 -0.0757 5.7963 5.7963 8.1894 8.1894 8.2009 8.2009 8.4469 8.4469 8.5768 8.5768 9.1186 9.1186 9.8714 9.8714 9.9529 9.9529 10.1560 10.1560 10.3774 10.3774 10.4751 10.4751 10.9456 10.9456 13.8953 13.8953 14.2434 14.2434 14.7995 14.7995 16.1277 16.1277 16.2718 16.2718 17.6858 17.6858 18.3807 18.3807 k = 0.2875 0.1660 0.1174 ( 2557 PWs) bands (ev): -28.4599 -28.4599 -9.5078 -9.5078 -8.0930 -8.0930 -8.0785 -8.0785 -0.9289 -0.9289 -0.9268 -0.9268 -0.0937 -0.0937 -0.0818 -0.0818 -0.0750 -0.0750 5.8655 5.8655 8.1923 8.1923 8.2031 8.2031 8.4558 8.4558 8.5895 8.5895 9.1171 9.1171 9.8673 9.8673 9.9488 9.9488 10.0946 10.0946 10.3565 10.3565 10.4518 10.4518 10.8539 10.8539 13.9024 13.9024 14.2341 14.2341 14.7728 14.7728 16.1485 16.1485 16.2956 16.2956 17.5462 17.5462 18.5274 18.5274 k = 0.3000 0.1732 0.1225 ( 2551 PWs) bands (ev): -28.4598 -28.4598 -9.5080 -9.5080 -8.0940 -8.0940 -8.0786 -8.0786 -0.9287 -0.9287 -0.9264 -0.9264 -0.0935 -0.0935 -0.0815 -0.0815 -0.0742 -0.0742 5.9363 5.9363 8.1956 8.1956 8.2053 8.2053 8.4650 8.4650 8.6019 8.6019 9.1144 9.1144 9.8632 9.8632 9.9429 9.9429 10.0300 10.0300 10.3334 10.3334 10.4289 10.4289 10.7750 10.7750 13.9081 13.9081 14.2232 14.2232 14.7479 14.7479 16.1749 16.1749 16.3251 16.3251 17.4066 17.4066 18.6326 18.6326 k = 0.3125 0.1804 0.1276 ( 2557 PWs) bands (ev): -28.4598 -28.4598 -9.5083 -9.5083 -8.0949 -8.0949 -8.0786 -8.0786 -0.9284 -0.9284 -0.9261 -0.9261 -0.0933 -0.0933 -0.0812 -0.0812 -0.0735 -0.0735 6.0083 6.0083 8.1991 8.1991 8.2073 8.2073 8.4742 8.4742 8.6139 8.6139 9.1100 9.1100 9.8591 9.8591 9.9302 9.9302 9.9675 9.9675 10.3086 10.3086 10.4066 10.4066 10.7087 10.7087 13.9124 13.9124 14.2110 14.2110 14.7248 14.7248 16.2066 16.2066 16.3599 16.3599 17.2706 17.2706 18.6681 18.6681 k = 0.3250 0.1876 0.1327 ( 2551 PWs) bands (ev): -28.4597 -28.4597 -9.5086 -9.5086 -8.0958 -8.0958 -8.0787 -8.0787 -0.9282 -0.9282 -0.9258 -0.9258 -0.0931 -0.0931 -0.0809 -0.0809 -0.0729 -0.0729 6.0813 6.0813 8.2028 8.2028 8.2090 8.2090 8.4835 8.4835 8.6254 8.6254 9.1037 9.1037 9.8550 9.8550 9.8800 9.8800 9.9390 9.9390 10.2831 10.2831 10.3851 10.3851 10.6542 10.6542 13.9153 13.9153 14.1979 14.1979 14.7034 14.7034 16.2434 16.2434 16.3994 16.3994 17.1401 17.1401 18.6438 18.6438 k = 0.3375 0.1949 0.1378 ( 2545 PWs) bands (ev): -28.4597 -28.4597 -9.5088 -9.5088 -8.0967 -8.0967 -8.0788 -8.0788 -0.9280 -0.9280 -0.9255 -0.9255 -0.0929 -0.0929 -0.0805 -0.0805 -0.0722 -0.0722 6.1550 6.1550 8.2067 8.2067 8.2100 8.2100 8.4925 8.4925 8.6364 8.6364 9.0949 9.0949 9.8102 9.8102 9.8509 9.8509 9.9282 9.9282 10.2579 10.2579 10.3644 10.3644 10.6098 10.6098 13.9172 13.9172 14.1841 14.1841 14.6836 14.6836 16.2851 16.2851 16.4431 16.4431 17.0161 17.0161 18.5858 18.5858 k = 0.3500 0.2021 0.1429 ( 2551 PWs) bands (ev): -28.4596 -28.4596 -9.5091 -9.5091 -8.0975 -8.0975 -8.0789 -8.0789 -0.9278 -0.9278 -0.9252 -0.9252 -0.0927 -0.0927 -0.0803 -0.0803 -0.0716 -0.0716 6.2289 6.2289 8.2099 8.2099 8.2106 8.2106 8.5011 8.5011 8.6469 8.6469 9.0834 9.0834 9.7397 9.7397 9.8469 9.8469 9.9182 9.9182 10.2343 10.2343 10.3447 10.3447 10.5736 10.5736 13.9180 13.9180 14.1700 14.1700 14.6655 14.6655 16.3311 16.3311 16.4904 16.4904 16.8993 16.8993 18.5103 18.5103 k = 0.3625 0.2093 0.1480 ( 2551 PWs) bands (ev): -28.4596 -28.4596 -9.5093 -9.5093 -8.0983 -8.0983 -8.0790 -8.0790 -0.9276 -0.9276 -0.9249 -0.9249 -0.0925 -0.0925 -0.0800 -0.0800 -0.0710 -0.0710 6.3027 6.3027 8.2085 8.2085 8.2144 8.2144 8.5090 8.5090 8.6568 8.6568 9.0692 9.0692 9.6719 9.6719 9.8430 9.8430 9.9079 9.9079 10.2129 10.2129 10.3260 10.3260 10.5437 10.5437 13.9181 13.9181 14.1559 14.1559 14.6489 14.6489 16.3810 16.3810 16.5407 16.5407 16.7903 16.7903 18.4256 18.4256 k = 0.3750 0.2165 0.1531 ( 2545 PWs) bands (ev): -28.4595 -28.4595 -9.5095 -9.5095 -8.0990 -8.0990 -8.0790 -8.0790 -0.9274 -0.9274 -0.9247 -0.9247 -0.0924 -0.0924 -0.0797 -0.0797 -0.0704 -0.0704 6.3758 6.3758 8.2052 8.2052 8.2183 8.2183 8.5159 8.5159 8.6660 8.6660 9.0525 9.0525 9.6090 9.6090 9.8393 9.8393 9.8972 9.8972 10.1942 10.1942 10.3086 10.3086 10.5186 10.5186 13.9174 13.9174 14.1420 14.1420 14.6339 14.6339 16.4337 16.4337 16.5932 16.5932 16.6902 16.6902 18.3361 18.3361 k = 0.3875 0.2237 0.1582 ( 2548 PWs) bands (ev): -28.4595 -28.4595 -9.5097 -9.5097 -8.0997 -8.0997 -8.0791 -8.0791 -0.9272 -0.9272 -0.9244 -0.9244 -0.0922 -0.0922 -0.0795 -0.0795 -0.0699 -0.0699 6.4477 6.4477 8.1998 8.1998 8.2220 8.2220 8.5212 8.5212 8.6746 8.6746 9.0339 9.0339 9.5520 9.5520 9.8357 9.8357 9.8865 9.8865 10.1783 10.1783 10.2925 10.2925 10.4974 10.4974 13.9163 13.9163 14.1287 14.1287 14.6204 14.6204 16.4859 16.4859 16.6024 16.6024 16.6473 16.6473 18.2444 18.2444 k = 0.4000 0.2309 0.1633 ( 2542 PWs) bands (ev): -28.4595 -28.4595 -9.5099 -9.5099 -8.1003 -8.1003 -8.0791 -8.0791 -0.9271 -0.9271 -0.9242 -0.9242 -0.0921 -0.0921 -0.0793 -0.0793 -0.0695 -0.0695 6.5175 6.5175 8.1918 8.1918 8.2254 8.2254 8.5248 8.5248 8.6824 8.6824 9.0147 9.0147 9.5016 9.5016 9.8324 9.8324 9.8763 9.8763 10.1652 10.1652 10.2778 10.2778 10.4791 10.4791 13.9148 13.9148 14.1161 14.1161 14.6083 14.6083 16.4926 16.4926 16.5716 16.5716 16.7019 16.7019 18.1523 18.1523 k = 0.4125 0.2382 0.1684 ( 2548 PWs) bands (ev): -28.4595 -28.4595 -9.5101 -9.5101 -8.1008 -8.1008 -8.0792 -8.0792 -0.9269 -0.9269 -0.9240 -0.9240 -0.0919 -0.0919 -0.0791 -0.0791 -0.0691 -0.0691 6.5843 6.5843 8.1811 8.1811 8.2287 8.2287 8.5265 8.5265 8.6895 8.6895 8.9963 8.9963 9.4580 9.4580 9.8293 9.8293 9.8668 9.8668 10.1544 10.1544 10.2647 10.2647 10.4633 10.4633 13.9131 13.9131 14.1046 14.1046 14.5978 14.5978 16.4281 16.4281 16.6230 16.6230 16.7560 16.7560 18.0612 18.0612 k = 0.4250 0.2454 0.1735 ( 2554 PWs) bands (ev): -28.4594 -28.4594 -9.5102 -9.5102 -8.1013 -8.1013 -8.0792 -8.0792 -0.9268 -0.9268 -0.9239 -0.9239 -0.0918 -0.0918 -0.0789 -0.0789 -0.0687 -0.0687 6.6471 6.6471 8.1677 8.1677 8.2316 8.2316 8.5262 8.5262 8.6957 8.6957 8.9803 8.9803 9.4207 9.4207 9.8265 9.8265 9.8584 9.8584 10.1458 10.1458 10.2531 10.2531 10.4498 10.4498 13.9113 13.9113 14.0942 14.0942 14.5887 14.5887 16.3644 16.3644 16.6840 16.6840 16.8084 16.8084 17.9725 17.9725 k = 0.4375 0.2526 0.1786 ( 2545 PWs) bands (ev): -28.4594 -28.4594 -9.5103 -9.5103 -8.1017 -8.1017 -8.0793 -8.0793 -0.9267 -0.9267 -0.9237 -0.9237 -0.0917 -0.0917 -0.0787 -0.0787 -0.0684 -0.0684 6.7045 6.7045 8.1523 8.1523 8.2342 8.2342 8.5244 8.5244 8.7011 8.7011 8.9676 8.9676 9.3893 9.3893 9.8240 9.8240 9.8513 9.8513 10.1391 10.1391 10.2432 10.2432 10.4384 10.4384 13.9096 13.9096 14.0851 14.0851 14.5810 14.5810 16.3092 16.3092 16.7460 16.7460 16.8576 16.8576 17.8878 17.8878 k = 0.4500 0.2598 0.1837 ( 2545 PWs) bands (ev): -28.4594 -28.4594 -9.5104 -9.5104 -8.1021 -8.1021 -8.0793 -8.0793 -0.9266 -0.9266 -0.9236 -0.9236 -0.0916 -0.0916 -0.0786 -0.0786 -0.0681 -0.0681 6.7551 6.7551 8.1359 8.1359 8.2363 8.2363 8.5217 8.5217 8.7055 8.7055 8.9585 8.9585 9.3636 9.3636 9.8219 9.8219 9.8456 9.8456 10.1339 10.1339 10.2350 10.2350 10.4291 10.4291 13.9081 13.9081 14.0775 14.0775 14.5747 14.5747 16.2634 16.2634 16.8061 16.8061 16.9018 16.9018 17.8092 17.8092 k = 0.4625 0.2670 0.1888 ( 2530 PWs) bands (ev): -28.4593 -28.4593 -9.5105 -9.5105 -8.1023 -8.1023 -8.0793 -8.0793 -0.9265 -0.9265 -0.9235 -0.9235 -0.0915 -0.0915 -0.0785 -0.0785 -0.0679 -0.0679 6.7971 6.7971 8.1201 8.1201 8.2380 8.2380 8.5187 8.5187 8.7090 8.7090 8.9527 8.9527 9.3433 9.3433 9.8203 9.8203 9.8412 9.8412 10.1301 10.1301 10.2286 10.2286 10.4217 10.4217 13.9068 13.9068 14.0715 14.0715 14.5699 14.5699 16.2275 16.2275 16.8613 16.8613 16.9393 16.9393 17.7396 17.7396 k = 0.4750 0.2742 0.1939 ( 2533 PWs) bands (ev): -28.4593 -28.4593 -9.5105 -9.5105 -8.1025 -8.1025 -8.0794 -8.0794 -0.9264 -0.9264 -0.9234 -0.9234 -0.0915 -0.0915 -0.0784 -0.0784 -0.0678 -0.0678 6.8287 6.8287 8.1068 8.1068 8.2393 8.2393 8.5162 8.5162 8.7115 8.7115 8.9495 8.9495 9.3286 9.3286 9.8191 9.8191 9.8382 9.8382 10.1274 10.1274 10.2239 10.2239 10.4165 10.4165 13.9058 13.9058 14.0672 14.0672 14.5664 14.5664 16.2017 16.2017 16.9074 16.9074 16.9679 16.9679 17.6833 17.6833 k = 0.4875 0.2815 0.1990 ( 2533 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1026 -8.1026 -8.0794 -8.0794 -0.9264 -0.9264 -0.9234 -0.9234 -0.0915 -0.0915 -0.0784 -0.0784 -0.0677 -0.0677 6.8485 6.8485 8.0979 8.0979 8.2400 8.2400 8.5145 8.5145 8.7130 8.7130 8.9480 8.9480 9.3196 9.3196 9.8184 9.8184 9.8364 9.8364 10.1259 10.1259 10.2212 10.2212 10.4133 10.4133 13.9053 13.9053 14.0645 14.0645 14.5643 14.5643 16.1862 16.1862 16.9388 16.9388 16.9860 16.9860 17.6457 17.6457 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1027 -8.1027 -8.0794 -8.0794 -0.9264 -0.9264 -0.9234 -0.9234 -0.0914 -0.0914 -0.0784 -0.0784 -0.0677 -0.0677 6.8552 6.8552 8.0948 8.0948 8.2403 8.2403 8.5139 8.5139 8.7136 8.7136 8.9476 8.9476 9.3166 9.3166 9.8181 9.8181 9.8358 9.8358 10.1254 10.1254 10.2202 10.2202 10.4122 10.4122 13.9050 13.9050 14.0636 14.0636 14.5636 14.5636 16.1810 16.1810 16.9501 16.9501 16.9921 16.9921 17.6323 17.6323 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1027 -8.1027 -8.0794 -8.0794 -0.9264 -0.9264 -0.9234 -0.9234 -0.0914 -0.0914 -0.0784 -0.0784 -0.0677 -0.0677 6.8552 6.8552 8.0948 8.0948 8.2403 8.2403 8.5139 8.5139 8.7136 8.7136 8.9476 8.9476 9.3166 9.3166 9.8181 9.8181 9.8358 9.8358 10.1254 10.1254 10.2202 10.2202 10.4122 10.4122 13.9050 13.9050 14.0636 14.0636 14.5636 14.5636 16.1810 16.1810 16.9501 16.9501 16.9921 16.9921 17.6323 17.6323 k = 0.5045 0.2758 0.2114 ( 2531 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1026 -8.1026 -8.0794 -8.0794 -0.9264 -0.9264 -0.9234 -0.9234 -0.0914 -0.0914 -0.0784 -0.0784 -0.0677 -0.0677 6.8554 6.8554 8.0956 8.0956 8.2407 8.2407 8.5133 8.5133 8.7140 8.7140 8.9478 8.9478 9.3168 9.3168 9.8180 9.8180 9.8359 9.8359 10.1263 10.1263 10.2205 10.2205 10.4128 10.4128 13.8905 13.8905 14.0448 14.0448 14.5975 14.5975 16.1748 16.1748 16.9485 16.9485 16.9895 16.9895 17.6356 17.6356 k = 0.5089 0.2629 0.2187 ( 2528 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1026 -8.1026 -8.0795 -8.0795 -0.9264 -0.9264 -0.9234 -0.9234 -0.0915 -0.0915 -0.0784 -0.0784 -0.0678 -0.0678 6.8559 6.8559 8.0980 8.0980 8.2419 8.2419 8.5116 8.5116 8.7152 8.7152 8.9485 8.9485 9.3174 9.3174 9.8174 9.8174 9.8363 9.8363 10.1290 10.1290 10.2216 10.2216 10.4144 10.4144 13.8397 13.8397 14.0122 14.0122 14.6823 14.6823 16.1564 16.1564 16.9433 16.9433 16.9827 16.9827 17.6446 17.6446 k = 0.5134 0.2500 0.2260 ( 2526 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1025 -8.1025 -8.0796 -8.0796 -0.9265 -0.9265 -0.9235 -0.9235 -0.0915 -0.0915 -0.0784 -0.0784 -0.0679 -0.0679 6.8568 6.8568 8.1020 8.1020 8.2439 8.2439 8.5088 8.5088 8.7171 8.7171 8.9496 8.9496 9.3185 9.3185 9.8159 9.8159 9.8376 9.8376 10.1333 10.1333 10.2233 10.2233 10.4172 10.4172 13.7530 13.7530 13.9901 13.9901 14.7925 14.7925 16.1261 16.1261 16.9339 16.9339 16.9746 16.9746 17.6580 17.6580 k = 0.5179 0.2371 0.2333 ( 2531 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1025 -8.1025 -8.0797 -8.0797 -0.9265 -0.9265 -0.9235 -0.9235 -0.0915 -0.0915 -0.0784 -0.0784 -0.0680 -0.0680 6.8581 6.8581 8.1073 8.1073 8.2466 8.2466 8.5052 8.5052 8.7197 8.7197 8.9514 8.9514 9.3198 9.3198 9.8133 9.8133 9.8404 9.8404 10.1388 10.1388 10.2260 10.2260 10.4211 10.4211 13.6465 13.6465 13.9761 13.9761 14.9136 14.9136 16.0850 16.0850 16.9193 16.9193 16.9691 16.9691 17.6736 17.6736 k = 0.5223 0.2242 0.2406 ( 2535 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1023 -8.1023 -8.0800 -8.0800 -0.9266 -0.9266 -0.9236 -0.9236 -0.0915 -0.0915 -0.0784 -0.0784 -0.0682 -0.0682 6.8597 6.8597 8.1136 8.1136 8.2499 8.2499 8.5010 8.5010 8.7227 8.7227 8.9540 8.9540 9.3214 9.3214 9.8095 9.8095 9.8448 9.8448 10.1452 10.1452 10.2297 10.2297 10.4263 10.4263 13.5318 13.5318 13.9646 13.9646 15.0372 15.0372 16.0352 16.0352 16.8999 16.8999 16.9686 16.9686 17.6895 17.6895 k = 0.5268 0.2114 0.2479 ( 2540 PWs) bands (ev): -28.4593 -28.4593 -9.5107 -9.5107 -8.1022 -8.1022 -8.0802 -8.0802 -0.9267 -0.9267 -0.9237 -0.9237 -0.0915 -0.0915 -0.0785 -0.0785 -0.0685 -0.0685 6.8619 6.8619 8.1207 8.1207 8.2538 8.2538 8.4964 8.4964 8.7261 8.7261 8.9577 8.9577 9.3232 9.3232 9.8049 9.8049 9.8508 9.8508 10.1520 10.1520 10.2347 10.2347 10.4327 10.4327 13.4140 13.4140 13.9534 13.9534 15.1564 15.1564 15.9813 15.9813 16.8771 16.8771 16.9743 16.9743 17.7038 17.7038 k = 0.5312 0.1985 0.2552 ( 2537 PWs) bands (ev): -28.4593 -28.4593 -9.5107 -9.5107 -8.1021 -8.1021 -8.0805 -8.0805 -0.9268 -0.9268 -0.9238 -0.9238 -0.0915 -0.0915 -0.0785 -0.0785 -0.0687 -0.0687 6.8644 6.8644 8.1283 8.1283 8.2580 8.2580 8.4918 8.4918 8.7297 8.7297 8.9626 8.9626 9.3249 9.3249 9.7997 9.7997 9.8584 9.8584 10.1589 10.1589 10.2412 10.2412 10.4404 10.4404 13.2956 13.2956 13.9415 13.9415 15.2620 15.2620 15.9316 15.9316 16.8523 16.8523 16.9868 16.9868 17.7153 17.7153 k = 0.5357 0.1856 0.2624 ( 2543 PWs) bands (ev): -28.4593 -28.4593 -9.5107 -9.5107 -8.1019 -8.1019 -8.0808 -8.0808 -0.9269 -0.9269 -0.9240 -0.9240 -0.0916 -0.0916 -0.0785 -0.0785 -0.0690 -0.0690 6.8675 6.8675 8.1360 8.1360 8.2623 8.2623 8.4873 8.4873 8.7333 8.7333 8.9690 8.9690 9.3266 9.3266 9.7943 9.7943 9.8675 9.8675 10.1654 10.1654 10.2491 10.2491 10.4496 10.4496 13.1778 13.1778 13.9285 13.9285 15.3385 15.3385 15.9012 15.9012 16.8263 16.8263 17.0067 17.0067 17.7229 17.7229 k = 0.5402 0.1727 0.2697 ( 2541 PWs) bands (ev): -28.4593 -28.4593 -9.5108 -9.5108 -8.1017 -8.1017 -8.0812 -8.0812 -0.9270 -0.9270 -0.9241 -0.9241 -0.0916 -0.0916 -0.0786 -0.0786 -0.0693 -0.0693 6.8711 6.8711 8.1435 8.1435 8.2664 8.2664 8.4833 8.4833 8.7369 8.7369 8.9772 8.9772 9.3283 9.3283 9.7889 9.7889 9.8782 9.8782 10.1717 10.1717 10.2584 10.2584 10.4602 10.4602 13.0613 13.0613 13.9143 13.9143 15.3660 15.3660 15.9101 15.9101 16.8000 16.8000 17.0346 17.0346 17.7262 17.7262 k = 0.5446 0.1598 0.2770 ( 2543 PWs) bands (ev): -28.4592 -28.4592 -9.5108 -9.5108 -8.1015 -8.1015 -8.0816 -8.0816 -0.9271 -0.9271 -0.9243 -0.9243 -0.0917 -0.0917 -0.0786 -0.0786 -0.0696 -0.0696 6.8752 6.8752 8.1505 8.1505 8.2699 8.2699 8.4800 8.4800 8.7403 8.7403 8.9874 8.9874 9.3297 9.3297 9.7835 9.7835 9.8903 9.8903 10.1776 10.1776 10.2689 10.2689 10.4724 10.4724 12.9463 12.9463 13.8986 13.8986 15.3389 15.3389 15.9638 15.9638 16.7740 16.7740 17.0713 17.0713 17.7250 17.7250 k = 0.5491 0.1469 0.2843 ( 2547 PWs) bands (ev): -28.4592 -28.4592 -9.5108 -9.5108 -8.1013 -8.1013 -8.0820 -8.0820 -0.9272 -0.9272 -0.9244 -0.9244 -0.0917 -0.0917 -0.0787 -0.0787 -0.0700 -0.0700 6.8798 6.8798 8.1567 8.1567 8.2727 8.2727 8.4777 8.4777 8.7435 8.7435 8.9998 8.9998 9.3311 9.3311 9.7785 9.7785 9.9039 9.9039 10.1834 10.1834 10.2803 10.2803 10.4862 10.4862 12.8332 12.8332 13.8816 13.8816 15.2733 15.2733 16.0458 16.0458 16.7491 16.7491 17.1174 17.1174 17.7193 17.7193 k = 0.5536 0.1340 0.2916 ( 2548 PWs) bands (ev): -28.4592 -28.4592 -9.5109 -9.5109 -8.1010 -8.1010 -8.0824 -8.0824 -0.9274 -0.9274 -0.9246 -0.9246 -0.0918 -0.0918 -0.0787 -0.0787 -0.0703 -0.0703 6.8850 6.8850 8.1619 8.1619 8.2743 8.2743 8.4764 8.4764 8.7463 8.7463 9.0146 9.0146 9.3323 9.3323 9.7738 9.7738 9.9190 9.9190 10.1895 10.1895 10.2922 10.2922 10.5017 10.5017 12.7219 12.7219 13.8633 13.8633 15.1868 15.1868 16.1380 16.1380 16.7257 16.7257 17.1732 17.1732 17.7095 17.7095 k = 0.5580 0.1211 0.2989 ( 2549 PWs) bands (ev): -28.4592 -28.4592 -9.5109 -9.5109 -8.1008 -8.1008 -8.0829 -8.0829 -0.9275 -0.9275 -0.9248 -0.9248 -0.0919 -0.0919 -0.0788 -0.0788 -0.0706 -0.0706 6.8908 6.8908 8.1659 8.1659 8.2749 8.2749 8.4761 8.4761 8.7488 8.7488 9.0316 9.0316 9.3336 9.3336 9.7696 9.7696 9.9355 9.9355 10.1960 10.1960 10.3044 10.3044 10.5188 10.5188 12.6125 12.6125 13.8435 13.8435 15.0898 15.0898 16.2295 16.2295 16.7046 16.7046 17.2386 17.2386 17.6967 17.6967 k = 0.5625 0.1083 0.3062 ( 2555 PWs) bands (ev): -28.4592 -28.4592 -9.5110 -9.5110 -8.1005 -8.1005 -8.0833 -8.0833 -0.9277 -0.9277 -0.9250 -0.9250 -0.0920 -0.0920 -0.0789 -0.0789 -0.0710 -0.0710 6.8970 6.8970 8.1683 8.1683 8.2746 8.2746 8.4765 8.4765 8.7510 8.7510 9.0507 9.0507 9.3349 9.3349 9.7660 9.7660 9.9532 9.9532 10.2032 10.2032 10.3166 10.3166 10.5376 10.5376 12.5051 12.5051 13.8225 13.8225 14.9878 14.9878 16.3142 16.3142 16.6868 16.6868 17.3118 17.3118 17.6827 17.6827 k = 0.5670 0.0954 0.3135 ( 2554 PWs) bands (ev): -28.4592 -28.4592 -9.5110 -9.5110 -8.1003 -8.1003 -8.0838 -8.0838 -0.9278 -0.9278 -0.9252 -0.9252 -0.0921 -0.0921 -0.0790 -0.0790 -0.0713 -0.0713 6.9038 6.9038 8.1690 8.1690 8.2735 8.2735 8.4776 8.4776 8.7529 8.7529 9.0716 9.0716 9.3364 9.3364 9.7631 9.7631 9.9722 9.9722 10.2114 10.2114 10.3288 10.3288 10.5578 10.5578 12.3997 12.3997 13.8002 13.8002 14.8841 14.8841 16.3888 16.3888 16.6733 16.6733 17.3876 17.3876 17.6716 17.6716 k = 0.5714 0.0825 0.3208 ( 2552 PWs) bands (ev): -28.4591 -28.4591 -9.5110 -9.5110 -8.1001 -8.1001 -8.0842 -8.0842 -0.9280 -0.9280 -0.9254 -0.9254 -0.0922 -0.0922 -0.0791 -0.0791 -0.0715 -0.0715 6.9110 6.9110 8.1679 8.1679 8.2721 8.2721 8.4790 8.4790 8.7545 8.7545 9.0938 9.0938 9.3383 9.3383 9.7609 9.7609 9.9924 9.9924 10.2208 10.2208 10.3409 10.3409 10.5793 10.5793 12.2965 12.2965 13.7768 13.7768 14.7810 14.7810 16.4506 16.4506 16.6661 16.6661 17.4532 17.4532 17.6732 17.6732 k = 0.5759 0.0696 0.3281 ( 2554 PWs) bands (ev): -28.4591 -28.4591 -9.5111 -9.5111 -8.0998 -8.0998 -8.0847 -8.0847 -0.9282 -0.9282 -0.9256 -0.9256 -0.0924 -0.0924 -0.0792 -0.0792 -0.0718 -0.0718 6.9186 6.9186 8.1648 8.1648 8.2706 8.2706 8.4804 8.4804 8.7558 8.7558 9.1169 9.1169 9.3407 9.3407 9.7594 9.7594 10.0136 10.0136 10.2317 10.2317 10.3530 10.3530 10.6018 10.6018 12.1955 12.1955 13.7523 13.7523 14.6798 14.6798 16.4973 16.4973 16.6682 16.6682 17.4864 17.4864 17.6887 17.6887 k = 0.5804 0.0567 0.3353 ( 2551 PWs) bands (ev): -28.4591 -28.4591 -9.5111 -9.5111 -8.0996 -8.0996 -8.0851 -8.0851 -0.9283 -0.9283 -0.9258 -0.9258 -0.0925 -0.0925 -0.0794 -0.0794 -0.0720 -0.0720 6.9264 6.9264 8.1597 8.1597 8.2692 8.2692 8.4817 8.4817 8.7570 8.7570 9.1400 9.1400 9.3437 9.3437 9.7587 9.7587 10.0357 10.0357 10.2440 10.2440 10.3655 10.3655 10.6250 10.6250 12.0971 12.0971 13.7267 13.7267 14.5817 