Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:28:55 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: ./KAu5.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 92 37 10 3441 847 134 Max 94 38 11 3444 864 137 Sum 3343 1333 379 123925 30839 4873 bravais-lattice index = 14 lattice parameter (alat) = 10.7015 a.u. unit-cell volume = 840.2122 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 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)= 10.701518 celldm(2)= 1.000000 celldm(3)= 0.791630 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 0.791630 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.263217 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) Au 11.00 196.96660 Au( 1.00) 24 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 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 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 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 = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 295 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0151515 0.0087477 -0.0000000), wk = 0.0033898 k( 3) = ( 0.0303030 0.0174955 -0.0000000), wk = 0.0033898 k( 4) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0033898 k( 5) = ( 0.0606061 0.0349909 -0.0000000), wk = 0.0033898 k( 6) = ( 0.0757576 0.0437387 -0.0000000), wk = 0.0033898 k( 7) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0033898 k( 8) = ( 0.1060606 0.0612341 -0.0000000), wk = 0.0033898 k( 9) = ( 0.1212121 0.0699819 -0.0000000), wk = 0.0033898 k( 10) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0033898 k( 11) = ( 0.1515151 0.0874773 -0.0000000), wk = 0.0033898 k( 12) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033898 k( 13) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0033898 k( 14) = ( 0.1969697 0.1137205 -0.0000000), wk = 0.0033898 k( 15) = ( 0.2121212 0.1224682 -0.0000000), wk = 0.0033898 k( 16) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0033898 k( 17) = ( 0.2424242 0.1399637 -0.0000000), wk = 0.0033898 k( 18) = ( 0.2575758 0.1487114 -0.0000000), wk = 0.0033898 k( 19) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0033898 k( 20) = ( 0.2878788 0.1662069 -0.0000000), wk = 0.0033898 k( 21) = ( 0.3030303 0.1749546 -0.0000000), wk = 0.0033898 k( 22) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0033898 k( 23) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033898 k( 24) = ( 0.3484849 0.2011978 -0.0000000), wk = 0.0033898 k( 25) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0033898 k( 26) = ( 0.3787879 0.2186933 -0.0000000), wk = 0.0033898 k( 27) = ( 0.3939394 0.2274410 -0.0000000), wk = 0.0033898 k( 28) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0033898 k( 29) = ( 0.4242424 0.2449365 -0.0000000), wk = 0.0033898 k( 30) = ( 0.4393939 0.2536842 -0.0000000), wk = 0.0033898 k( 31) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0033898 k( 32) = ( 0.4696970 0.2711797 -0.0000000), wk = 0.0033898 k( 33) = ( 0.4848485 0.2799274 -0.0000000), wk = 0.0033898 k( 34) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 36) = ( 0.4912281 0.3038686 -0.0000000), wk = 0.0033898 k( 37) = ( 0.4824561 0.3190620 -0.0000000), wk = 0.0033898 k( 38) = ( 0.4736842 0.3342554 -0.0000000), wk = 0.0033898 k( 39) = ( 0.4649123 0.3494488 -0.0000000), wk = 0.0033898 k( 40) = ( 0.4561404 0.3646423 -0.0000000), wk = 0.0033898 k( 41) = ( 0.4473684 0.3798357 -0.0000000), wk = 0.0033898 k( 42) = ( 0.4385965 0.3950291 -0.0000000), wk = 0.0033898 k( 43) = ( 0.4298246 0.4102226 -0.0000000), wk = 0.0033898 k( 44) = ( 0.4210526 0.4254160 -0.0000000), wk = 0.0033898 k( 45) = ( 0.4122807 0.4406094 -0.0000000), wk = 0.0033898 k( 46) = ( 0.4035088 0.4558028 -0.0000000), wk = 0.0033898 k( 47) = ( 0.3947368 0.4709963 -0.0000000), wk = 0.0033898 k( 48) = ( 0.3859649 0.4861897 -0.0000000), wk = 0.0033898 k( 49) = ( 0.3771930 0.5013831 -0.0000000), wk = 0.0033898 k( 50) = ( 0.3684211 0.5165765 -0.0000000), wk = 0.0033898 k( 51) = ( 0.3596491 0.5317700 -0.0000000), wk = 0.0033898 k( 52) = ( 0.3508772 0.5469634 -0.0000000), wk = 0.0033898 k( 53) = ( 0.3421053 0.5621568 -0.0000000), wk = 0.0033898 k( 54) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 55) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 56) = ( 0.3243243 0.5617462 -0.0000000), wk = 0.0033898 k( 57) = ( 0.3153153 0.5461422 -0.0000000), wk = 0.0033898 k( 58) = ( 0.3063063 0.5305381 -0.0000000), wk = 0.0033898 k( 59) = ( 0.2972973 0.5149340 -0.0000000), wk = 0.0033898 k( 60) = ( 0.2882883 0.4993300 -0.0000000), wk = 0.0033898 k( 61) = ( 0.2792793 0.4837259 -0.0000000), wk = 0.0033898 k( 62) = ( 0.2702703 0.4681218 -0.0000000), wk = 0.0033898 k( 63) = ( 0.2612613 0.4525178 -0.0000000), wk = 0.0033898 k( 64) = ( 0.2522523 0.4369137 -0.0000000), wk = 0.0033898 k( 65) = ( 0.2432432 0.4213097 -0.0000000), wk = 0.0033898 k( 66) = ( 0.2342342 0.4057056 -0.0000000), wk = 0.0033898 k( 67) = ( 0.2252252 0.3901015 -0.0000000), wk = 0.0033898 k( 68) = ( 0.2162162 0.3744975 -0.0000000), wk = 0.0033898 k( 69) = ( 0.2072072 0.3588934 -0.0000000), wk = 0.0033898 k( 70) = ( 0.1981982 0.3432894 -0.0000000), wk = 0.0033898 k( 71) = ( 0.1891892 0.3276853 -0.0000000), wk = 0.0033898 k( 72) = ( 0.1801802 0.3120812 -0.0000000), wk = 0.0033898 k( 73) = ( 0.1711712 0.2964772 -0.0000000), wk = 0.0033898 k( 74) = ( 0.1621622 0.2808731 -0.0000000), wk = 0.0033898 k( 75) = ( 0.1531531 0.2652690 -0.0000000), wk = 0.0033898 k( 76) = ( 0.1441441 0.2496650 -0.0000000), wk = 0.0033898 k( 77) = ( 0.1351351 0.2340609 -0.0000000), wk = 0.0033898 k( 78) = ( 0.1261261 0.2184569 -0.0000000), wk = 0.0033898 k( 79) = ( 0.1171171 0.2028528 -0.0000000), wk = 0.0033898 k( 80) = ( 0.1081081 0.1872487 -0.0000000), wk = 0.0033898 k( 81) = ( 0.0990991 0.1716447 -0.0000000), wk = 0.0033898 k( 82) = ( 0.0900901 0.1560406 -0.0000000), wk = 0.0033898 k( 83) = ( 0.0810811 0.1404366 -0.0000000), wk = 0.0033898 k( 84) = ( 0.0720721 0.1248325 -0.0000000), wk = 0.0033898 k( 85) = ( 0.0630631 0.1092284 -0.0000000), wk = 0.0033898 k( 86) = ( 0.0540540 0.0936244 -0.0000000), wk = 0.0033898 k( 87) = ( 0.0450451 0.0780203 -0.0000000), wk = 0.0033898 k( 88) = ( 0.0360360 0.0624163 -0.0000000), wk = 0.0033898 k( 89) = ( 0.0270270 0.0468122 -0.0000000), wk = 0.0033898 k( 90) = ( 0.0180180 0.0312081 -0.0000000), wk = 0.0033898 k( 91) = ( 0.0090090 0.0156041 -0.0000000), wk = 0.0033898 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 94) = ( 0.0000000 0.0000000 0.0175447), wk = 0.0033898 k( 95) = ( 0.0000000 0.0000000 0.0350894), wk = 0.0033898 k( 96) = ( 0.0000000 0.0000000 0.0526340), wk = 0.0033898 k( 97) = ( 0.0000000 0.0000000 0.0701787), wk = 0.0033898 k( 98) = ( 0.0000000 0.0000000 0.0877234), wk = 0.0033898 k( 99) = ( 0.0000000 0.0000000 0.1052680), wk = 0.0033898 k( 100) = ( 0.0000000 0.0000000 0.1228127), wk = 0.0033898 k( 101) = ( 0.0000000 0.0000000 0.1403574), wk = 0.0033898 k( 102) = ( 0.0000000 0.0000000 0.1579021), wk = 0.0033898 k( 103) = ( 0.0000000 0.0000000 0.1754468), wk = 0.0033898 k( 104) = ( 0.0000000 0.0000000 0.1929914), wk = 0.0033898 k( 105) = ( 0.0000000 0.0000000 0.2105361), wk = 0.0033898 k( 106) = ( 0.0000000 0.0000000 0.2280808), wk = 0.0033898 k( 107) = ( 0.0000000 0.0000000 0.2456254), wk = 0.0033898 k( 108) = ( 0.0000000 0.0000000 0.2631701), wk = 0.0033898 k( 109) = ( 0.0000000 0.0000000 0.2807148), wk = 0.0033898 k( 110) = ( 0.0000000 0.0000000 0.2982595), wk = 0.0033898 k( 111) = ( 0.0000000 0.0000000 0.3158041), wk = 0.0033898 k( 112) = ( 0.0000000 0.0000000 0.3333488), wk = 0.0033898 k( 113) = ( 0.0000000 0.0000000 0.3508935), wk = 0.0033898 k( 114) = ( 0.0000000 0.0000000 0.3684382), wk = 0.0033898 k( 115) = ( 0.0000000 0.0000000 0.3859829), wk = 0.0033898 k( 116) = ( 0.0000000 0.0000000 0.4035275), wk = 0.0033898 k( 117) = ( 0.0000000 0.0000000 0.4210722), wk = 0.0033898 k( 118) = ( 0.0000000 0.0000000 0.4386169), wk = 0.0033898 k( 119) = ( 0.0000000 0.0000000 0.4561615), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.4737062), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.4912509), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.5087956), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.5263403), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.5438849), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.5614296), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.5789743), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.5965189), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.6140636), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.6316083), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.6316083), wk = 0.0033898 k( 131) = ( 0.0151515 0.0087477 0.6316083), wk = 0.0033898 k( 132) = ( 0.0303030 0.0174955 0.6316083), wk = 0.0033898 k( 133) = ( 0.0454546 0.0262432 0.6316083), wk = 0.0033898 k( 134) = ( 0.0606061 0.0349909 0.6316083), wk = 0.0033898 k( 135) = ( 0.0757576 0.0437387 0.6316083), wk = 0.0033898 k( 136) = ( 0.0909091 0.0524864 0.6316083), wk = 0.0033898 k( 137) = ( 0.1060606 0.0612341 0.6316083), wk = 0.0033898 k( 138) = ( 0.1212121 0.0699819 0.6316083), wk = 0.0033898 k( 139) = ( 0.1363636 0.0787296 0.6316083), wk = 0.0033898 k( 140) = ( 0.1515151 0.0874773 0.6316083), wk = 0.0033898 k( 141) = ( 0.1666667 0.0962250 0.6316083), wk = 0.0033898 k( 142) = ( 0.1818182 0.1049728 0.6316083), wk = 0.0033898 k( 143) = ( 0.1969697 0.1137205 0.6316083), wk = 0.0033898 k( 144) = ( 0.2121212 0.1224682 0.6316083), wk = 0.0033898 k( 145) = ( 0.2272727 0.1312160 0.6316083), wk = 0.0033898 k( 146) = ( 0.2424242 0.1399637 0.6316083), wk = 0.0033898 k( 147) = ( 0.2575758 0.1487114 0.6316083), wk = 0.0033898 k( 148) = ( 0.2727273 0.1574592 0.6316083), wk = 0.0033898 k( 149) = ( 0.2878788 0.1662069 0.6316083), wk = 0.0033898 k( 150) = ( 0.3030303 0.1749546 0.6316083), wk = 0.0033898 k( 151) = ( 0.3181818 0.1837024 0.6316083), wk = 0.0033898 k( 152) = ( 0.3333333 0.1924501 0.6316083), wk = 0.0033898 k( 153) = ( 0.3484849 0.2011978 0.6316083), wk = 0.0033898 k( 154) = ( 0.3636364 0.2099456 0.6316083), wk = 0.0033898 k( 155) = ( 0.3787879 0.2186933 0.6316083), wk = 0.0033898 k( 156) = ( 0.3939394 0.2274410 0.6316083), wk = 0.0033898 k( 157) = ( 0.4090909 0.2361887 0.6316083), wk = 0.0033898 k( 158) = ( 0.4242424 0.2449365 0.6316083), wk = 0.0033898 k( 159) = ( 0.4393939 0.2536842 0.6316083), wk = 0.0033898 k( 160) = ( 0.4545455 0.2624319 0.6316083), wk = 0.0033898 k( 161) = ( 0.4696970 0.2711797 0.6316083), wk = 0.0033898 k( 162) = ( 0.4848485 0.2799274 0.6316083), wk = 0.0033898 k( 163) = ( 0.5000000 0.2886751 0.6316083), wk = 0.0033898 k( 164) = ( 0.5000000 0.2886751 0.6316083), wk = 0.0033898 k( 165) = ( 0.4912281 0.3038686 0.6316083), wk = 0.0033898 k( 166) = ( 0.4824561 0.3190620 0.6316083), wk = 0.0033898 k( 167) = ( 0.4736842 0.3342554 0.6316083), wk = 0.0033898 k( 168) = ( 0.4649123 0.3494488 0.6316083), wk = 0.0033898 k( 169) = ( 0.4561404 0.3646423 0.6316083), wk = 0.0033898 k( 170) = ( 0.4473684 0.3798357 0.6316083), wk = 0.0033898 k( 171) = ( 0.4385965 0.3950291 0.6316083), wk = 0.0033898 k( 172) = ( 0.4298246 0.4102226 0.6316083), wk = 0.0033898 k( 173) = ( 0.4210526 0.4254160 0.6316083), wk = 0.0033898 k( 174) = ( 0.4122807 0.4406094 0.6316083), wk = 0.0033898 k( 175) = ( 0.4035088 0.4558028 0.6316083), wk = 0.0033898 k( 176) = ( 0.3947368 0.4709963 0.6316083), wk = 0.0033898 k( 177) = ( 0.3859649 0.4861897 0.6316083), wk = 0.0033898 k( 178) = ( 0.3771930 0.5013831 0.6316083), wk = 0.0033898 k( 179) = ( 0.3684211 0.5165765 0.6316083), wk = 0.0033898 k( 180) = ( 0.3596491 0.5317700 0.6316083), wk = 0.0033898 k( 181) = ( 0.3508772 0.5469634 0.6316083), wk = 0.0033898 k( 182) = ( 0.3421053 0.5621568 0.6316083), wk = 0.0033898 k( 183) = ( 0.3333333 0.5773503 0.6316083), wk = 0.0033898 k( 184) = ( 0.3333333 0.5773503 0.6316083), wk = 0.0033898 k( 185) = ( 0.3243243 0.5617462 0.6316083), wk = 0.0033898 k( 186) = ( 0.3153153 0.5461422 0.6316083), wk = 0.0033898 k( 187) = ( 0.3063063 0.5305381 0.6316083), wk = 0.0033898 k( 188) = ( 0.2972973 0.5149340 0.6316083), wk = 0.0033898 k( 189) = ( 0.2882883 0.4993300 0.6316083), wk = 0.0033898 k( 190) = ( 0.2792793 0.4837259 0.6316083), wk = 0.0033898 k( 191) = ( 0.2702703 0.4681218 0.6316083), wk = 0.0033898 k( 192) = ( 0.2612613 0.4525178 0.6316083), wk = 0.0033898 k( 193) = ( 0.2522523 0.4369137 0.6316083), wk = 0.0033898 k( 194) = ( 0.2432432 0.4213097 0.6316083), wk = 0.0033898 k( 195) = ( 0.2342342 0.4057056 0.6316083), wk = 0.0033898 k( 196) = ( 0.2252252 0.3901015 0.6316083), wk = 0.0033898 k( 197) = ( 0.2162162 0.3744975 0.6316083), wk = 0.0033898 k( 198) = ( 0.2072072 0.3588934 0.6316083), wk = 0.0033898 k( 199) = ( 0.1981982 0.3432894 0.6316083), wk = 0.0033898 k( 200) = ( 0.1891892 0.3276853 0.6316083), wk = 0.0033898 k( 201) = ( 0.1801802 0.3120812 0.6316083), wk = 0.0033898 k( 202) = ( 0.1711712 0.2964772 0.6316083), wk = 0.0033898 k( 203) = ( 0.1621622 0.2808731 0.6316083), wk = 0.0033898 k( 204) = ( 0.1531531 0.2652690 0.6316083), wk = 0.0033898 k( 205) = ( 0.1441441 0.2496650 0.6316083), wk = 0.0033898 k( 206) = ( 0.1351351 0.2340609 0.6316083), wk = 0.0033898 k( 207) = ( 0.1261261 0.2184569 0.6316083), wk = 0.0033898 k( 208) = ( 0.1171171 0.2028528 0.6316083), wk = 0.0033898 k( 209) = ( 0.1081081 0.1872487 0.6316083), wk = 0.0033898 k( 210) = ( 0.0990991 0.1716447 0.6316083), wk = 0.0033898 k( 211) = ( 0.0900901 