14.5817 16.5272 16.5272 16.6820 16.6820 17.4826 17.4826 17.6551 17.6551 k = 0.5848 0.0438 0.3426 ( 2555 PWs) bands (ev): -28.4591 -28.4591 -9.5112 -9.5112 -8.0994 -8.0994 -8.0855 -8.0855 -0.9285 -0.9285 -0.9260 -0.9260 -0.0927 -0.0927 -0.0795 -0.0795 -0.0722 -0.0722 6.9345 6.9345 8.1530 8.1530 8.2681 8.2681 8.4827 8.4827 8.7579 8.7579 9.1626 9.1626 9.3475 9.3475 9.7586 9.7586 10.0585 10.0585 10.2580 10.2580 10.3787 10.3787 10.6484 10.6484 12.0016 12.0016 13.7003 13.7003 14.4875 14.4875 16.5432 16.5432 16.7057 16.7057 17.4580 17.4580 17.6080 17.6080 k = 0.5893 0.0309 0.3499 ( 2555 PWs) bands (ev): -28.4591 -28.4591 -9.5112 -9.5112 -8.0993 -8.0993 -8.0858 -8.0858 -0.9287 -0.9287 -0.9261 -0.9261 -0.0929 -0.0929 -0.0797 -0.0797 -0.0723 -0.0723 6.9426 6.9426 8.1448 8.1448 8.2670 8.2670 8.4834 8.4834 8.7588 8.7588 9.1841 9.1841 9.3520 9.3520 9.7592 9.7592 10.0817 10.0817 10.2735 10.2735 10.3933 10.3933 10.6714 10.6714 11.9099 11.9099 13.6731 13.6731 14.3980 14.3980 16.5513 16.5513 16.7341 16.7341 17.4223 17.4223 17.5638 17.5638 k = 0.5938 0.0180 0.3572 ( 2557 PWs) bands (ev): -28.4591 -28.4591 -9.5113 -9.5113 -8.0991 -8.0991 -8.0861 -8.0861 -0.9289 -0.9289 -0.9263 -0.9263 -0.0931 -0.0931 -0.0799 -0.0799 -0.0724 -0.0724 6.9507 6.9507 8.1356 8.1356 8.2659 8.2659 8.4836 8.4836 8.7597 8.7597 9.2038 9.2038 9.3573 9.3573 9.7603 9.7603 10.1047 10.1047 10.2903 10.2903 10.4102 10.4102 10.6932 10.6932 11.8226 11.8226 13.6451 13.6451 14.3135 14.3135 16.5568 16.5568 16.7625 16.7625 17.3791 17.3791 17.5257 17.5257 k = 0.5982 0.0052 0.3645 ( 2559 PWs) bands (ev): -28.4590 -28.4590 -9.5113 -9.5113 -8.0990 -8.0990 -8.0864 -8.0864 -0.9291 -0.9291 -0.9264 -0.9264 -0.0933 -0.0933 -0.0801 -0.0801 -0.0725 -0.0725 6.9585 6.9585 8.1255 8.1255 8.2646 8.2646 8.4834 8.4834 8.7606 8.7606 9.2216 9.2216 9.3633 9.3633 9.7617 9.7617 10.1269 10.1269 10.3079 10.3079 10.4305 10.4305 10.7127 10.7127 11.7412 11.7412 13.6166 13.6166 14.2344 14.2344 16.5623 16.5623 16.7885 16.7885 17.3306 17.3306 17.4946 17.4946 k = 0.6027-0.0077 0.3718 ( 2557 PWs) bands (ev): -28.4590 -28.4590 -9.5113 -9.5113 -8.0990 -8.0990 -8.0866 -8.0866 -0.9293 -0.9293 -0.9265 -0.9265 -0.0935 -0.0935 -0.0802 -0.0802 -0.0725 -0.0725 6.9660 6.9660 8.1150 8.1150 8.2628 8.2628 8.4828 8.4828 8.7617 8.7617 9.2371 9.2371 9.3698 9.3698 9.7634 9.7634 10.1478 10.1478 10.3256 10.3256 10.4557 10.4557 10.7288 10.7288 11.6671 11.6671 13.5875 13.5875 14.1610 14.1610 16.5691 16.5691 16.8110 16.8110 17.2788 17.2788 17.4707 17.4707 k = 0.6071-0.0206 0.3791 ( 2559 PWs) bands (ev): -28.4590 -28.4590 -9.5113 -9.5113 -8.0989 -8.0989 -8.0868 -8.0868 -0.9295 -0.9295 -0.9266 -0.9266 -0.0938 -0.0938 -0.0804 -0.0804 -0.0726 -0.0726 6.9729 6.9729 8.1040 8.1040 8.2606 8.2606 8.4819 8.4819 8.7630 8.7630 9.2505 9.2505 9.3764 9.3764 9.7651 9.7651 10.1668 10.1668 10.3426 10.3426 10.4866 10.4866 10.7398 10.7398 11.6024 11.6024 13.5580 13.5580 14.0934 14.0934 16.5777 16.5777 16.8294 16.8294 17.2253 17.2253 17.4539 17.4539 k = 0.6116-0.0335 0.3864 ( 2558 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0989 -8.0989 -8.0869 -8.0869 -0.9297 -0.9297 -0.9267 -0.9267 -0.0940 -0.0940 -0.0806 -0.0806 -0.0726 -0.0726 6.9790 6.9790 8.0929 8.0929 8.2578 8.2578 8.4805 8.4805 8.7647 8.7647 9.2620 9.2620 9.3828 9.3828 9.7668 9.7668 10.1834 10.1834 10.3586 10.3586 10.5237 10.5237 10.7443 10.7443 11.5494 11.5494 13.5282 13.5282 14.0316 14.0316 16.5883 16.5883 16.8435 16.8435 17.1715 17.1715 17.4444 17.4444 k = 0.6161-0.0464 0.3937 ( 2560 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0990 -8.0990 -8.0869 -8.0869 -0.9300 -0.9300 -0.9267 -0.9267 -0.0943 -0.0943 -0.0807 -0.0807 -0.0726 -0.0726 6.9841 6.9841 8.0815 8.0815 8.2544 8.2544 8.4788 8.4788 8.7669 8.7669 9.2718 9.2718 9.3888 9.3888 9.7684 9.7684 10.1974 10.1974 10.3734 10.3734 10.5661 10.5661 10.7412 10.7412 11.5101 11.5101 13.4981 13.4981 13.9755 13.9755 16.6008 16.6008 16.8536 16.8536 17.1185 17.1185 17.4419 17.4419 k = 0.6205-0.0593 0.4010 ( 2562 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0869 -8.0869 -0.9302 -0.9302 -0.9268 -0.9268 -0.0946 -0.0946 -0.0808 -0.0808 -0.0726 -0.0726 6.9881 6.9881 8.0699 8.0699 8.2507 8.2507 8.4768 8.4768 8.7695 8.7695 9.2801 9.2801 9.3941 9.3941 9.7696 9.7696 10.2089 10.2089 10.3873 10.3873 10.6114 10.6114 10.7317 10.7317 11.4860 11.4860 13.4678 13.4678 13.9250 13.9250 16.6148 16.6148 16.8602 16.8602 17.0675 17.0675 17.4462 17.4462 k = 0.6250-0.0722 0.4082 ( 2574 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0868 -8.0868 -0.9305 -0.9305 -0.9268 -0.9268 -0.0948 -0.0948 -0.0809 -0.0809 -0.0726 -0.0726 6.9905 6.9905 8.0577 8.0577 8.2468 8.2468 8.4745 8.4745 8.7726 8.7726 9.2870 9.2870 9.3987 9.3987 9.7707 9.7707 10.2180 10.2180 10.4000 10.4000 10.6493 10.6493 10.7258 10.7258 11.4772 11.4772 13.4374 13.4374 13.8799 13.8799 16.6300 16.6300 16.8637 16.8637 17.0197 17.0197 17.4568 17.4568 k = 0.6250-0.0722 0.4082 ( 2574 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0868 -8.0868 -0.9305 -0.9305 -0.9268 -0.9268 -0.0948 -0.0948 -0.0809 -0.0809 -0.0726 -0.0726 6.9905 6.9905 8.0577 8.0577 8.2468 8.2468 8.4745 8.4745 8.7726 8.7726 9.2870 9.2870 9.3987 9.3987 9.7707 9.7707 10.2180 10.2180 10.4000 10.4000 10.6493 10.6493 10.7258 10.7258 11.4772 11.4772 13.4374 13.4374 13.8799 13.8799 16.6300 16.6300 16.8637 16.8637 17.0197 17.0197 17.4568 17.4568 k = 0.6176-0.0679 0.4203 ( 2564 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0868 -8.0868 -0.9305 -0.9305 -0.9268 -0.9268 -0.0948 -0.0948 -0.0809 -0.0809 -0.0726 -0.0726 6.9909 6.9909 8.0564 8.0564 8.2482 8.2482 8.4743 8.4743 8.7728 8.7728 9.2783 9.2783 9.4081 9.4081 9.7710 9.7710 10.2180 10.2180 10.3963 10.3963 10.6478 10.6478 10.7334 10.7334 11.4774 11.4774 13.3989 13.3989 13.9170 13.9170 16.6172 16.6172 16.8721 16.8721 17.0139 17.0139 17.4616 17.4616 k = 0.6103-0.0637 0.4323 ( 2564 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0869 -8.0869 -0.9304 -0.9304 -0.9268 -0.9268 -0.0948 -0.0948 -0.0809 -0.0809 -0.0726 -0.0726 6.9919 6.9919 8.0527 8.0527 8.2521 8.2521 8.4739 8.4739 8.7734 8.7734 9.2578 9.2578 9.4304 9.4304 9.7719 9.7719 10.2179 10.2179 10.3856 10.3856 10.6453 10.6453 10.7534 10.7534 11.4780 11.4780 13.3072 13.3072 14.0043 14.0043 16.5834 16.5834 16.8922 16.8922 16.9983 16.9983 17.4749 17.4749 k = 0.6029-0.0594 0.4443 ( 2560 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0990 -8.0990 -8.0869 -8.0869 -0.9304 -0.9304 -0.9268 -0.9268 -0.0948 -0.0948 -0.0808 -0.0808 -0.0727 -0.0727 6.9936 6.9936 8.0471 8.0471 8.2582 8.2582 8.4732 8.4732 8.7745 8.7745 9.2327 9.2327 9.4585 9.4585 9.7734 9.7734 10.2176 10.2176 10.3697 10.3697 10.6449 10.6449 10.7815 10.7815 11.4791 11.4791 13.1923 13.1923 14.1120 14.1120 16.5363 16.5363 16.9135 16.9135 16.9789 16.9789 17.4934 17.4934 k = 0.5956-0.0552 0.4563 ( 2556 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0989 -8.0989 -8.0871 -8.0871 -0.9303 -0.9303 -0.9269 -0.9269 -0.0948 -0.0948 -0.0807 -0.0807 -0.0728 -0.0728 6.9960 6.9960 8.0400 8.0400 8.2657 8.2657 8.4724 8.4724 8.7763 8.7763 9.2063 9.2063 9.4887 9.4887 9.7755 9.7755 10.2167 10.2167 10.3504 10.3504 10.6475 10.6475 10.8152 10.8152 11.4805 11.4805 13.0673 13.0673 14.2269 14.2269 16.4808 16.4808 16.9165 16.9165 16.9737 16.9737 17.5137 17.5137 k = 0.5882-0.0509 0.4683 ( 2557 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0988 -8.0988 -8.0872 -8.0872 -0.9303 -0.9303 -0.9269 -0.9269 -0.0948 -0.0948 -0.0806 -0.0806 -0.0729 -0.0729 6.9988 6.9988 8.0320 8.0320 8.2741 8.2741 8.4714 8.4714 8.7787 8.7787 9.1799 9.1799 9.5195 9.5195 9.7781 9.7781 10.2146 10.2146 10.3299 10.3299 10.6534 10.6534 10.8528 10.8528 11.4824 11.4824 12.9375 12.9375 14.3439 14.3439 16.4197 16.4197 16.8934 16.8934 16.9908 16.9908 17.5330 17.5330 k = 0.5809-0.0467 0.4803 ( 2553 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0987 -8.0987 -8.0874 -8.0874 -0.9302 -0.9302 -0.9270 -0.9270 -0.0948 -0.0948 -0.0804 -0.0804 -0.0730 -0.0730 7.0022 7.0022 8.0235 8.0235 8.2828 8.2828 8.4705 8.4705 8.7820 8.7820 9.1540 9.1540 9.5500 9.5500 9.7813 9.7813 10.2104 10.2104 10.3104 10.3104 10.6623 10.6623 10.8935 10.8935 11.4847 11.4847 12.8057 12.8057 14.4605 14.4605 16.3545 16.3545 16.8628 16.8628 17.0124 17.0124 17.5495 17.5495 k = 0.5735-0.0425 0.4923 ( 2553 PWs) bands (ev): -28.4589 -28.4589 -9.5114 -9.5114 -8.0986 -8.0986 -8.0876 -8.0876 -0.9301 -0.9301 -0.9271 -0.9271 -0.0947 -0.0947 -0.0803 -0.0803 -0.0732 -0.0732 7.0060 7.0060 8.0150 8.0150 8.2912 8.2912 8.4697 8.4697 8.7864 8.7864 9.1288 9.1288 9.5795 9.5795 9.7850 9.7850 10.2027 10.2027 10.2940 10.2940 10.6740 10.6740 10.9368 10.9368 11.4875 11.4875 12.6731 12.6731 14.5754 14.5754 16.2862 16.2862 16.8317 16.8317 17.0327 17.0327 17.5623 17.5623 k = 0.5662-0.0382 0.5043 ( 2551 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0984 -8.0984 -8.0878 -8.0878 -0.9300 -0.9300 -0.9271 -0.9271 -0.0947 -0.0947 -0.0801 -0.0801 -0.0733 -0.0733 7.0101 7.0101 8.0067 8.0067 8.2990 8.2990 8.4692 8.4692 8.7919 8.7919 9.1045 9.1045 9.6075 9.6075 9.7892 