0.1560406 0.6316083), wk = 0.0033898 k( 212) = ( 0.0810811 0.1404366 0.6316083), wk = 0.0033898 k( 213) = ( 0.0720721 0.1248325 0.6316083), wk = 0.0033898 k( 214) = ( 0.0630631 0.1092284 0.6316083), wk = 0.0033898 k( 215) = ( 0.0540540 0.0936244 0.6316083), wk = 0.0033898 k( 216) = ( 0.0450451 0.0780203 0.6316083), wk = 0.0033898 k( 217) = ( 0.0360360 0.0624163 0.6316083), wk = 0.0033898 k( 218) = ( 0.0270270 0.0468122 0.6316083), wk = 0.0033898 k( 219) = ( 0.0180180 0.0312081 0.6316083), wk = 0.0033898 k( 220) = ( 0.0090090 0.0156041 0.6316083), wk = 0.0033898 k( 221) = ( 0.0000000 0.0000000 0.6316083), wk = 0.0033898 k( 222) = ( 0.5000000 0.2886751 0.6316083), wk = 0.0033898 k( 223) = ( 0.5000000 0.2886751 0.6140636), wk = 0.0033898 k( 224) = ( 0.5000000 0.2886751 0.5965189), wk = 0.0033898 k( 225) = ( 0.5000000 0.2886751 0.5789743), wk = 0.0033898 k( 226) = ( 0.5000000 0.2886751 0.5614296), wk = 0.0033898 k( 227) = ( 0.5000000 0.2886751 0.5438849), wk = 0.0033898 k( 228) = ( 0.5000000 0.2886751 0.5263403), wk = 0.0033898 k( 229) = ( 0.5000000 0.2886751 0.5087956), wk = 0.0033898 k( 230) = ( 0.5000000 0.2886751 0.4912509), wk = 0.0033898 k( 231) = ( 0.5000000 0.2886751 0.4737062), wk = 0.0033898 k( 232) = ( 0.5000000 0.2886751 0.4561615), wk = 0.0033898 k( 233) = ( 0.5000000 0.2886751 0.4386169), wk = 0.0033898 k( 234) = ( 0.5000000 0.2886751 0.4210722), wk = 0.0033898 k( 235) = ( 0.5000000 0.2886751 0.4035275), wk = 0.0033898 k( 236) = ( 0.5000000 0.2886751 0.3859829), wk = 0.0033898 k( 237) = ( 0.5000000 0.2886751 0.3684382), wk = 0.0033898 k( 238) = ( 0.5000000 0.2886751 0.3508935), wk = 0.0033898 k( 239) = ( 0.5000000 0.2886751 0.3333488), wk = 0.0033898 k( 240) = ( 0.5000000 0.2886751 0.3158041), wk = 0.0033898 k( 241) = ( 0.5000000 0.2886751 0.2982595), wk = 0.0033898 k( 242) = ( 0.5000000 0.2886751 0.2807148), wk = 0.0033898 k( 243) = ( 0.5000000 0.2886751 0.2631701), wk = 0.0033898 k( 244) = ( 0.5000000 0.2886751 0.2456254), wk = 0.0033898 k( 245) = ( 0.5000000 0.2886751 0.2280808), wk = 0.0033898 k( 246) = ( 0.5000000 0.2886751 0.2105361), wk = 0.0033898 k( 247) = ( 0.5000000 0.2886751 0.1929914), wk = 0.0033898 k( 248) = ( 0.5000000 0.2886751 0.1754468), wk = 0.0033898 k( 249) = ( 0.5000000 0.2886751 0.1579021), wk = 0.0033898 k( 250) = ( 0.5000000 0.2886751 0.1403574), wk = 0.0033898 k( 251) = ( 0.5000000 0.2886751 0.1228127), wk = 0.0033898 k( 252) = ( 0.5000000 0.2886751 0.1052680), wk = 0.0033898 k( 253) = ( 0.5000000 0.2886751 0.0877234), wk = 0.0033898 k( 254) = ( 0.5000000 0.2886751 0.0701787), wk = 0.0033898 k( 255) = ( 0.5000000 0.2886751 0.0526340), wk = 0.0033898 k( 256) = ( 0.5000000 0.2886751 0.0350894), wk = 0.0033898 k( 257) = ( 0.5000000 0.2886751 0.0175447), wk = 0.0033898 k( 258) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 259) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 260) = ( 0.3333333 0.5773503 0.0175447), wk = 0.0033898 k( 261) = ( 0.3333333 0.5773503 0.0350894), wk = 0.0033898 k( 262) = ( 0.3333333 0.5773503 0.0526340), wk = 0.0033898 k( 263) = ( 0.3333333 0.5773503 0.0701787), wk = 0.0033898 k( 264) = ( 0.3333333 0.5773503 0.0877234), wk = 0.0033898 k( 265) = ( 0.3333333 0.5773503 0.1052680), wk = 0.0033898 k( 266) = ( 0.3333333 0.5773503 0.1228127), wk = 0.0033898 k( 267) = ( 0.3333333 0.5773503 0.1403574), wk = 0.0033898 k( 268) = ( 0.3333333 0.5773503 0.1579021), wk = 0.0033898 k( 269) = ( 0.3333333 0.5773503 0.1754468), wk = 0.0033898 k( 270) = ( 0.3333333 0.5773503 0.1929914), wk = 0.0033898 k( 271) = ( 0.3333333 0.5773503 0.2105361), wk = 0.0033898 k( 272) = ( 0.3333333 0.5773503 0.2280808), wk = 0.0033898 k( 273) = ( 0.3333333 0.5773503 0.2456254), wk = 0.0033898 k( 274) = ( 0.3333333 0.5773503 0.2631701), wk = 0.0033898 k( 275) = ( 0.3333333 0.5773503 0.2807148), wk = 0.0033898 k( 276) = ( 0.3333333 0.5773503 0.2982595), wk = 0.0033898 k( 277) = ( 0.3333333 0.5773503 0.3158041), wk = 0.0033898 k( 278) = ( 0.3333333 0.5773503 0.3333488), wk = 0.0033898 k( 279) = ( 0.3333333 0.5773503 0.3508935), wk = 0.0033898 k( 280) = ( 0.3333333 0.5773503 0.3684382), wk = 0.0033898 k( 281) = ( 0.3333333 0.5773503 0.3859829), wk = 0.0033898 k( 282) = ( 0.3333333 0.5773503 0.4035275), wk = 0.0033898 k( 283) = ( 0.3333333 0.5773503 0.4210722), wk = 0.0033898 k( 284) = ( 0.3333333 0.5773503 0.4386169), wk = 0.0033898 k( 285) = ( 0.3333333 0.5773503 0.4561615), wk = 0.0033898 k( 286) = ( 0.3333333 0.5773503 0.4737062), wk = 0.0033898 k( 287) = ( 0.3333333 0.5773503 0.4912509), wk = 0.0033898 k( 288) = ( 0.3333333 0.5773503 0.5087956), wk = 0.0033898 k( 289) = ( 0.3333333 0.5773503 0.5263403), wk = 0.0033898 k( 290) = ( 0.3333333 0.5773503 0.5438849), wk = 0.0033898 k( 291) = ( 0.3333333 0.5773503 0.5614296), wk = 0.0033898 k( 292) = ( 0.3333333 0.5773503 0.5789743), wk = 0.0033898 k( 293) = ( 0.3333333 0.5773503 0.5965189), wk = 0.0033898 k( 294) = ( 0.3333333 0.5773503 0.6140636), wk = 0.0033898 k( 295) = ( 0.3333333 0.5773503 0.6316083), wk = 0.0033898 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0151515 0.0000000 0.0000000), wk = 0.0033898 k( 3) = ( 0.0303030 0.0000000 0.0000000), wk = 0.0033898 k( 4) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0033898 k( 5) = ( 0.0606061 0.0000000 0.0000000), wk = 0.0033898 k( 6) = ( 0.0757576 0.0000000 0.0000000), wk = 0.0033898 k( 7) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0033898 k( 8) = ( 0.1060606 0.0000000 0.0000000), wk = 0.0033898 k( 9) = ( 0.1212121 0.0000000 0.0000000), wk = 0.0033898 k( 10) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0033898 k( 11) = ( 0.1515151 0.0000000 0.0000000), wk = 0.0033898 k( 12) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0033898 k( 13) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0033898 k( 14) = ( 0.1969697 0.0000000 -0.0000000), wk = 0.0033898 k( 15) = ( 0.2121212 0.0000000 0.0000000), wk = 0.0033898 k( 16) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0033898 k( 17) = ( 0.2424242 0.0000000 0.0000000), wk = 0.0033898 k( 18) = ( 0.2575758 0.0000000 0.0000000), wk = 0.0033898 k( 19) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0033898 k( 20) = ( 0.2878788 0.0000000 0.0000000), wk = 0.0033898 k( 21) = ( 0.3030303 0.0000000 0.0000000), wk = 0.0033898 k( 22) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0033898 k( 23) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0033898 k( 24) = ( 0.3484849 0.0000000 0.0000000), wk = 0.0033898 k( 25) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0033898 k( 26) = ( 0.3787879 0.0000000 0.0000000), wk = 0.0033898 k( 27) = ( 0.3939394 0.0000000 0.0000000), wk = 0.0033898 k( 28) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0033898 k( 29) = ( 0.4242424 0.0000000 0.0000000), wk = 0.0033898 k( 30) = ( 0.4393939 0.0000000 0.0000000), wk = 0.0033898 k( 31) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0033898 k( 32) = ( 0.4696970 0.0000000 0.0000000), wk = 0.0033898 k( 33) = ( 0.4848485 0.0000000 0.0000000), wk = 0.0033898 k( 34) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033898 k( 35) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033898 k( 36) = ( 0.4912281 0.0175439 0.0000000), wk = 0.0033898 k( 37) = ( 0.4824561 0.0350877 0.0000000), wk = 0.0033898 k( 38) = ( 0.4736842 0.0526316 0.0000000), wk = 0.0033898 k( 39) = ( 0.4649123 0.0701754 0.0000000), wk = 0.0033898 k( 40) = ( 0.4561404 0.0877193 0.0000000), wk = 0.0033898 k( 41) = ( 0.4473684 0.1052632 0.0000000), wk = 0.0033898 k( 42) = ( 0.4385965 0.1228070 -0.0000000), wk = 0.0033898 k( 43) = ( 0.4298246 0.1403509 0.0000000), wk = 0.0033898 k( 44) = ( 0.4210526 0.1578947 0.0000000), wk = 0.0033898 k( 45) = ( 0.4122807 0.1754386 0.0000000), wk = 0.0033898 k( 46) = ( 0.4035088 0.1929825 0.0000000), wk = 0.0033898 k( 47) = ( 0.3947368 0.2105263 -0.0000000), wk = 0.0033898 k( 48) = ( 0.3859649 0.2280702 0.0000000), wk = 0.0033898 k( 49) = ( 0.3771930 0.2456140 -0.0000000), wk = 0.0033898 k( 50) = ( 0.3684211 0.2631579 -0.0000000), wk = 0.0033898 k( 51) = ( 0.3596491 0.2807018 0.0000000), wk = 0.0033898 k( 52) = ( 0.3508772 0.2982456 -0.0000000), wk = 0.0033898 k( 53) = ( 0.3421053 0.3157895 -0.0000000), wk = 0.0033898 k( 54) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033898 k( 55) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033898 k( 56) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0033898 k( 57) = ( 0.3153153 0.3153153 0.0000000), wk = 0.0033898 k( 58) = ( 0.3063063 0.3063063 -0.0000000), wk = 0.0033898 k( 59) = ( 0.2972973 0.2972973 0.0000000), wk = 0.0033898 k( 60) = ( 0.2882883 0.2882883 0.0000000), wk = 0.0033898 k( 61) = ( 0.2792793 0.2792793 0.0000000), wk = 0.0033898 k( 62) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0033898 k( 63) = ( 0.2612613 0.2612613 -0.0000000), wk = 0.0033898 k( 64) = ( 0.2522523 0.2522523 0.0000000), wk = 0.0033898 k( 65) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0033898 k( 66) = ( 0.2342342 0.2342342 0.0000000), wk = 0.0033898 k( 67) = ( 0.2252252 0.2252252 -0.0000000), wk = 0.0033898 k( 68) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0033898 k( 69) = ( 0.2072072 0.2072072 0.0000000), wk = 0.0033898 k( 70) = ( 0.1981982 0.1981982 -0.0000000), wk = 0.0033898 k( 71) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0033898 k( 72) = ( 0.1801802 0.1801802 -0.0000000), wk = 0.0033898 k( 73) = ( 0.1711712 0.1711712 -0.0000000), wk = 0.0033898 k( 74) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0033898 k( 75) = ( 0.1531531 0.1531531 -0.0000000), wk = 0.0033898 k( 76) = ( 0.1441441 0.1441441 0.0000000), wk = 0.0033898 k( 77) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0033898 k( 78) = ( 0.1261261 0.1261261 0.0000000), wk = 0.0033898 k( 79) = ( 0.1171171 0.1171171 -0.0000000), wk = 0.0033898 k( 80) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0033898 k( 81) = ( 0.0990991 0.0990991 -0.0000000), wk = 0.0033898 k( 82) = ( 0.0900901 0.0900901 -0.0000000), wk = 0.0033898 k( 83) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0033898 k( 84) = ( 0.0720721 0.0720721 0.0000000), wk = 0.0033898 k( 85) = ( 0.0630631 0.0630631 -0.0000000), wk = 0.0033898 k( 86) = ( 0.0540540 0.0540540 -0.0000000), wk = 0.0033898 k( 87) = ( 0.0450451 0.0450450 0.0000000), wk = 0.0033898 k( 88) = ( 0.0360360 0.0360360 0.0000000), wk = 0.0033898 k( 89) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0033898 k( 90) = ( 0.0180180 0.0180180 0.0000000), wk = 0.0033898 k( 91) = ( 0.0090090 0.0090090 0.0000000), wk = 0.0033898 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 94) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0033898 k( 95) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0033898 k( 96) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0033898 k( 97) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033898 k( 98) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0033898 k( 99) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033898 k( 100) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0033898 k( 101) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033898 k( 102) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033898 k( 103) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0033898 k( 104) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0033898 k( 105) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033898 k( 106) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0033898 k( 107) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0033898 k( 108) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0033898 k( 109) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033898 k( 110) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0033898 k( 111) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033898 k( 112) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0033898 k( 113) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033898 k( 114) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0033898 k( 115) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0033898 k( 116) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0033898 k( 117) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033898 k( 118) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0033898 k( 119) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 131) = ( 0.0151515 0.0000000 0.5000000), wk = 0.0033898 k( 132) = ( 0.0303030 0.0000000 0.5000000), wk = 0.0033898 k( 133) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0033898 k( 134) = ( 0.0606061 0.0000000 0.5000000), wk = 0.0033898 k( 135) = ( 0.0757576 0.0000000 0.5000000), wk = 0.0033898 k( 136) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0033898 k( 137) = ( 0.1060606 0.0000000 0.5000000), wk = 0.0033898 k( 138) = ( 0.1212121 0.0000000 0.5000000), wk = 0.0033898 k( 139) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0033898 k( 140) = ( 0.1515151 0.0000000 0.5000000), wk = 0.0033898 k( 141) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0033898 k( 142) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0033898 k( 143) = ( 0.1969697 0.0000000 0.5000000), wk = 0.0033898 k( 144) = ( 0.2121212 0.0000000 0.5000000), wk = 0.0033898 k( 145) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0033898 k( 146) = ( 0.2424242 0.0000000 0.5000000), wk = 0.0033898 k( 147) = ( 0.2575758 0.0000000 0.5000000), wk = 0.0033898 k( 148) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0033898 