9.7892 10.1906 10.1906 10.2823 10.2823 10.6882 10.6882 10.9825 10.9825 11.4907 11.4907 12.5408 12.5408 14.6878 14.6878 16.2155 16.2155 16.8021 16.8021 17.0504 17.0504 17.5711 17.5711 k = 0.5588-0.0340 0.5163 ( 2545 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0982 -8.0982 -8.0880 -8.0880 -0.9298 -0.9298 -0.9272 -0.9272 -0.0947 -0.0947 -0.0799 -0.0799 -0.0735 -0.0735 7.0143 7.0143 7.9990 7.9990 8.3058 8.3058 8.4689 8.4689 8.7987 8.7987 9.0811 9.0811 9.6336 9.6336 9.7937 9.7937 10.1745 10.1745 10.2753 10.2753 10.7046 10.7046 11.0302 11.0302 11.4943 11.4943 12.4098 12.4098 14.7973 14.7973 16.1430 16.1430 16.7751 16.7751 17.0652 17.0652 17.5763 17.5763 k = 0.5515-0.0297 0.5283 ( 2545 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0980 -8.0980 -8.0883 -8.0883 -0.9297 -0.9297 -0.9274 -0.9274 -0.0946 -0.0946 -0.0797 -0.0797 -0.0737 -0.0737 7.0186 7.0186 7.9919 7.9919 8.3117 8.3117 8.4691 8.4691 8.8069 8.8069 9.0585 9.0585 9.6573 9.6573 9.7987 9.7987 10.1561 10.1561 10.2717 10.2717 10.7229 10.7229 11.0801 11.0801 11.4985 11.4985 12.2807 12.2807 14.9033 14.9033 16.0691 16.0691 16.7512 16.7512 17.0771 17.0771 17.5782 17.5782 k = 0.5441-0.0255 0.5403 ( 2543 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0979 -8.0979 -8.0885 -8.0885 -0.9296 -0.9296 -0.9275 -0.9275 -0.0946 -0.0946 -0.0795 -0.0795 -0.0738 -0.0738 7.0228 7.0228 7.9856 7.9856 8.3164 8.3164 8.4695 8.4695 8.8165 8.8165 9.0367 9.0367 9.6784 9.6784 9.8040 9.8040 10.1371 10.1371 10.2701 10.2701 10.7426 10.7426 11.1321 11.1321 11.5030 11.5030 12.1544 12.1544 15.0057 15.0057 15.9941 15.9941 16.7309 16.7309 17.0864 17.0864 17.5777 17.5777 k = 0.5368-0.0212 0.5523 ( 2542 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0977 -8.0977 -8.0887 -8.0887 -0.9294 -0.9294 -0.9276 -0.9276 -0.0946 -0.0946 -0.0794 -0.0794 -0.0740 -0.0740 7.0268 7.0268 7.9802 7.9802 8.3200 8.3200 8.4702 8.4702 8.8274 8.8274 9.0156 9.0156 9.6965 9.6965 9.8096 9.8096 10.1188 10.1188 10.2696 10.2696 10.7631 10.7631 11.1861 11.1861 11.5081 11.5081 12.0319 12.0319 15.1042 15.1042 15.9185 15.9185 16.7142 16.7142 17.0932 17.0932 17.5752 17.5752 k = 0.5294-0.0170 0.5643 ( 2545 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0975 -8.0975 -8.0889 -8.0889 -0.9292 -0.9292 -0.9278 -0.9278 -0.0945 -0.0945 -0.0792 -0.0792 -0.0741 -0.0741 7.0303 7.0303 7.9759 7.9759 8.3227 8.3227 8.4710 8.4710 8.8395 8.8395 8.9955 8.9955 9.7113 9.7113 9.8152 9.8152 10.1022 10.1022 10.2697 10.2697 10.7835 10.7835 11.2421 11.2421 11.5135 11.5135 11.9144 11.9144 15.1985 15.1985 15.8424 15.8424 16.7012 16.7012 17.0979 17.0979 17.5717 17.5717 k = 0.5221-0.0127 0.5764 ( 2547 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0974 -8.0974 -8.0891 -8.0891 -0.9291 -0.9291 -0.9279 -0.9279 -0.0945 -0.0945 -0.0791 -0.0791 -0.0743 -0.0743 7.0334 7.0334 7.9725 7.9725 8.3247 8.3247 8.4718 8.4718 8.8524 8.8524 8.9764 8.9764 9.7227 9.7227 9.8205 9.8205 10.0882 10.0882 10.2699 10.2699 10.8028 10.8028 11.2998 11.2998 11.5190 11.5190 11.8039 11.8039 15.2887 15.2887 15.7661 15.7661 16.6918 16.6918 17.1008 17.1008 17.5677 17.5677 k = 0.5147-0.0085 0.5884 ( 2547 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0973 -8.0973 -8.0893 -8.0893 -0.9289 -0.9289 -0.9281 -0.9281 -0.0945 -0.0945 -0.0790 -0.0790 -0.0743 -0.0743 7.0357 7.0357 7.9702 7.9702 8.3260 8.3260 8.4725 8.4725 8.8654 8.8654 8.9590 8.9590 9.7308 9.7308 9.8250 9.8250 10.0774 10.0774 10.2702 10.2702 10.8193 10.8193 11.3584 11.3584 11.5235 11.5235 11.7039 11.7039 15.3746 15.3746 15.6899 15.6899 16.6856 16.6856 17.1024 17.1024 17.5641 17.5641 k = 0.5074-0.0042 0.6004 ( 2543 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0972 -8.0972 -8.0893 -8.0893 -0.9288 -0.9288 -0.9282 -0.9282 -0.0945 -0.0945 -0.0789 -0.0789 -0.0744 -0.0744 7.0373 7.0373 7.9689 7.9689 8.3267 8.3267 8.4730 8.4730 8.8766 8.8766 8.9452 8.9452 9.7356 9.7356 9.8280 9.8280 10.0706 10.0706 10.2703 10.2703 10.8312 10.8312 11.4154 11.4154 11.5218 11.5218 11.6246 11.6246 15.4558 15.4558 15.6143 15.6143 16.6823 16.6823 17.1031 17.1031 17.5614 17.5614 k = 0.5000 0.0000 0.6124 ( 2520 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0972 -8.0972 -8.0894 -8.0894 -0.9287 -0.9287 -0.9283 -0.9283 -0.0945 -0.0945 -0.0789 -0.0789 -0.0744 -0.0744 7.0378 7.0378 7.9685 7.9685 8.3270 8.3270 8.4731 8.4731 8.8816 8.8816 8.9393 8.9393 9.7371 9.7371 9.8291 9.8291 10.0683 10.0683 10.2704 10.2704 10.8358 10.8358 11.4513 11.4513 11.5072 11.5072 11.5944 11.5944 15.5188 15.5188 15.5531 15.5531 16.6813 16.6813 17.1032 17.1032 17.5604 17.5604 k = 0.5000 0.0000 0.6124 ( 2520 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0972 -8.0972 -8.0894 -8.0894 -0.9287 -0.9287 -0.9283 -0.9283 -0.0945 -0.0945 -0.0789 -0.0789 -0.0744 -0.0744 7.0378 7.0378 7.9685 7.9685 8.3270 8.3270 8.4731 8.4731 8.8816 8.8816 8.9393 8.9393 9.7371 9.7371 9.8291 9.8291 10.0683 10.0683 10.2704 10.2704 10.8358 10.8358 11.4513 11.4513 11.5072 11.5072 11.5944 11.5944 15.5188 15.5188 15.5531 15.5531 16.6813 16.6813 17.1032 17.1032 17.5604 17.5604 k = 0.5000 0.0087 0.6000 ( 2546 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0972 -8.0972 -8.0894 -8.0894 -0.9287 -0.9287 -0.9283 -0.9283 -0.0945 -0.0945 -0.0789 -0.0789 -0.0744 -0.0744 7.0370 7.0370 7.9695 7.9695 8.3272 8.3272 8.4731 8.4731 8.8795 8.8795 8.9417 8.9417 9.7354 9.7354 9.8286 9.8286 10.0678 10.0678 10.2699 10.2699 10.8317 10.8317 11.3934 11.3934 11.5283 11.5283 11.6412 11.6412 15.5183 15.5183 15.5529 15.5529 16.6848 16.6848 17.1037 17.1037 17.5611 17.5611 k = 0.5000 0.0175 0.5876 ( 2546 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0973 -8.0973 -8.0893 -8.0893 -0.9287 -0.9287 -0.9282 -0.9282 -0.0944 -0.0944 -0.0789 -0.0789 -0.0744 -0.0744 7.0347 7.0347 7.9725 7.9725 8.3278 8.3278 8.4730 8.4730 8.8738 8.8738 8.9483 8.9483 9.7302 9.7302 9.8272 9.8272 10.0662 10.0662 10.2684 10.2684 10.8195 10.8195 11.3085 11.3085 11.5484 11.5484 11.7356 11.7356 15.5155 15.5155 15.5540 15.5540 16.6950 16.6950 17.1053 17.1053 17.5634 17.5634 k = 0.5000 0.0262 0.5753 ( 2546 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0973 -8.0973 -8.0892 -8.0892 -0.9288 -0.9288 -0.9281 -0.9281 -0.0944 -0.0944 -0.0789 -0.0789 -0.0743 -0.0743 7.0308 7.0308 7.9774 7.9774 8.3288 8.3288 8.4729 8.4729 8.8662 8.8662 8.9573 8.9573 9.7213 9.7213 9.8249 9.8249 10.0637 10.0637 10.2659 10.2659 10.8004 10.8004 11.2248 11.2248 11.5733 11.5733 11.8427 11.8427 15.5081 15.5081 15.5590 15.5590 16.7112 16.7112 17.1083 17.1083 17.5672 17.5672 k = 0.5000 0.0350 0.5629 ( 2550 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0974 -8.0974 -8.0890 -8.0890 -0.9288 -0.9288 -0.9279 -0.9279 -0.0943 -0.0943 -0.0789 -0.0789 -0.0743 -0.0743 7.0257 7.0257 7.9842 7.9842 8.3301 8.3301 8.4727 8.4727 8.8577 8.8577 8.9679 8.9679 9.7086 9.7086 9.8218 9.8218 10.0604 10.0604 10.2625 10.2625 10.7757 10.7757 11.1457 11.1457 11.6050 11.6050 11.9557 11.9557 15.4956 15.4956 15.5689 15.5689 16.7323 16.7323 17.1132 17.1132 17.5724 17.5724 k = 0.5000 0.0437 0.5505 ( 2546 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0975 -8.0975 -8.0888 -8.0888 -0.9288 -0.9288 -0.9278 -0.9278 -0.0942 -0.0942 -0.0789 -0.0789 -0.0742 -0.0742 7.0193 7.0193 7.9925 7.9925 8.3316 8.3316 8.4724 8.4724 8.8487 8.8487 8.9792 8.9792 9.6919 9.6919 9.8183 9.8183 10.0564 10.0564 10.2581 10.2581 10.7467 10.7467 11.0722 11.0722 11.6430 11.6430 12.0726 12.0726 15.4793 15.4793 15.5830 15.5830 16.7567 16.7567 17.1207 17.1207 17.5788 17.5788 k = 0.5000 0.0525 0.5381 ( 2544 PWs) bands (ev): -28.4589 -28.4589 -9.5115 -9.5115 -8.0976 -8.0976 -8.0886 -8.0886 -0.9288 -0.9288 -0.9276 -0.9276 -0.0940 -0.0940 -0.0789 -0.0789 -0.0741 -0.0741 7.0118 7.0118 8.0022 8.0022 8.3333 8.3333 8.4721 8.4721 8.8397 8.8397 8.9910 8.9910 9.6712 9.6712 9.8144 9.8144 10.0519 10.0519 10.2529 10.2529 10.7149 10.7149 11.0046 11.0046 11.6863 11.6863 12.1922 12.1922 15.4607 15.4607 15.6006 15.6006 16.7827 16.7827 17.1318 17.1318 17.5863 17.5863 k = 0.5000 0.0612 0.5258 ( 2546 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0978 -8.0978 -8.0883 -8.0883 -0.9288 -0.9288 -0.9274 -0.9274 -0.0939 -0.0939 -0.0789 -0.0789 -0.0740 -0.0740 7.0035 7.0035 8.0131 8.0131 8.3350 8.3350 8.4718 8.4718 8.8308 8.8308 9.0029 9.0029 9.6467 9.6467 9.8103 9.8103 10.0471 10.0471 10.2470 10.2470 10.6814 10.6814 10.9429 10.9429 11.7344 11.7344 12.3140 12.3140 15.4409 15.4409 15.6212 15.6212 16.8081 16.8081 17.1477 17.1477 17.5946 17.5946 k = 0.5000 0.0700 0.5134 ( 2548 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0980 -8.0980 -8.0880 -8.0880 -0.9287 -0.9287 -0.9272 -0.9272 -0.0937 -0.0937 -0.0789 -0.0789 -0.0738 -0.0738 6.9945 6.9945 8.0249 8.0249 8.3365 8.3365 8.4714 8.4714 8.8221 8.8221 9.0146 9.0146 9.6189 9.6189 9.8061 9.8061 10.0418 10.0418 10.2404 10.2404 10.6472 10.6472 10.8869 10.8869 11.7865 11.7865 12.4370 12.4370 15.4210 15.4210 15.6442 15.6442 16.8310 16.8310 17.1694 17.1694 17.6035 17.6035 k = 0.5000 0.0787 0.5010 ( 2548 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0981 -8.0981 -8.0877 -8.0877 -0.9287 -0.9287 -0.9270 -0.9270 -0.0935 -0.0935 -0.0789 -0.0789 -0.0737 -0.0737 6.9851 6.9851 8.0373 8.0373 8.3377 8.3377 8.4711 8.4711 8.8136 8.8136 9.0258 9.0258 9.5883 9.5883 9.8019 9.8019 10.0361 10.0361 10.2334 10.2334 10.6132 10.6132 10.8361 10.8361 11.8425 11.8425 12.5606 12.5606 15.4020 15.4020 15.6691 15.6691 16.8500 16.8500 17.1978 17.1978 17.6123 17.6123 k = 0.5000 0.0875 0.4887 ( 2552 PWs) bands (ev): -28.4590 -28.4590 -9.5113 -9.5113 -8.0983 -8.0983 -8.0873 -8.0873 -0.9286 -0.9286 -0.9268 -0.9268 -0.0934 -0.0934 -0.0789 -0.0789 -0.0735 -0.0735 6.9754 6.9754 8.0502 8.0502 8.3384 8.3384 8.4707 8.4707 8.8054 8.8054 9.0363 9.0363 9.5558 9.5558 9.7978 9.7978 10.0298 10.0298 10.2261 10.2261 10.5800 10.5800 10.7902 10.7902 11.9020 11.9020 12.6840 12.6840 15.3847 15.3847 15.6955 15.6955 16.8644 16.8644 17.2325 17.2325 17.6204 17.6204 k = 0.5000 0.0962 0.4763 ( 2556 PWs) bands (ev): -28.4590 -28.4590 -9.5113 -9.5113 -8.0986 -8.0986 -8.0869 -8.0869 -0.9286 -0.9286 -0.9266 -0.9266 -0.0932 -0.0932 -0.0789 -0.0789 -0.0733 -0.0733 6.9655 6.9655 8.0633 8.0633 8.3385 8.3385 8.4703 8.4703 8.7977 8.7977 9.0456 9.0456 9.5225 9.5225 9.7940 9.7940 10.0228 10.0228 10.2188 10.2188 10.5479 10.5479 10.7486 10.7486 11.9648 11.9648 12.8064 12.8064 15.3701 15.3701 15.7225 15.7225 16.8741 16.8741 17.2728 17.2728 17.6267 17.6267 k = 0.5000 0.1050 0.4639 ( 2556 PWs) bands (ev): -28.4591 -28.4591 -9.5113 -9.5113 -8.0988 -8.0988 -8.0865 -8.0865 -0.9285 -0.9285 -0.9264 -0.9264 -0.0930 -0.0930 -0.0789 -0.0789 -0.0731 -0.0731 6.9556 6.9556 8.0762 8.0762 8.3378 8.3378 8.4699 8.4699 8.7904 8.7904 9.0532 9.0532 9.4895 9.4895 9.7904 9.7904 10.0148 10.0148 10.2118 10.2118 10.5172 10.5172 10.7109 10.7109 12.0310 12.0310 12.9270 12.9270 15.3591 15.3591 15.7495 15.7495 16.8800 16.8800 17.3168 17.3168 17.6295 17.6295 k = 0.5000 0.1137 0.4515 ( 2556 PWs) bands (ev): -28.4591 -28.4591 -9.5112 -9.5112 -8.0990 -8.0990 -8.0860 -8.0860 -0.9284 -0.9284 -0.9262 -0.9262 -0.0928 -0.0928 -0.0789 -0.0789 -0.0728 -0.0728 6.9459 6.9459 8.0888 8.0888 8.3361 8.3361 8.4695 8.4695 8.7836 8.7836 9.0586 9.0586 9.4580 9.4580 9.7871 9.7871 10.0058 10.0058 10.2052 10.2052 10.4881 10.4881 10.6768 10.6768 12.1006 12.1006 13.0446 13.0446 15.3526 15.3526 15.7755 15.7755 16.8827 16.8827 17.3623 17.3623 17.6263 17.6263 k = 0.5000 0.1225 0.4392 ( 2554 PWs) bands (ev): -28.4591 -28.4591 -9.5112 -9.5112 -8.0993 -8.0993 -8.0856 -8.0856 -0.9283 -0.9283 -0.9260 -0.9260 -0.0927 -0.0927 -0.0789 -0.0789 -0.0726 -0.0726 6.9365 6.9365 8.1009 8.1009 8.3335 8.3335 8.4692 8.4692 8.7774 8.7774 9.0612 9.0612 9.4291 9.4291 9.7843 9.7843 9.9957 9.9957 10.1993 10.1993 10.4604 10.4604 10.6458 10.6458 12.1735 12.1735 13.1584 13.1584 15.3515 15.3515 15.7994 15.7994 16.8831 16.8831 17.4052 17.4052 17.6142 17.6142 k = 0.5000 0.1312 0.4268 ( 2550 PWs) bands (ev): -28.4591 -28.4591 -9.5111 -9.5111 -8.0995 -8.0995 -8.0851 -8.0851 -0.9281 -0.9281 -0.9258 -0.9258 -0.0925 -0.0925 -0.0789 -0.0789 -0.0723 -0.0723 6.9275 6.9275 8.1121 8.1121 8.3298 8.3298 8.4689 8.4689 8.7717 8.7717 9.0608 9.0608 9.4038 9.4038 9.7820 9.7820 9.9845 9.9845 10.1942 10.1942 10.4342 10.4342 10.6177 10.6177 12.2499 12.2499 13.2671 13.2671 15.3568 15.3568 15.8198 15.8198 16.8820 16.8820 17.4361 17.4361 17.5951 17.5951 k = 0.5000 0.1400 0.4144 ( 2560 PWs) bands (ev): -28.4591 -28.4591 -9.5111 -9.5111 -8.0998 -8.0998 -8.0846 -8.0846 -0.9280 -0.9280 -0.9256 -0.9256 -0.0923 -0.0923 -0.0788 -0.0788 -0.0720 -0.0720 6.9189 6.9189 8.1222 8.1222 8.3250 8.3250 8.4688 8.4688 8.7665 8.7665 9.0570 9.0570 9.3829 9.3829 9.7803 9.7803 9.9724 9.9724 10.1899 10.1899 10.4094 10.4094 10.5922 10.5922 12.3297 12.3297 13.3697 13.3697 15.3691 15.3691 15.8350 15.8350 16.8797 16.8797 17.4309 17.4309 17.5884 17.5884 k = 0.5000 0.1487 0.4021 ( 2560 PWs) bands (ev): -28.4592 -28.4592 -9.5110 -9.5110 -8.1001 -8.1001 -8.0842 -8.0842 -0.9279 -0.9279 -0.9254 -0.9254 -0.0922 -0.0922 -0.0788 -0.0788 -0.0716 -0.0716 6.9108 6.9108 8.1310 8.1310 8.3193 8.3193 8.4689 8.4689 8.7619 8.7619 9.0500 9.0500 9.3664 9.3664 9.7792 9.7792 9.9596 9.9596 10.1864 10.1864 10.3859 10.3859 10.5690 10.5690 12.4131 12.4131 13.4649 13.4649 15.3893 15.3893 15.8432 15.8432 16.8769 16.8769 17.3782 17.3782 17.6091 17.6091 k = 0.5000 0.1575 0.3897 ( 2548 PWs) bands (ev): -28.4592 -28.4592 -9.5110 -9.5110 -8.1003 -8.1003 -8.0837 -8.0837 -0.9277 -0.9277 -0.9252 -0.9252 -0.0921 -0.0921 -0.0788 -0.0788 -0.0713 -0.0713 6.9032 6.9032 8.1382 8.1382 8.3128 8.3128 8.4693 8.4693 8.7577 8.7577 9.0404 9.0404 9.3541 9.3541 9.7789 9.7789 9.9464 9.9464 10.1835 10.1835 10.3638 10.3638 10.5479 10.5479 12.5001 12.5001 13.5519 13.5519 15.4178 15.4178 15.8419 15.8419 16.8740 16.8740 17.3023 17.3023 17.6402 17.6402 k = 0.5000 0.1662 0.3773 ( 2546 PWs) bands (ev): -28.4592 -28.4592 -9.5109 -9.5109 -8.1006 -8.1006 -8.0832 -8.0832 -0.9276 -0.9276 -0.9250 -0.9250 -0.0920 -0.0920 -0.0787 -0.0787 -0.0710 -0.0710 6.8963 6.8963 8.1435 8.1435 8.3056 8.3056 8.4701 8.4701 8.7538 8.7538 9.0290 9.0290 9.3455 9.3455 9.7793 9.7793 9.9330 9.9330 10.1810 10.1810 10.3429 10.3429 10.5288 10.5288 12.5906 12.5906 13.6298 13.6298 15.4544 15.4544 15.8290 15.8290 16.8712 16.8712 17.2223 17.2223 17.6702 17.6702 k = 0.5000 0.1750 0.3649 ( 2550 PWs) bands (ev): -28.4592 -28.4592 -9.5109 -9.5109 -8.1008 -8.1008 -8.0828 -8.0828 -0.9275 -0.9275 -0.9248 -0.9248 -0.0919 -0.0919 -0.0787 -0.0787 -0.0706 -0.0706 6.8899 6.8899 8.1468 8.1468 8.2981 8.2981 8.4715 8.4715 8.7502 8.7502 9.0169 9.0169 9.3395 9.3395 9.7805 9.7805 9.9198 9.9198 10.1788 10.1788 10.3233 10.3233 10.5114 10.5114 12.6847 12.6847 13.6983 13.6983 15.4981 15.4981 15.8027 15.8027 16.8689 16.8689 17.1480 17.1480 17.6949 17.6949 k = 0.5000 0.1837 0.3526 ( 2550 PWs) bands (ev): -28.4592 -28.4592 -9.5109 -9.5109 -8.1011 -8.1011 -8.0823 -8.0823 -0.9273 -0.9273 -0.9246 -0.9246 -0.0918 -0.0918 -0.0787 -0.0787 -0.0703 -0.0703 6.8842 6.8842 8.1480 8.1480 8.2904 8.2904 8.4734 8.4734 8.7468 8.7468 9.0048 9.0048 9.3354 9.3354 9.7825 9.7825 9.9071 9.9071 10.1766 10.1766 10.3052 10.3052 10.4957 10.4957 12.7824 12.7824 13.7572 13.7572 15.5457 15.5457 15.7639 15.7639 16.8675 16.8675 17.0847 17.0847 17.7128 17.7128 k = 0.5000 0.1925 0.3402 ( 2556 PWs) bands (ev): -28.4593 -28.4593 -9.5108 -9.5108 -8.1013 -8.1013 -8.0819 -8.0819 -0.9272 -0.9272 -0.9244 -0.9244 -0.0917 -0.0917 -0.0786 -0.0786 -0.0699 -0.0699 6.8790 6.8790 8.1470 8.1470 8.2830 8.2830 8.4761 8.4761 8.7433 8.7433 8.9935 8.9935 9.3325 9.3325 9.7852 9.7852 9.8949 9.8949 10.1741 10.1741 10.2886 10.2886 10.4816 10.4816 12.8835 12.8835 13.8069 13.8069 15.5827 15.5827 15.7249 15.7249 16.8674 16.8674 17.0350 17.0350 17.7242 17.7242 k = 0.5000 0.2012 0.3278 ( 2546 PWs) bands (ev): -28.4593 -28.4593 -9.5108 -9.5108 -8.1015 -8.1015 -8.0815 -8.0815 -0.9271 -0.9271 -0.9242 -0.9242 -0.0916 -0.0916 -0.0786 -0.0786 -0.0696 -0.0696 6.8745 6.8745 8.1440 8.1440 8.2759 8.2759 8.4794 8.4794 8.7399 8.7399 8.9833 8.9833 9.3302 9.3302 9.7887 9.7887 9.8837 9.8837 10.1711 10.1711 10.2738 10.2738 10.4689 10.4689 12.9879 12.9879 13.8481 13.8481 15.5627 15.5627 15.7315 15.7315 16.8690 16.8690 16.9992 16.9992 17.7295 17.7295 k = 0.5000 0.2099 0.3155 ( 2546 PWs) bands (ev): -28.4593 -28.4593 -9.5108 -9.5108 -8.1017 -8.1017 -8.0811 -8.0811 -0.9270 -0.9270 -0.9241 -0.9241 -0.0916 -0.0916 -0.0786 -0.0786 -0.0693 -0.0693 6.8705 6.8705 8.1392 8.1392 8.2694 8.2694 8.4833 8.4833 8.7363 8.7363 8.9746 8.9746 9.3283 9.3283 9.7926 9.7926 9.8734 9.8734 10.1673 10.1673 10.2608 10.2608 10.4576 10.4576 13.0953 13.0953 13.8817 13.8817 15.4850 15.4850 15.7844 15.7844 16.8727 16.8727 16.9757 16.9757 17.7293 17.7293 k = 0.5000 0.2187 0.3031 ( 2544 PWs) bands (ev): -28.4593 -28.4593 -9.5107 -9.5107 -8.1019 -8.1019 -8.0808 -8.0808 -0.9268 -0.9268 -0.9239 -0.9239 -0.0916 -0.0916 -0.0785 -0.0785 -0.0690 -0.0690 6.8670 6.8670 8.1333 8.1333 8.2635 8.2635 8.4877 8.4877 8.7328 8.7328 8.9674 8.9674 9.3265 9.3265 9.7970 9.7970 9.8642 9.8642 10.1626 10.1626 10.2500 10.2500 10.4477 10.4477 13.2055 13.2055 13.9088 13.9088 15.3839 15.3839 15.8496 15.8496 16.8788 16.8788 16.9622 16.9622 17.7244 17.7244 k = 0.5000 0.2274 0.2907 ( 2544 PWs) bands (ev): -28.4593 -28.4593 -9.5107 -9.5107 -8.1021 -8.1021 -8.0805 -8.0805 -0.9267 -0.9267 -0.9238 -0.9238 -0.0915 -0.0915 -0.0785 -0.0785 -0.0687 -0.0687 6.8641 6.8641 8.1265 8.1265 8.2583 8.2583 8.4923 8.4923 8.7292 8.7292 8.9616 8.9616 9.3247 9.3247 9.8015 9.8015 9.8562 9.8562 10.1571 10.1571 10.2412 10.2412 10.4391 10.4391 13.3179 13.3179 13.9305 13.9305 15.2710 15.2710 15.9163 15.9163 16.8876 16.8876 16.9564 16.9564 17.7153 17.7153 k = 0.5000 0.2362 0.2784 ( 2538 PWs) bands (ev): -28.4593 -28.4593 -9.5107 -9.5107 -8.1022 -8.1022 -8.0802 -8.0802 -0.9267 -0.9267 -0.9237 -0.9237 -0.0915 -0.0915 -0.0785 -0.0785 -0.0684 -0.0684 6.8616 6.8616 8.1196 8.1196 8.2537 8.2537 8.4970 8.4970 8.7257 8.7257 8.9571 8.9571 9.3230 9.3230 9.8060 9.8060 9.8495 9.8495 10.1509 10.1509 10.2345 10.2345 10.4318 10.4318 13.4316 13.4316 13.9480 13.9480 15.1510 15.1510 15.9801 15.9801 16.8986 16.8986 16.9561 16.9561 17.7030 17.7030 k = 0.5000 0.2449 0.2660 ( 2536 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1024 -8.1024 -8.0799 -8.0799 -0.9266 -0.9266 -0.9236 -0.9236 -0.0915 -0.0915 -0.0784 -0.0784 -0.0682 -0.0682 6.8596 6.8596 8.1128 8.1128 8.2497 8.2497 8.5015 8.5015 8.7224 8.7224 8.9537 8.9537 9.3213 9.3213 9.8102 9.8102 9.8440 9.8440 10.1444 10.1444 10.2294 10.2294 10.4257 10.4257 13.5453 13.5453 13.9625 13.9625 15.0277 15.0277 16.0381 16.0381 16.9112 16.9112 16.9597 16.9597 17.6883 17.6883 k = 0.5000 0.2537 0.2536 ( 2536 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1025 -8.1025 -8.0797 -8.0797 -0.9265 -0.9265 -0.9235 -0.9235 -0.0915 -0.0915 -0.0784 -0.0784 -0.0680 -0.0680 6.8579 6.8579 8.1068 8.1068 8.2464 8.2464 8.5056 8.5056 8.7194 8.7194 8.9513 8.9513 9.3197 9.3197 9.8136 9.8136 9.8400 9.8400 10.1383 10.1383 10.2258 10.2258 10.4208 10.4208 13.6563 13.6563 13.9758 13.9758 14.9045 14.9045 16.0880 16.0880 16.9241 16.9241 16.9660 16.9660 17.6724 17.6724 k = 0.5000 0.2624 0.2412 ( 2530 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1026 -8.1026 -8.0796 -8.0796 -0.9265 -0.9265 -0.9235 -0.9235 -0.0915 -0.0915 -0.0784 -0.0784 -0.0679 -0.0679 6.8567 6.8567 8.1017 8.1017 8.2437 8.2437 8.5090 8.5090 8.7170 8.7170 8.9495 8.9495 9.3184 9.3184 9.8161 9.8161 9.8375 9.8375 10.1330 10.1330 10.2232 10.2232 10.4170 10.4170 13.7593 13.7593 13.9908 13.9908 14.7856 14.7856 16.1282 16.1282 16.9354 16.9354 16.9743 16.9743 17.6571 17.6571 k = 0.5000 0.2712 0.2289 ( 2528 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1026 -8.1026 -8.0795 -8.0795 -0.9264 -0.9264 -0.9234 -0.9234 -0.0915 -0.0915 -0.0784 -0.0784 -0.0678 -0.0678 6.8559 6.8559 8.0979 8.0979 8.2418 8.2418 8.5117 8.5117 8.7151 8.7151 8.9484 8.9484 9.3174 9.3174 9.8174 9.8174 9.8363 9.8363 10.1289 10.1289 10.2215 10.2215 10.4143 10.4143 13.8426 13.8426 14.0133 14.0133 14.6782 14.6782 16.1574 16.1574 16.9437 16.9437 16.9829 16.9829 17.6442 17.6442 k = 0.5000 0.2799 0.2165 ( 2530 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1026 -8.1026 -8.0794 -8.0794 -0.9264 -0.9264 -0.9234 -0.9234 -0.0914 -0.0914 -0.0784 -0.0784 -0.0677 -0.0677 6.8554 6.8554 8.0955 8.0955 8.2407 8.2407 8.5133 8.5133 8.7140 8.7140 8.9478 8.9478 9.3168 9.3168 9.8180 9.8180 9.8359 9.8359 10.1263 10.1263 10.2205 10.2205 10.4127 10.4127 13.8911 13.8911 14.0455 14.0455 14.5963 14.5963 16.1751 16.1751 16.9485 16.9485 16.9896 16.9896 17.6354 17.6354 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1027 -8.1027 -8.0794 -8.0794 -0.9264 -0.9264 -0.9234 -0.9234 -0.0914 -0.0914 -0.0784 -0.0784 -0.0677 -0.0677 6.8552 6.8552 8.0948 8.0948 8.2403 8.2403 8.5139 8.5139 8.7136 8.7136 8.9476 8.9476 9.3166 9.3166 9.8181 9.8181 9.8358 9.8358 10.1254 10.1254 10.2202 10.2202 10.4122 10.4122 13.9050 13.9050 14.0636 14.0636 14.5636 14.5636 16.1810 16.1810 16.9501 16.9501 16.9921 16.9921 17.6323 17.6323 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1027 -8.1027 -8.0794 -8.0794 -0.9264 -0.9264 -0.9234 -0.9234 -0.0914 -0.0914 -0.0784 -0.0784 -0.0677 -0.0677 6.8552 6.8552 8.0948 8.0948 8.2403 8.2403 8.5139 8.5139 8.7136 8.7136 8.9476 8.9476 9.3166 9.3166 9.8181 9.8181 9.8358 9.8358 10.1254 10.1254 10.2202 10.2202 10.4122 10.4122 13.9050 13.9050 14.0636 14.0636 14.5636 14.5636 16.1810 16.1810 16.9501 16.9501 16.9921 16.9921 17.6323 17.6323 k = 0.4955 0.2861 0.2187 ( 2531 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1026 -8.1026 -8.0794 -8.0794 -0.9264 -0.9264 -0.9234 -0.9234 -0.0914 -0.0914 -0.0784 -0.0784 -0.0677 -0.0677 6.8554 6.8554 8.0956 8.0956 8.2407 8.2407 8.5133 8.5133 8.7140 8.7140 8.9478 8.9478 9.3168 9.3168 9.8180 9.8180 9.8359 9.8359 10.1263 10.1263 10.2205 10.2205 10.4128 10.4128 13.8905 13.8905 14.0448 14.0448 14.5975 14.5975 16.1748 16.1748 16.9485 16.9485 16.9895 16.9895 17.6356 17.6356 k = 0.4911 0.2835 0.2333 ( 2528 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1026 -8.1026 -8.0795 -8.0795 -0.9264 -0.9264 -0.9234 -0.9234 -0.0915 -0.0915 -0.0784 -0.0784 -0.0678 -0.0678 6.8559 6.8559 8.0980 8.0980 8.2419 8.2419 8.5116 8.5116 8.7152 8.7152 8.9485 8.9485 9.3174 9.3174 9.8174 9.8174 9.8363 9.8363 10.1290 10.1290 10.2216 10.2216 10.4144 10.4144 13.8397 13.8397 14.0122 14.0122 14.6823 14.6823 16.1564 16.1564 16.9433 16.9433 16.9827 16.9827 17.6446 17.6446 k = 0.4866 0.2809 0.2479 ( 2526 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1025 -8.1025 -8.0796 -8.0796 -0.9265 -0.9265 -0.9235 -0.9235 -0.0915 -0.0915 -0.0784 -0.0784 -0.0679 -0.0679 6.8568 6.8568 8.1020 8.1020 8.2439 8.2439 8.5088 8.5088 8.7171 8.7171 8.9496 8.9496 9.3185 9.3185 9.8159 9.8159 9.8376 9.8376 10.1333 10.1333 10.2233 10.2233 10.4172 10.4172 13.7530 13.7530 13.9901 13.9901 14.7925 14.7925 16.1261 16.1261 16.9339 16.9339 16.9746 16.9746 17.6580 17.6580 k = 0.4821 0.2784 0.2624 ( 2531 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1025 -8.1025 -8.0797 -8.0797 -0.9265 -0.9265 -0.9235 -0.9235 -0.0915 -0.0915 -0.0784 -0.0784 -0.0680 -0.0680 6.8581 6.8581 8.1073 8.1073 8.2466 8.2466 8.5052 8.5052 8.7197 8.7197 8.9514 8.9514 9.3198 9.3198 9.8133 9.8133 9.8404 9.8404 10.1388 10.1388 10.2260 10.2260 10.4211 10.4211 13.6465 13.6465 13.9761 13.9761 14.9136 14.9136 16.0850 16.0850 16.9193 16.9193 16.9691 16.9691 17.6736 17.6736 k = 0.4777 0.2758 0.2770 ( 2535 PWs) bands (ev): -28.4593 -28.4593 -9.5106 -9.5106 -8.1023 -8.1023 -8.0800 -8.0800 -0.9266 -0.9266 -0.9236 -0.9236 -0.0915 -0.0915 -0.0784 -0.0784 -0.0682 -0.0682 6.8597 6.8597 8.1136 8.1136 8.2499 8.2499 8.5010 8.5010 8.7227 8.7227 8.9540 8.9540 9.3214 9.3214 9.8095 9.8095 9.8448 9.8448 10.1452 10.1452 10.2297 10.2297 10.4263 10.4263 13.5318 13.5318 13.9646 13.9646 15.0372 15.0372 16.0352 16.0352 16.8999 16.8999 16.9686 16.9686 17.6895 17.6895 k = 0.4732 0.2732 0.2916 ( 2540 PWs) bands (ev): -28.4593 -28.4593 -9.5107 -9.5107 -8.1022 -8.1022 -8.0802 -8.0802 -0.9267 -0.9267 -0.9237 -0.9237 -0.0915 -0.0915 -0.0785 -0.0785 -0.0685 -0.0685 6.8619 6.8619 8.1207 8.1207 8.2538 8.2538 8.4964 8.4964 8.7261 8.7261 8.9577 8.9577 9.3232 9.3232 9.8049 9.8049 9.8508 9.8508 10.1520 10.1520 10.2347 10.2347 10.4327 10.4327 13.4140 13.4140 13.9534 13.9534 15.1564 15.1564 15.9813 15.9813 16.8771 16.8771 16.9743 16.9743 17.7038 17.7038 k = 0.4688 0.2706 0.3062 ( 2537 PWs) bands (ev): -28.4593 -28.4593 -9.5107 -9.5107 -8.1021 -8.1021 -8.0805 -8.0805 -0.9268 -0.9268 -0.9238 -0.9238 -0.0915 -0.0915 -0.0785 -0.0785 -0.0687 -0.0687 6.8644 6.8644 8.1283 8.1283 8.2580 8.2580 8.4918 8.4918 8.7297 8.7297 8.9626 8.9626 9.3249 9.3249 9.7997 9.7997 9.8584 9.8584 10.1589 10.1589 10.2412 10.2412 10.4404 10.4404 13.2956 13.2956 13.9415 13.9415 15.2620 15.2620 15.9316 15.9316 16.8523 16.8523 16.9868 16.9868 17.7153 17.7153 k = 0.4643 0.2681 0.3208 ( 2543 PWs) bands (ev): -28.4593 -28.4593 -9.5107 -9.5107 -8.1019 -8.1019 -8.0808 -8.0808 -0.9269 -0.9269 -0.9240 -0.9240 -0.0916 -0.0916 -0.0785 -0.0785 -0.0690 -0.0690 6.8675 6.8675 8.1360 8.1360 8.2623 8.2623 8.4873 8.4873 8.7333 8.7333 8.9690 8.9690 9.3266 9.3266 9.7943 9.7943 9.8675 9.8675 10.1654 10.1654 10.2491 10.2491 10.4496 10.4496 13.1778 13.1778 13.9285 13.9285 15.3385 15.3385 15.9012 15.9012 16.8263 16.8263 17.0067 17.0067 17.7229 17.7229 k = 0.4598 0.2655 0.3353 ( 2541 PWs) bands (ev): -28.4593 -28.4593 -9.5108 -9.5108 -8.1017 -8.1017 -8.0812 -8.0812 -0.9270 -0.9270 -0.9241 -0.9241 -0.0916 -0.0916 -0.0786 -0.0786 -0.0693 -0.0693 6.8711 6.8711 8.1435 8.1435 8.2664 8.2664 8.4833 8.4833 8.7369 8.7369 8.9772 8.9772 9.3283 9.3283 9.7889 9.7889 9.8782 9.8782 10.1717 10.1717 10.2584 10.2584 10.4602 10.4602 13.0613 13.0613 13.9143 13.9143 15.3660 15.3660 15.9101 15.9101 16.8000 16.8000 17.0346 17.0346 17.7262 17.7262 k = 0.4554 0.2629 0.3499 ( 2543 PWs) bands (ev): -28.4592 -28.4592 -9.5108 -9.5108 -8.1015 -8.1015 -8.0816 -8.0816 -0.9271 -0.9271 -0.9243 -0.9243 -0.0917 -0.0917 -0.0786 -0.0786 -0.0696 -0.0696 6.8752 6.8752 8.1505 8.1505 8.2699 8.2699 8.4800 8.4800 8.7403 8.7403 8.9874 8.9874 9.3297 9.3297 9.7835 9.7835 9.8903 9.8903 10.1776 10.1776 10.2689 10.2689 10.4724 10.4724 12.9463 12.9463 13.8986 13.8986 15.3389 15.3389 15.9638 15.9638 16.7740 16.7740 17.0713 17.0713 17.7250 17.7250 k = 0.4509 0.2603 0.3645 ( 2547 PWs) bands (ev): -28.4592 -28.4592 -9.5108 -9.5108 -8.1013 -8.1013 -8.0820 -8.0820 -0.9272 -0.9272 -0.9244 -0.9244 -0.0917 -0.0917 -0.0787 -0.0787 -0.0700 -0.0700 6.8798 6.8798 8.1567 8.1567 8.2727 8.2727 8.4777 8.4777 8.7435 8.7435 8.9998 8.9998 9.3311 9.3311 9.7785 9.7785 9.9039 9.9039 10.1834 10.1834 10.2803 10.2803 10.4862 10.4862 12.8332 12.8332 13.8816 13.8816 15.2733 15.2733 16.0458 16.0458 16.7491 16.7491 17.1174 17.1174 17.7193 17.7193 k = 0.4464 0.2577 0.3791 ( 2548 PWs) bands (ev): -28.4592 -28.4592 -9.5109 -9.5109 -8.1010 -8.1010 -8.0824 -8.0824 -0.9274 -0.9274 -0.9246 -0.9246 -0.0918 -0.0918 -0.0787 -0.0787 -0.0703 -0.0703 6.8850 6.8850 8.1619 8.1619 8.2743 8.2743 8.4764 8.4764 8.7463 8.7463 9.0146 9.0146 9.3323 9.3323 9.7738 9.7738 9.9190 9.9190 10.1895 10.1895 10.2922 