k( 149) = ( 0.2878788 0.0000000 0.5000000), wk = 0.0033898 k( 150) = ( 0.3030303 0.0000000 0.5000000), wk = 0.0033898 k( 151) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0033898 k( 152) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0033898 k( 153) = ( 0.3484849 0.0000000 0.5000000), wk = 0.0033898 k( 154) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0033898 k( 155) = ( 0.3787879 0.0000000 0.5000000), wk = 0.0033898 k( 156) = ( 0.3939394 0.0000000 0.5000000), wk = 0.0033898 k( 157) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0033898 k( 158) = ( 0.4242424 0.0000000 0.5000000), wk = 0.0033898 k( 159) = ( 0.4393939 0.0000000 0.5000000), wk = 0.0033898 k( 160) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0033898 k( 161) = ( 0.4696970 0.0000000 0.5000000), wk = 0.0033898 k( 162) = ( 0.4848485 0.0000000 0.5000000), wk = 0.0033898 k( 163) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033898 k( 164) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033898 k( 165) = ( 0.4912281 0.0175439 0.5000000), wk = 0.0033898 k( 166) = ( 0.4824561 0.0350877 0.5000000), wk = 0.0033898 k( 167) = ( 0.4736842 0.0526316 0.5000000), wk = 0.0033898 k( 168) = ( 0.4649123 0.0701754 0.5000000), wk = 0.0033898 k( 169) = ( 0.4561404 0.0877193 0.5000000), wk = 0.0033898 k( 170) = ( 0.4473684 0.1052632 0.5000000), wk = 0.0033898 k( 171) = ( 0.4385965 0.1228070 0.5000000), wk = 0.0033898 k( 172) = ( 0.4298246 0.1403509 0.5000000), wk = 0.0033898 k( 173) = ( 0.4210526 0.1578947 0.5000000), wk = 0.0033898 k( 174) = ( 0.4122807 0.1754386 0.5000000), wk = 0.0033898 k( 175) = ( 0.4035088 0.1929825 0.5000000), wk = 0.0033898 k( 176) = ( 0.3947368 0.2105263 0.5000000), wk = 0.0033898 k( 177) = ( 0.3859649 0.2280702 0.5000000), wk = 0.0033898 k( 178) = ( 0.3771930 0.2456140 0.5000000), wk = 0.0033898 k( 179) = ( 0.3684211 0.2631579 0.5000000), wk = 0.0033898 k( 180) = ( 0.3596491 0.2807018 0.5000000), wk = 0.0033898 k( 181) = ( 0.3508772 0.2982456 0.5000000), wk = 0.0033898 k( 182) = ( 0.3421053 0.3157895 0.5000000), wk = 0.0033898 k( 183) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 k( 184) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 k( 185) = ( 0.3243243 0.3243243 0.5000000), wk = 0.0033898 k( 186) = ( 0.3153153 0.3153153 0.5000000), wk = 0.0033898 k( 187) = ( 0.3063063 0.3063063 0.5000000), wk = 0.0033898 k( 188) = ( 0.2972973 0.2972973 0.5000000), wk = 0.0033898 k( 189) = ( 0.2882883 0.2882883 0.5000000), wk = 0.0033898 k( 190) = ( 0.2792793 0.2792793 0.5000000), wk = 0.0033898 k( 191) = ( 0.2702703 0.2702703 0.5000000), wk = 0.0033898 k( 192) = ( 0.2612613 0.2612613 0.5000000), wk = 0.0033898 k( 193) = ( 0.2522523 0.2522523 0.5000000), wk = 0.0033898 k( 194) = ( 0.2432432 0.2432432 0.5000000), wk = 0.0033898 k( 195) = ( 0.2342342 0.2342342 0.5000000), wk = 0.0033898 k( 196) = ( 0.2252252 0.2252252 0.5000000), wk = 0.0033898 k( 197) = ( 0.2162162 0.2162162 0.5000000), wk = 0.0033898 k( 198) = ( 0.2072072 0.2072072 0.5000000), wk = 0.0033898 k( 199) = ( 0.1981982 0.1981982 0.5000000), wk = 0.0033898 k( 200) = ( 0.1891892 0.1891892 0.5000000), wk = 0.0033898 k( 201) = ( 0.1801802 0.1801802 0.5000000), wk = 0.0033898 k( 202) = ( 0.1711712 0.1711712 0.5000000), wk = 0.0033898 k( 203) = ( 0.1621622 0.1621622 0.5000000), wk = 0.0033898 k( 204) = ( 0.1531531 0.1531531 0.5000000), wk = 0.0033898 k( 205) = ( 0.1441441 0.1441441 0.5000000), wk = 0.0033898 k( 206) = ( 0.1351351 0.1351351 0.5000000), wk = 0.0033898 k( 207) = ( 0.1261261 0.1261261 0.5000000), wk = 0.0033898 k( 208) = ( 0.1171171 0.1171171 0.5000000), wk = 0.0033898 k( 209) = ( 0.1081081 0.1081081 0.5000000), wk = 0.0033898 k( 210) = ( 0.0990991 0.0990991 0.5000000), wk = 0.0033898 k( 211) = ( 0.0900901 0.0900901 0.5000000), wk = 0.0033898 k( 212) = ( 0.0810811 0.0810811 0.5000000), wk = 0.0033898 k( 213) = ( 0.0720721 0.0720721 0.5000000), wk = 0.0033898 k( 214) = ( 0.0630631 0.0630631 0.5000000), wk = 0.0033898 k( 215) = ( 0.0540540 0.0540540 0.5000000), wk = 0.0033898 k( 216) = ( 0.0450451 0.0450450 0.5000000), wk = 0.0033898 k( 217) = ( 0.0360360 0.0360360 0.5000000), wk = 0.0033898 k( 218) = ( 0.0270270 0.0270270 0.5000000), wk = 0.0033898 k( 219) = ( 0.0180180 0.0180180 0.5000000), wk = 0.0033898 k( 220) = ( 0.0090090 0.0090090 0.5000000), wk = 0.0033898 k( 221) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 222) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033898 k( 223) = ( 0.5000000 0.0000000 0.4861111), wk = 0.0033898 k( 224) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0033898 k( 225) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0033898 k( 226) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0033898 k( 227) = ( 0.5000000 0.0000000 0.4305556), wk = 0.0033898 k( 228) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033898 k( 229) = ( 0.5000000 0.0000000 0.4027778), wk = 0.0033898 k( 230) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0033898 k( 231) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0033898 k( 232) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0033898 k( 233) = ( 0.5000000 0.0000000 0.3472222), wk = 0.0033898 k( 234) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033898 k( 235) = ( 0.5000000 0.0000000 0.3194444), wk = 0.0033898 k( 236) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0033898 k( 237) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0033898 k( 238) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0033898 k( 239) = ( 0.5000000 0.0000000 0.2638889), wk = 0.0033898 k( 240) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033898 k( 241) = ( 0.5000000 0.0000000 0.2361111), wk = 0.0033898 k( 242) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0033898 k( 243) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0033898 k( 244) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0033898 k( 245) = ( 0.5000000 0.0000000 0.1805556), wk = 0.0033898 k( 246) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033898 k( 247) = ( 0.5000000 0.0000000 0.1527778), wk = 0.0033898 k( 248) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0033898 k( 249) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0033898 k( 250) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0033898 k( 251) = ( 0.5000000 0.0000000 0.0972222), wk = 0.0033898 k( 252) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033898 k( 253) = ( 0.5000000 0.0000000 0.0694444), wk = 0.0033898 k( 254) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0033898 k( 255) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0033898 k( 256) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0033898 k( 257) = ( 0.5000000 