10.2922 10.5017 10.5017 12.7219 12.7219 13.8633 13.8633 15.1868 15.1868 16.1380 16.1380 16.7257 16.7257 17.1732 17.1732 17.7095 17.7095 k = 0.4420 0.2552 0.3937 ( 2549 PWs) bands (ev): -28.4592 -28.4592 -9.5109 -9.5109 -8.1008 -8.1008 -8.0829 -8.0829 -0.9275 -0.9275 -0.9248 -0.9248 -0.0919 -0.0919 -0.0788 -0.0788 -0.0706 -0.0706 6.8908 6.8908 8.1659 8.1659 8.2749 8.2749 8.4761 8.4761 8.7488 8.7488 9.0316 9.0316 9.3336 9.3336 9.7696 9.7696 9.9355 9.9355 10.1960 10.1960 10.3044 10.3044 10.5188 10.5188 12.6125 12.6125 13.8435 13.8435 15.0898 15.0898 16.2295 16.2295 16.7047 16.7047 17.2386 17.2386 17.6967 17.6967 k = 0.4375 0.2526 0.4082 ( 2555 PWs) bands (ev): -28.4592 -28.4592 -9.5110 -9.5110 -8.1005 -8.1005 -8.0833 -8.0833 -0.9277 -0.9277 -0.9250 -0.9250 -0.0920 -0.0920 -0.0789 -0.0789 -0.0710 -0.0710 6.8970 6.8970 8.1683 8.1683 8.2746 8.2746 8.4765 8.4765 8.7510 8.7510 9.0507 9.0507 9.3349 9.3349 9.7660 9.7660 9.9532 9.9532 10.2032 10.2032 10.3166 10.3166 10.5376 10.5376 12.5051 12.5051 13.8225 13.8225 14.9878 14.9878 16.3143 16.3143 16.6868 16.6868 17.3118 17.3118 17.6827 17.6827 k = 0.4330 0.2500 0.4228 ( 2554 PWs) bands (ev): -28.4592 -28.4592 -9.5110 -9.5110 -8.1003 -8.1003 -8.0838 -8.0838 -0.9278 -0.9278 -0.9252 -0.9252 -0.0921 -0.0921 -0.0790 -0.0790 -0.0713 -0.0713 6.9038 6.9038 8.1690 8.1690 8.2735 8.2735 8.4776 8.4776 8.7529 8.7529 9.0716 9.0716 9.3364 9.3364 9.7631 9.7631 9.9722 9.9722 10.2114 10.2114 10.3288 10.3288 10.5578 10.5578 12.3997 12.3997 13.8002 13.8002 14.8841 14.8841 16.3888 16.3888 16.6733 16.6733 17.3876 17.3876 17.6716 17.6716 k = 0.4286 0.2474 0.4374 ( 2552 PWs) bands (ev): -28.4591 -28.4591 -9.5110 -9.5110 -8.1001 -8.1001 -8.0842 -8.0842 -0.9280 -0.9280 -0.9254 -0.9254 -0.0922 -0.0922 -0.0791 -0.0791 -0.0715 -0.0715 6.9110 6.9110 8.1679 8.1679 8.2721 8.2721 8.4790 8.4790 8.7545 8.7545 9.0938 9.0938 9.3383 9.3383 9.7609 9.7609 9.9924 9.9924 10.2208 10.2208 10.3409 10.3409 10.5793 10.5793 12.2965 12.2965 13.7768 13.7768 14.7810 14.7810 16.4506 16.4506 16.6661 16.6661 17.4532 17.4532 17.6732 17.6732 k = 0.4241 0.2449 0.4520 ( 2554 PWs) bands (ev): -28.4591 -28.4591 -9.5111 -9.5111 -8.0998 -8.0998 -8.0847 -8.0847 -0.9282 -0.9282 -0.9256 -0.9256 -0.0924 -0.0924 -0.0792 -0.0792 -0.0718 -0.0718 6.9186 6.9186 8.1648 8.1648 8.2706 8.2706 8.4804 8.4804 8.7558 8.7558 9.1169 9.1169 9.3407 9.3407 9.7594 9.7594 10.0136 10.0136 10.2317 10.2317 10.3530 10.3530 10.6018 10.6018 12.1955 12.1955 13.7523 13.7523 14.6798 14.6798 16.4973 16.4973 16.6682 16.6682 17.4864 17.4864 17.6887 17.6887 k = 0.4196 0.2423 0.4666 ( 2551 PWs) bands (ev): -28.4591 -28.4591 -9.5111 -9.5111 -8.0996 -8.0996 -8.0851 -8.0851 -0.9283 -0.9283 -0.9258 -0.9258 -0.0925 -0.0925 -0.0794 -0.0794 -0.0720 -0.0720 6.9264 6.9264 8.1597 8.1597 8.2692 8.2692 8.4817 8.4817 8.7570 8.7570 9.1400 9.1400 9.3437 9.3437 9.7587 9.7587 10.0357 10.0357 10.2440 10.2440 10.3655 10.3655 10.6250 10.6250 12.0971 12.0971 13.7267 13.7267 14.5817 14.5817 16.5272 16.5272 16.6820 16.6820 17.4826 17.4826 17.6551 17.6551 k = 0.4152 0.2397 0.4811 ( 2555 PWs) bands (ev): -28.4591 -28.4591 -9.5112 -9.5112 -8.0994 -8.0994 -8.0855 -8.0855 -0.9285 -0.9285 -0.9260 -0.9260 -0.0927 -0.0927 -0.0795 -0.0795 -0.0722 -0.0722 6.9345 6.9345 8.1530 8.1530 8.2681 8.2681 8.4827 8.4827 8.7579 8.7579 9.1626 9.1626 9.3475 9.3475 9.7586 9.7586 10.0585 10.0585 10.2580 10.2580 10.3787 10.3787 10.6484 10.6484 12.0016 12.0016 13.7003 13.7003 14.4875 14.4875 16.5432 16.5432 16.7057 16.7057 17.4580 17.4580 17.6080 17.6080 k = 0.4107 0.2371 0.4957 ( 2555 PWs) bands (ev): -28.4591 -28.4591 -9.5112 -9.5112 -8.0993 -8.0993 -8.0858 -8.0858 -0.9287 -0.9287 -0.9261 -0.9261 -0.0929 -0.0929 -0.0797 -0.0797 -0.0723 -0.0723 6.9426 6.9426 8.1448 8.1448 8.2670 8.2670 8.4834 8.4834 8.7588 8.7588 9.1841 9.1841 9.3520 9.3520 9.7592 9.7592 10.0817 10.0817 10.2735 10.2735 10.3933 10.3933 10.6714 10.6714 11.9099 11.9099 13.6731 13.6731 14.3980 14.3980 16.5513 16.5513 16.7341 16.7341 17.4223 17.4223 17.5638 17.5638 k = 0.4062 0.2345 0.5103 ( 2557 PWs) bands (ev): -28.4591 -28.4591 -9.5113 -9.5113 -8.0991 -8.0991 -8.0861 -8.0861 -0.9289 -0.9289 -0.9263 -0.9263 -0.0931 -0.0931 -0.0799 -0.0799 -0.0724 -0.0724 6.9507 6.9507 8.1356 8.1356 8.2659 8.2659 8.4836 8.4836 8.7597 8.7597 9.2038 9.2038 9.3573 9.3573 9.7602 9.7602 10.1047 10.1047 10.2903 10.2903 10.4102 10.4102 10.6932 10.6932 11.8226 11.8226 13.6451 13.6451 14.3135 14.3135 16.5568 16.5568 16.7625 16.7625 17.3791 17.3791 17.5257 17.5257 k = 0.4018 0.2320 0.5249 ( 2559 PWs) bands (ev): -28.4590 -28.4590 -9.5113 -9.5113 -8.0990 -8.0990 -8.0864 -8.0864 -0.9291 -0.9291 -0.9264 -0.9264 -0.0933 -0.0933 -0.0801 -0.0801 -0.0725 -0.0725 6.9585 6.9585 8.1255 8.1255 8.2646 8.2646 8.4834 8.4834 8.7606 8.7606 9.2216 9.2216 9.3633 9.3633 9.7617 9.7617 10.1269 10.1269 10.3079 10.3079 10.4305 10.4305 10.7127 10.7127 11.7412 11.7412 13.6166 13.6166 14.2344 14.2344 16.5623 16.5623 16.7885 16.7885 17.3306 17.3306 17.4946 17.4946 k = 0.3973 0.2294 0.5395 ( 2557 PWs) bands (ev): -28.4590 -28.4590 -9.5113 -9.5113 -8.0990 -8.0990 -8.0866 -8.0866 -0.9293 -0.9293 -0.9265 -0.9265 -0.0935 -0.0935 -0.0802 -0.0802 -0.0725 -0.0725 6.9660 6.9660 8.1150 8.1150 8.2628 8.2628 8.4828 8.4828 8.7617 8.7617 9.2371 9.2371 9.3698 9.3698 9.7634 9.7634 10.1478 10.1478 10.3256 10.3256 10.4557 10.4557 10.7288 10.7288 11.6671 11.6671 13.5875 13.5875 14.1610 14.1610 16.5691 16.5691 16.8110 16.8110 17.2788 17.2788 17.4707 17.4707 k = 0.3929 0.2268 0.5541 ( 2559 PWs) bands (ev): -28.4590 -28.4590 -9.5113 -9.5113 -8.0989 -8.0989 -8.0868 -8.0868 -0.9295 -0.9295 -0.9266 -0.9266 -0.0938 -0.0938 -0.0804 -0.0804 -0.0726 -0.0726 6.9729 6.9729 8.1040 8.1040 8.2606 8.2606 8.4819 8.4819 8.7630 8.7630 9.2505 9.2505 9.3764 9.3764 9.7651 9.7651 10.1668 10.1668 10.3426 10.3426 10.4866 10.4866 10.7398 10.7398 11.6024 11.6024 13.5580 13.5580 14.0934 14.0934 16.5777 16.5777 16.8294 16.8294 17.2253 17.2253 17.4539 17.4539 k = 0.3884 0.2242 0.5686 ( 2558 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0989 -8.0989 -8.0868 -8.0868 -0.9297 -0.9297 -0.9267 -0.9267 -0.0940 -0.0940 -0.0806 -0.0806 -0.0726 -0.0726 6.9790 6.9790 8.0929 8.0929 8.2578 8.2578 8.4805 8.4805 8.7647 8.7647 9.2620 9.2620 9.3828 9.3828 9.7668 9.7668 10.1834 10.1834 10.3586 10.3586 10.5237 10.5237 10.7443 10.7443 11.5494 11.5494 13.5282 13.5282 14.0316 14.0316 16.5883 16.5883 16.8435 16.8435 17.1715 17.1715 17.4444 17.4444 k = 0.3839 0.2217 0.5832 ( 2560 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0990 -8.0990 -8.0869 -8.0869 -0.9300 -0.9300 -0.9267 -0.9267 -0.0943 -0.0943 -0.0807 -0.0807 -0.0726 -0.0726 6.9841 6.9841 8.0815 8.0815 8.2544 8.2544 8.4788 8.4788 8.7669 8.7669 9.2718 9.2718 9.3888 9.3888 9.7684 9.7684 10.1974 10.1974 10.3734 10.3734 10.5661 10.5661 10.7412 10.7412 11.5101 11.5101 13.4981 13.4981 13.9755 13.9755 16.6008 16.6008 16.8536 16.8536 17.1185 17.1185 17.4419 17.4419 k = 0.3795 0.2191 0.5978 ( 2562 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0869 -8.0869 -0.9302 -0.9302 -0.9268 -0.9268 -0.0946 -0.0946 -0.0808 -0.0808 -0.0726 -0.0726 6.9881 6.9881 8.0699 8.0699 8.2507 8.2507 8.4768 8.4768 8.7695 8.7695 9.2801 9.2801 9.3941 9.3941 9.7696 9.7696 10.2089 10.2089 10.3873 10.3873 10.6114 10.6114 10.7317 10.7317 11.4860 11.4860 13.4678 13.4678 13.9250 13.9250 16.6148 16.6148 16.8602 16.8602 17.0675 17.0675 17.4462 17.4462 k = 0.3750 0.2165 0.6124 ( 2574 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0868 -8.0868 -0.9305 -0.9305 -0.9268 -0.9268 -0.0948 -0.0948 -0.0809 -0.0809 -0.0726 -0.0726 6.9905 6.9905 8.0577 8.0577 8.2468 8.2468 8.4745 8.4745 8.7726 8.7726 9.2870 9.2870 9.3987 9.3987 9.7707 9.7707 10.2180 10.2180 10.4000 10.4000 10.6493 10.6493 10.7258 10.7258 11.4772 11.4772 13.4374 13.4374 13.8799 13.8799 16.6300 16.6300 16.8637 16.8637 17.0197 17.0197 17.4568 17.4568 k = 0.6250-0.0722 0.4082 ( 2574 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0991 -8.0991 -8.0868 -8.0868 -0.9305 -0.9305 -0.9268 -0.9268 -0.0948 -0.0948 -0.0809 -0.0809 -0.0726 -0.0726 6.9905 6.9905 8.0577 8.0577 8.2468 8.2468 8.4745 8.4745 8.7726 8.7726 9.2870 9.2870 9.3987 9.3987 9.7707 9.7707 10.2180 10.2180 10.4000 10.4000 10.6493 10.6493 10.7258 10.7258 11.4772 11.4772 13.4374 13.4374 13.8799 13.8799 16.6300 16.6300 16.8637 16.8637 17.0197 17.0197 17.4568 17.4568 k = 0.6176-0.0849 0.4082 ( 2558 PWs) bands (ev): -28.4590 -28.4590 -9.5114 -9.5114 -8.0993 -8.0993 -8.0866 -8.0866 -0.9309 -0.9309 -0.9267 -0.9267 -0.0953 -0.0953 -0.0811 -0.0811 -0.0726 -0.0726 6.9925 6.9925 8.0370 8.0370 8.2411 8.2411 8.4700 8.4700 8.7792 8.7792 9.2958 9.2958 9.4057 9.4057 9.7718 9.7718 10.2294 10.2294 10.4180 10.4180 10.6537 10.6537 10.7783 10.7783 11.4755 11.4755 13.3878 13.3878 13.8113 13.8113 16.6539 16.6539 16.8652 16.8652 16.9501 16.9501 17.4769 17.4769 k = 0.6103-0.0976 0.4082 ( 2554 PWs) bands (ev): -28.4589 -28.4589 -9.5114 -9.5114 -8.0995 -8.0995 -8.0864 -8.0864 -0.9313 -0.9313 -0.9267 -0.9267 -0.0958 -0.0958 -0.0812 -0.0812 -0.0725 -0.0725 