0.0000000 0.0138889), wk = 0.0033898 k( 258) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033898 k( 259) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033898 k( 260) = ( 0.3333333 0.3333333 0.0138889), wk = 0.0033898 k( 261) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0033898 k( 262) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0033898 k( 263) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0033898 k( 264) = ( 0.3333333 0.3333333 0.0694444), wk = 0.0033898 k( 265) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033898 k( 266) = ( 0.3333333 0.3333333 0.0972222), wk = 0.0033898 k( 267) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0033898 k( 268) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033898 k( 269) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0033898 k( 270) = ( 0.3333333 0.3333333 0.1527778), wk = 0.0033898 k( 271) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033898 k( 272) = ( 0.3333333 0.3333333 0.1805556), wk = 0.0033898 k( 273) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0033898 k( 274) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0033898 k( 275) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0033898 k( 276) = ( 0.3333333 0.3333333 0.2361111), wk = 0.0033898 k( 277) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033898 k( 278) = ( 0.3333333 0.3333333 0.2638889), wk = 0.0033898 k( 279) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0033898 k( 280) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0033898 k( 281) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0033898 k( 282) = ( 0.3333333 0.3333333 0.3194444), wk = 0.0033898 k( 283) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033898 k( 284) = ( 0.3333333 0.3333333 0.3472222), wk = 0.0033898 k( 285) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0033898 k( 286) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033898 k( 287) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0033898 k( 288) = ( 0.3333333 0.3333333 0.4027778), wk = 0.0033898 k( 289) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033898 k( 290) = ( 0.3333333 0.3333333 0.4305556), wk = 0.0033898 k( 291) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0033898 k( 292) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0033898 k( 293) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0033898 k( 294) = ( 0.3333333 0.3333333 0.4861111), wk = 0.0033898 k( 295) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 Dense grid: 123925 G-vectors FFT dimensions: ( 72, 72, 60) Smooth grid: 30839 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 228, 76) NL pseudopotentials 0.35 Mb ( 114, 204) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3442) G-vector shells 0.01 Mb ( 1604) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.06 Mb ( 228, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.47 Mb ( 204, 2, 76) The potential is recalculated from file : ./KAu5.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 10.2 secs Computing kpt #: 7 total cpu time spent up to now is 11.7 secs Computing kpt #: 8 total cpu time spent up to now is 13.3 secs Computing kpt #: 9 total cpu time spent up to now is 15.0 secs Computing kpt #: 10 total cpu time spent up to now is 18.5 secs Computing kpt #: 11 total cpu time spent up to now is 19.8 secs Computing kpt #: 12 total cpu time spent up to now is 21.1 secs Computing kpt #: 13 total cpu time spent up to now is 22.2 secs Computing kpt #: 14 total cpu time spent up to now is 23.3 secs Computing kpt #: 15 total cpu time spent up to now is 24.3 secs Computing kpt #: 16 total cpu time spent up to now is 25.4 secs Computing kpt #: 17 total cpu time spent up to now is 26.5 secs Computing kpt #: 18 total cpu time spent up to now is 27.6 secs Computing kpt #: 19 total cpu time spent up to now is 28.8 secs Computing kpt #: 20 total cpu time spent up to now is 29.9 secs Computing kpt #: 21 total cpu time spent up to now is 31.0 secs Computing kpt #: 22 total cpu time spent up to now is 33.2 secs Computing kpt #: 23 total cpu time spent up to now is 34.4 secs Computing kpt #: 24 total cpu time spent up to now is 35.5 secs Computing kpt #: 25 total cpu time spent up to now is 36.6 secs Computing kpt #: 26 total cpu time spent up to now is 37.8 secs Computing kpt #: 27 total cpu time spent up to now is 38.9 secs Computing kpt #: 28 total cpu time spent up to now is 40.0 secs Computing kpt #: 29 total cpu time spent up to now is 41.2 secs Computing kpt #: 30 total cpu time spent up to now is 42.3 secs Computing kpt #: 31 total cpu time spent up to now is 43.5 secs Computing kpt #: 32 total cpu time spent up to now is 44.6 secs Computing kpt #: 33 total cpu time spent up to now is 45.8 secs Computing kpt #: 34 total cpu time spent up to now is 46.9 secs Computing kpt #: 35 total cpu time spent up to now is 48.0 secs Computing kpt #: 36 total cpu time spent up to now is 49.1 secs Computing kpt #: 37 total cpu time spent up to now is 50.2 secs Computing kpt #: 38 total cpu time spent up to now is 51.3 secs Computing kpt #: 39 total cpu time spent up to now is 52.7 secs Computing kpt #: 40 total cpu time spent up to now is 53.8 secs Computing kpt #: 41 total cpu time spent up to now is 54.9 secs Computing kpt #: 42 total cpu time spent up to now is 56.0 secs Computing kpt #: 43 total cpu time spent up to now is 57.1 secs Computing kpt #: 44 total cpu time spent up to now is 58.2 secs Computing kpt #: 45 total cpu time spent up to now is 59.3 secs Computing kpt #: 46 total cpu time spent up to now is 60.4 secs Computing kpt #: 47 total cpu time spent up to now is 61.4 secs Computing kpt #: 48 total cpu time spent up to now is 62.5 secs Computing kpt #: 49 total cpu time spent up to now is 63.5 secs Computing kpt #: 50 total cpu time spent up to now is 64.6 secs Computing kpt #: 51 total cpu time spent up to now is 66.0 secs Computing kpt #: 52 total cpu time spent up to now is 67.4 secs Computing kpt #: 53 total cpu time spent up to now is 68.4 secs Computing kpt #: 54 total cpu time spent up to now is 69.4 secs Computing kpt #: 55 total cpu time spent up to now is 70.5 secs Computing kpt #: 56 total cpu time spent up to now is 72.1 secs Computing kpt #: 57 total cpu time spent up to now is 73.5 secs Computing kpt #: 58 total cpu time spent up to now is 74.8 secs Computing kpt #: 59 total cpu time spent up to now is 76.2 secs Computing kpt #: 60 total cpu time spent up to now is 77.3 secs Computing kpt #: 61 total cpu time spent up to now is 78.5 secs Computing kpt #: 62 total cpu time spent up to now is 79.6 secs Computing kpt #: 63 total cpu time spent up to now is 80.7 secs Computing kpt #: 64 total cpu time spent up to now is 81.9 secs Computing kpt #: 65 total cpu time spent up to now is 83.1 secs Computing kpt #: 66 total cpu time spent up to now is 84.2 secs Computing kpt #: 67 total cpu time spent up to now is 85.4 secs Computing kpt #: 68 total cpu time spent up to now is 86.6 secs Computing kpt #: 69 total cpu time spent up to now is 87.8 secs Computing kpt #: 70 total cpu time spent up to now is 89.1 secs Computing kpt #: 71 total cpu time spent up to now is 90.3 secs Computing kpt #: 72 total cpu time spent up to now is 91.5 secs Computing kpt #: 73 total cpu time spent up to now is 92.9 secs Computing kpt #: 74 total cpu time spent up to now is 94.5 secs Computing kpt #: 75 total cpu time spent up to now is 95.8 secs Computing kpt #: 76 total cpu time spent up to now is 97.0 secs Computing kpt #: 77 total cpu time spent up to now is 98.1 secs Computing kpt #: 78 total cpu time spent up to now is 99.2 secs Computing kpt #: 79 total cpu time spent up to now is 100.4 secs Computing kpt #: 80 total cpu time spent up to now is 101.5 secs Computing kpt #: 81 total cpu time spent up to now is 102.6 secs Computing kpt #: 82 total cpu time spent up to now is 103.9 secs Computing kpt #: 83 total cpu time spent up to now is 105.2 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.6 secs Computing kpt #: 85 total cpu time spent up to now is 109.3 secs Computing kpt #: 86 total cpu time spent up to now is 110.8 secs Computing kpt #: 87 total cpu time spent up to now is 112.1 secs Computing kpt #: 88 total cpu time spent up to now is 113.4 secs Computing kpt #: 89 total cpu time spent up to now is 114.8 secs Computing kpt #: 90 total cpu time spent up to now is 116.0 secs Computing kpt #: 91 total cpu time spent up to now is 117.3 secs Computing kpt #: 92 total cpu time spent up to now is 118.6 secs Computing kpt #: 93 total cpu time spent up to now is 119.9 secs Computing kpt #: 94 total cpu time spent up to now is 121.1 secs Computing kpt #: 95 total cpu time spent up to now is 122.4 secs Computing kpt #: 96 total cpu time spent up to now is 123.8 secs Computing kpt #: 97 total cpu time spent up to now is 125.1 secs Computing kpt #: 98 total cpu time spent up to now is 126.7 secs Computing kpt #: 99 total cpu time spent up to now is 128.8 secs Computing kpt #: 100 total cpu time spent up to now is 130.7 secs Computing kpt #: 101 total cpu time spent up to now is 132.5 secs Computing kpt #: 102 total cpu time spent up to now is 134.2 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.5 secs Computing kpt #: 104 total cpu time spent up to now is 137.9 secs Computing kpt #: 105 total cpu time spent up to now is 139.2 secs Computing kpt #: 106 total cpu time spent up to now is 140.5 secs Computing kpt #: 107 total cpu time spent up to now is 141.8 secs Computing kpt #: 108 total cpu time spent up to now is 143.0 secs Computing kpt #: 109 total cpu time spent up to now is 144.3 secs Computing kpt #: 110 total cpu time spent up to now is 145.3 secs Computing kpt #: 111 total cpu time spent up to now is 146.3 secs Computing kpt #: 112 total cpu time spent up to now is 147.3 secs Computing kpt #: 113 total cpu time spent up to now is 148.3 secs Computing kpt #: 114 total cpu time spent up to now is 149.3 secs Computing kpt #: 115 total cpu time spent up to now is 150.3 secs Computing kpt #: 116 total cpu time spent up to now is 151.3 secs Computing kpt #: 117 total cpu time spent up to now is 152.3 secs Computing kpt #: 118 total cpu time spent up to now is 153.2 secs Computing kpt #: 119 total cpu time spent up to now is 154.2 secs Computing kpt #: 120 total cpu time spent up to now is 155.2 secs Computing kpt #: 121 total cpu time spent up to now is 156.2 secs Computing kpt #: 122 total cpu time spent up to now is 157.2 secs Computing kpt #: 123 total cpu time spent up to now is 158.2 secs Computing kpt #: 124 total cpu time spent up to now is 159.1 secs Computing kpt #: 125 total cpu time spent up to now is 160.1 secs Computing kpt #: 126 total cpu time spent up to now is 161.1 secs Computing kpt #: 127 total cpu time spent up to now is 162.0 secs Computing kpt #: 128 total cpu time spent up to now is 163.0 secs Computing kpt #: 129 total cpu time spent up to now is 164.0 secs Computing kpt #: 130 total cpu time spent up to now is 165.0 secs Computing kpt #: 131 total cpu time spent up to now is 165.9 secs Computing kpt #: 132 total cpu time spent up to now is 166.9 secs Computing kpt #: 133 total cpu time spent up to now is 167.9 secs Computing kpt #: 134 total cpu time spent up to now is 168.9 secs Computing kpt #: 135 total cpu time spent up to now is 169.9 secs Computing kpt #: 136 total cpu time spent up to now is 170.9 secs Computing kpt #: 137 total cpu time spent up to now is 171.9 secs Computing kpt #: 138 total cpu time spent up to now is 173.0 secs Computing kpt #: 139 total cpu time spent up to now is 174.0 secs Computing kpt #: 140 total cpu time spent up to now is 175.0 secs Computing kpt #: 141 total cpu time spent up to now is 176.0 secs Computing kpt #: 142 total cpu time spent up to now is 177.1 secs Computing kpt #: 143 total cpu time spent up to now is 178.1 secs Computing kpt #: 144 total cpu time spent up to now is 179.1 secs Computing kpt #: 145 total cpu time spent up to now is 180.1 secs Computing kpt #: 146 total cpu time spent up to now is 181.1 secs Computing kpt #: 147 total cpu time spent up to now is 182.1 secs Computing kpt #: 148 total cpu time spent up to now is 183.3 secs Computing kpt #: 149 total cpu time spent up to now is 184.5 secs Computing kpt #: 150 total cpu time spent up to now is 185.4 secs Computing kpt #: 151 total cpu time spent up to now is 186.4 secs Computing kpt #: 152 total cpu time spent up to now is 187.4 secs Computing kpt #: 153 total cpu time spent up to now is 188.4 secs Computing kpt #: 154 total cpu time spent up to now is 189.4 secs Computing kpt #: 155 total cpu time spent up to now is 190.4 secs Computing kpt #: 156 total cpu time spent up to now is 191.4 secs Computing kpt #: 157 total cpu time spent up to now is 192.4 secs Computing kpt #: 158 total cpu time spent up to now is 193.8 secs Computing kpt #: 159 total cpu time spent up to now is 196.0 secs Computing kpt #: 160 total cpu time spent up to now is 197.7 secs Computing kpt #: 161 total cpu time spent up to now is 199.2 secs Computing kpt #: 162 total cpu time spent up to now is 200.7 secs Computing kpt #: 163 total cpu time spent up to now is 202.1 secs Computing kpt #: 164 total cpu time spent up to now is 203.5 secs Computing kpt #: 165 total cpu time spent up to now is 204.9 secs Computing kpt #: 166 total cpu time spent up to now is 206.4 secs