6.9930 6.9930 8.0165 8.0165 8.2366 8.2366 8.4651 8.4651 8.7879 8.7879 9.3017 9.3017 9.4127 9.4127 9.7723 9.7723 10.2379 10.2379 10.4290 10.4290 10.6380 10.6380 10.8663 10.8663 11.4748 11.4748 13.3390 13.3390 13.7455 13.7455 16.6751 16.6751 16.8421 16.8421 16.9115 16.9115 17.4922 17.4922 k = 0.6029-0.1104 0.4082 ( 2546 PWs) bands (ev): -28.4589 -28.4589 -9.5114 -9.5114 -8.0997 -8.0997 -8.0861 -8.0861 -0.9317 -0.9317 -0.9267 -0.9267 -0.0963 -0.0963 -0.0813 -0.0813 -0.0725 -0.0725 6.9923 6.9923 7.9967 7.9967 8.2331 8.2331 8.4597 8.4597 8.7986 8.7986 9.3048 9.3048 9.4195 9.4195 9.7725 9.7725 10.2428 10.2428 10.4294 10.4294 10.6325 10.6325 10.9621 10.9621 11.4757 11.4757 13.2912 13.2912 13.6823 13.6823 16.6941 16.6941 16.7844 16.7844 16.9135 16.9135 17.5011 17.5011 k = 0.5956-0.1231 0.4082 ( 2554 PWs) bands (ev): -28.4589 -28.4589 -9.5114 -9.5114 -8.0999 -8.0999 -8.0859 -8.0859 -0.9321 -0.9321 -0.9267 -0.9267 -0.0967 -0.0967 -0.0815 -0.0815 -0.0724 -0.0724 6.9906 6.9906 7.9776 7.9776 8.2306 8.2306 8.4541 8.4541 8.8112 8.8112 9.3058 9.3058 9.4257 9.4257 9.7725 9.7725 10.2434 10.2434 10.4197 10.4197 10.6404 10.6404 11.0604 11.0604 11.4792 11.4792 13.2444 13.2444 13.6214 13.6214 16.7096 16.7096 16.7234 16.7234 16.9258 16.9258 17.5020 17.5020 k = 0.5882-0.1358 0.4082 ( 2554 PWs) bands (ev): -28.4589 -28.4589 -9.5113 -9.5113 -8.1001 -8.1001 -8.0856 -8.0856 -0.9325 -0.9325 -0.9266 -0.9266 -0.0972 -0.0972 -0.0817 -0.0817 -0.0724 -0.0724 6.9881 6.9881 7.9596 7.9596 8.2289 8.2289 8.4482 8.4482 8.8257 8.8257 9.3047 9.3047 9.4311 9.4311 9.7726 9.7726 10.2381 10.2381 10.4052 10.4052 10.6585 10.6585 11.1573 11.1573 11.4875 11.4875 13.1986 13.1986 13.5626 13.5626 16.6601 16.6601 16.7281 16.7281 16.9407 16.9407 17.4935 17.4935 k = 0.5809-0.1486 0.4082 ( 2546 PWs) bands (ev): -28.4589 -28.4589 -9.5113 -9.5113 -8.1003 -8.1003 -8.0853 -8.0853 -0.9329 -0.9329 -0.9266 -0.9266 -0.0977 -0.0977 -0.0818 -0.0818 -0.0723 -0.0723 6.9850 6.9850 7.9428 7.9428 8.2278 8.2278 8.4422 8.4422 8.8420 8.8420 9.3020 9.3020 9.4353 9.4353 9.7732 9.7732 10.2257 10.2257 10.3917 10.3917 10.6824 10.6824 11.2468 11.2468 11.5055 11.5055 13.1541 13.1541 13.5056 13.5056 16.6032 16.6032 16.7428 16.7428 16.9564 16.9564 17.4748 17.4748 k = 0.5735-0.1613 0.4082 ( 2548 PWs) bands (ev): -28.4589 -28.4589 -9.5113 -9.5113 -8.1005 -8.1005 -8.0850 -8.0850 -0.9333 -0.9333 -0.9266 -0.9266 -0.0981 -0.0981 -0.0819 -0.0819 -0.0723 -0.0723 6.9815 6.9815 7.9273 7.9273 8.2274 8.2274 8.4363 8.4363 8.8599 8.8599 9.2977 9.2977 9.4383 9.4383 9.7745 9.7745 10.2061 10.2061 10.3824 10.3824 10.7089 10.7089 11.3180 11.3180 11.5428 11.5428 13.1107 13.1107 13.4502 13.4502 16.5502 16.5502 16.7567 16.7567 16.9721 16.9721 17.4461 17.4461 k = 0.5662-0.1741 0.4082 ( 2544 PWs) bands (ev): -28.4589 -28.4589 -9.5113 -9.5113 -8.1007 -8.1007 -8.0847 -8.0847 -0.9337 -0.9337 -0.9266 -0.9266 -0.0986 -0.0986 -0.0821 -0.0821 -0.0722 -0.0722 6.9779 6.9779 7.9131 7.9131 8.2275 8.2275 8.4304 8.4304 8.8792 8.8792 9.2918 9.2918 9.4400 9.4400 9.7766 9.7766 10.1810 10.1810 10.3776 10.3776 10.7364 10.7364 11.3621 11.3621 11.6071 11.6071 13.0686 13.0686 13.3965 13.3965 16.5016 16.5016 16.7696 16.7696 16.9873 16.9873 17.4088 17.4088 k = 0.5588-0.1868 0.4082 ( 2538 PWs) bands (ev): -28.4589 -28.4589 -9.5113 -9.5113 -8.1009 -8.1009 -8.0845 -8.0845 -0.9340 -0.9340 -0.9266 -0.9266 -0.0990 -0.0990 -0.0822 -0.0822 -0.0721 -0.0721 6.9741 6.9741 7.9003 7.9003 8.2280 8.2280 8.4247 8.4247 8.8998 8.8998 9.2845 9.2845 9.4405 9.4405 9.7799 9.7799 10.1528 10.1528 10.3759 10.3759 10.7634 10.7634 11.3844 11.3844 11.6922 11.6922 13.0276 13.0276 13.3445 13.3445 16.4575 16.4575 16.7814 16.7814 17.0016 17.0016 17.3654 17.3654 k = 0.5515-0.1995 0.4082 ( 2538 PWs) bands (ev): -28.4589 -28.4589 -9.5113 -9.5113 -8.1011 -8.1011 -8.0842 -8.0842 -0.9343 -0.9343 -0.9265 -0.9265 -0.0993 -0.0993 -0.0823 -0.0823 -0.0721 -0.0721 6.9705 6.9705 7.8890 7.8890 8.2287 8.2287 8.4194 8.4194 8.9214 8.9214 9.2755 9.2755 9.4400 9.4400 9.7842 9.7842 10.1234 10.1234 10.3762 10.3762 10.7892 10.7892 11.3954 11.3954 11.7864 11.7864 12.9875 12.9875 13.2946 13.2946 16.4183 16.4183 16.7920 16.7920 17.0149 17.0149 17.3190 17.3190 k = 0.5441-0.2123 0.4082 ( 2540 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1012 -8.1012 -8.0840 -8.0840 -0.9345 -0.9345 -0.9265 -0.9265 -0.0997 -0.0997 -0.0824 -0.0824 -0.0720 -0.0720 6.9671 6.9671 7.8792 7.8792 8.2296 8.2296 8.4145 8.4145 8.9435 8.9435 9.2651 9.2651 9.4387 9.4387 9.7896 9.7896 10.0945 10.0945 10.3776 10.3776 10.8129 10.8129 11.4011 11.4011 11.8823 11.8823 12.9482 12.9482 13.2475 13.2475 16.3840 16.3840 16.8012 16.8012 17.0267 17.0267 17.2728 17.2728 k = 0.5368-0.2250 0.4082 ( 2542 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1013 -8.1013 -8.0838 -8.0838 -0.9348 -0.9348 -0.9265 -0.9265 -0.1000 -0.1000 -0.0825 -0.0825 -0.0720 -0.0720 6.9640 6.9640 7.8709 7.8709 8.2306 8.2306 8.4101 8.4101 8.9657 8.9657 9.2534 9.2534 9.4370 9.4370 9.7959 9.7959 10.0672 10.0672 10.3793 10.3793 10.8341 10.8341 11.4042 11.4042 11.9758 11.9758 12.9093 12.9093 13.2041 13.2041 16.3547 16.3547 16.8088 16.8088 17.0371 17.0371 17.2293 17.2293 k = 0.5294-0.2377 0.4082 ( 2538 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1014 -8.1014 -8.0836 -8.0836 -0.9350 -0.9350 -0.9265 -0.9265 -0.1002 -0.1002 -0.0826 -0.0826 -0.0719 -0.0719 6.9613 6.9613 7.8641 7.8641 8.2316 8.2316 8.4063 8.4063 8.9873 8.9873 9.2408 9.2408 9.4350 9.4350 9.8029 9.8029 10.0425 10.0425 10.3811 10.3811 10.8522 10.8522 11.4059 11.4059 12.0635 12.0635 12.8709 12.8709 13.1659 13.1659 16.3306 16.3306 16.8148 16.8148 17.0458 17.0458 17.1911 17.1911 k = 0.5221-0.2505 0.4082 ( 2534 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1015 -8.1015 -8.0835 -8.0835 -0.9351 -0.9351 -0.9265 -0.9265 -0.1004 -0.1004 -0.0827 -0.0827 -0.0719 -0.0719 6.9592 6.9592 7.8588 7.8588 8.2324 8.2324 8.4033 8.4033 9.0072 9.0072 9.2281 9.2281 9.4333 9.4333 9.8099 9.8099 10.0214 10.0214 10.3826 10.3826 10.8668 10.8668 11.4069 11.4069 12.1419 12.1419 12.8338 12.8338 13.1343 13.1343 16.3117 16.3117 16.8191 16.8191 17.0528 17.0528 17.1599 17.1599 k = 0.5147-0.2632 0.4082 ( 2530 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1016 -8.1016 -8.0834 -8.0834 -0.9352 -0.9352 -0.9265 -0.9265 -0.1005 -0.1005 -0.0827 -0.0827 -0.0718 -0.0718 6.9576 6.9576 7.8550 7.8550 8.2331 8.2331 8.4010 8.4010 9.0240 9.0240 9.2166 9.2166 9.4318 9.4318 9.8161 9.8161 10.0049 10.0049 10.3838 10.3838 10.8775 10.8775 11.4074 11.4074 12.2061 12.2061 12.8005 12.8005 13.1107 13.1107 16.2982 16.2982 16.8219 16.8219 17.0578 17.0578 17.1369 17.1369 k = 0.5074-0.2759 0.4082 ( 2522 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1016 -8.1016 -8.0834 -8.0834 -0.9353 -0.9353 -0.9265 -0.9265 -0.1006 -0.1006 -0.0828 -0.0828 -0.0718 -0.0718 6.9566 6.9566 7.8527 7.8527 8.2335 8.2335 8.3997 8.3997 9.0356 9.0356 9.2081 9.2081 9.4309 9.4309 9.8206 9.8206 9.9943 9.9943 10.3846 10.3846 10.8840 10.8840 11.4076 11.4076 12.2497 12.2497 12.7760 12.7760 13.0963 13.0963 16.2901 16.2901 16.8234 16.8234 17.0609 17.0609 17.1229 17.1229 k = 0.5000-0.2887 0.4082 ( 2538 PWs) bands (ev): -28.4589 -28.4589 -9.5112 -9.5112 -8.1016 -8.1016 -8.0833 -8.0833 -0.9353 -0.9353 -0.9265 -0.9265 -0.1006 -0.1006 -0.0828 -0.0828 -0.0718 -0.0718 6.9563 6.9563 7.8520 7.8520 8.2337 8.2337 8.3992 8.3992 9.0398 9.0398 9.2050 9.2050 9.4306 9.4306 9.8222 9.8222 9.9906 9.9906 10.3848 10.3848 10.8862 10.8862 11.4077 11.4077 12.2654 12.2654 12.7668 12.7668 13.0914 13.0914 16.2874 16.2874 16.8239 16.8239 17.0619 17.0619 17.1181 17.1181 Writing output data file YInAu2.save init_run : 0.36s CPU 0.48s WALL ( 1 calls) electrons : 164.14s CPU 166.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 164.13s CPU 166.81s 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 : 0.09s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 308 calls) cegterg : 151.08s CPU 153.21s WALL ( 492 calls) Called by sum_band: Called by *egterg: h_psi : 89.58s CPU 91.33s WALL ( 7626 calls) s_psi : 5.79s CPU 5.86s WALL ( 7626 calls) g_psi : 0.24s CPU 0.19s WALL ( 6826 calls) cdiaghg : 52.75s CPU 53.36s WALL ( 7134 calls) cegterg:over : 5.01s CPU 5.10s WALL ( 6826 calls) cegterg:upda : 3.41s CPU 3.47s WALL ( 6826 calls) cegterg:last : 2.54s CPU 2.56s WALL ( 1416 calls) cdiaghg:chol : 2.95s CPU 2.92s WALL ( 7134 calls) cdiaghg:inve : 1.90s CPU 1.99s WALL ( 7134 calls) cdiaghg:para : 3.26s CPU 3.24s WALL ( 14268 calls) Called by h_psi: h_psi:vloc : 77.50s CPU 79.29s WALL ( 7626 calls) h_psi:vnl : 11.88s CPU 11.86s WALL ( 7626 calls) add_vuspsi : 6.52s CPU 6.47s WALL ( 7626 calls) General routines calbec : 5.33s CPU 5.37s WALL ( 7626 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 71.03s CPU 72.95s WALL ( 964648 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.14s WALL ( 616 calls) Parallel routines fft_scatter : 24.58s CPU 25.77s WALL ( 964671 calls) PWSCF : 2m58.24s CPU 3m10.23s WALL This run was terminated on: 13:27:29 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=