Computing kpt #: 167 total cpu time spent up to now is 207.9 secs Computing kpt #: 168 total cpu time spent up to now is 211.2 secs Computing kpt #: 169 total cpu time spent up to now is 212.6 secs Computing kpt #: 170 total cpu time spent up to now is 213.9 secs Computing kpt #: 171 total cpu time spent up to now is 215.2 secs Computing kpt #: 172 total cpu time spent up to now is 216.7 secs Computing kpt #: 173 total cpu time spent up to now is 218.0 secs Computing kpt #: 174 total cpu time spent up to now is 219.3 secs Computing kpt #: 175 total cpu time spent up to now is 220.6 secs Computing kpt #: 176 total cpu time spent up to now is 221.9 secs Computing kpt #: 177 total cpu time spent up to now is 223.1 secs Computing kpt #: 178 total cpu time spent up to now is 224.2 secs Computing kpt #: 179 total cpu time spent up to now is 225.3 secs Computing kpt #: 180 total cpu time spent up to now is 226.5 secs Computing kpt #: 181 total cpu time spent up to now is 227.6 secs Computing kpt #: 182 total cpu time spent up to now is 228.7 secs Computing kpt #: 183 total cpu time spent up to now is 229.9 secs Computing kpt #: 184 total cpu time spent up to now is 231.0 secs Computing kpt #: 185 total cpu time spent up to now is 232.2 secs Computing kpt #: 186 total cpu time spent up to now is 233.3 secs Computing kpt #: 187 total cpu time spent up to now is 234.3 secs Computing kpt #: 188 total cpu time spent up to now is 235.4 secs Computing kpt #: 189 total cpu time spent up to now is 236.4 secs Computing kpt #: 190 total cpu time spent up to now is 237.5 secs Computing kpt #: 191 total cpu time spent up to now is 238.5 secs Computing kpt #: 192 total cpu time spent up to now is 239.6 secs Computing kpt #: 193 total cpu time spent up to now is 240.6 secs Computing kpt #: 194 total cpu time spent up to now is 241.7 secs Computing kpt #: 195 total cpu time spent up to now is 242.7 secs Computing kpt #: 196 total cpu time spent up to now is 243.8 secs Computing kpt #: 197 total cpu time spent up to now is 244.8 secs Computing kpt #: 198 total cpu time spent up to now is 245.8 secs Computing kpt #: 199 total cpu time spent up to now is 246.8 secs Computing kpt #: 200 total cpu time spent up to now is 247.9 secs Computing kpt #: 201 total cpu time spent up to now is 248.9 secs Computing kpt #: 202 total cpu time spent up to now is 249.9 secs Computing kpt #: 203 total cpu time spent up to now is 250.9 secs Computing kpt #: 204 total cpu time spent up to now is 251.9 secs Computing kpt #: 205 total cpu time spent up to now is 252.9 secs Computing kpt #: 206 total cpu time spent up to now is 253.9 secs Computing kpt #: 207 total cpu time spent up to now is 254.8 secs Computing kpt #: 208 total cpu time spent up to now is 255.7 secs Computing kpt #: 209 total cpu time spent up to now is 256.6 secs Computing kpt #: 210 total cpu time spent up to now is 257.5 secs Computing kpt #: 211 total cpu time spent up to now is 258.5 secs Computing kpt #: 212 total cpu time spent up to now is 259.4 secs Computing kpt #: 213 total cpu time spent up to now is 260.4 secs Computing kpt #: 214 total cpu time spent up to now is 261.4 secs Computing kpt #: 215 total cpu time spent up to now is 262.4 secs Computing kpt #: 216 total cpu time spent up to now is 263.4 secs Computing kpt #: 217 total cpu time spent up to now is 264.4 secs Computing kpt #: 218 total cpu time spent up to now is 265.3 secs Computing kpt #: 219 total cpu time spent up to now is 266.3 secs Computing kpt #: 220 total cpu time spent up to now is 267.3 secs Computing kpt #: 221 total cpu time spent up to now is 268.3 secs Computing kpt #: 222 total cpu time spent up to now is 269.9 secs Computing kpt #: 223 total cpu time spent up to now is 271.3 secs Computing kpt #: 224 total cpu time spent up to now is 272.7 secs Computing kpt #: 225 total cpu time spent up to now is 273.9 secs Computing kpt #: 226 total cpu time spent up to now is 275.2 secs Computing kpt #: 227 total cpu time spent up to now is 276.5 secs Computing kpt #: 228 total cpu time spent up to now is 277.7 secs Computing kpt #: 229 total cpu time spent up to now is 279.1 secs Computing kpt #: 230 total cpu time spent up to now is 280.3 secs Computing kpt #: 231 total cpu time spent up to now is 281.5 secs Computing kpt #: 232 total cpu time spent up to now is 282.6 secs Computing kpt #: 233 total cpu time spent up to now is 283.8 secs Computing kpt #: 234 total cpu time spent up to now is 284.9 secs Computing kpt #: 235 total cpu time spent up to now is 286.0 secs Computing kpt #: 236 total cpu time spent up to now is 287.1 secs Computing kpt #: 237 total cpu time spent up to now is 288.1 secs Computing kpt #: 238 total cpu time spent up to now is 289.2 secs Computing kpt #: 239 total cpu time spent up to now is 290.2 secs Computing kpt #: 240 total cpu time spent up to now is 291.3 secs Computing kpt #: 241 total cpu time spent up to now is 292.4 secs Computing kpt #: 242 total cpu time spent up to now is 293.4 secs Computing kpt #: 243 total cpu time spent up to now is 294.5 secs Computing kpt #: 244 total cpu time spent up to now is 295.6 secs Computing kpt #: 245 total cpu time spent up to now is 296.7 secs Computing kpt #: 246 total cpu time spent up to now is 297.8 secs Computing kpt #: 247 total cpu time spent up to now is 298.9 secs Computing kpt #: 248 total cpu time spent up to now is 300.0 secs Computing kpt #: 249 total cpu time spent up to now is 301.1 secs Computing kpt #: 250 total cpu time spent up to now is 302.2 secs Computing kpt #: 251 total cpu time spent up to now is 303.2 secs Computing kpt #: 252 total cpu time spent up to now is 304.3 secs Computing kpt #: 253 total cpu time spent up to now is 305.3 secs Computing kpt #: 254 total cpu time spent up to now is 306.4 secs Computing kpt #: 255 total cpu time spent up to now is 307.5 secs Computing kpt #: 256 total cpu time spent up to now is 308.6 secs Computing kpt #: 257 total cpu time spent up to now is 309.8 secs Computing kpt #: 258 total cpu time spent up to now is 310.9 secs Computing kpt #: 259 total cpu time spent up to now is 311.9 secs Computing kpt #: 260 total cpu time spent up to now is 312.9 secs Computing kpt #: 261 total cpu time spent up to now is 314.3 secs Computing kpt #: 262 total cpu time spent up to now is 315.7 secs Computing kpt #: 263 total cpu time spent up to now is 317.4 secs Computing kpt #: 264 total cpu time spent up to now is 318.9 secs Computing kpt #: 265 total cpu time spent up to now is 320.0 secs Computing kpt #: 266 total cpu time spent up to now is 321.1 secs Computing kpt #: 267 total cpu time spent up to now is 322.1 secs Computing kpt #: 268 total cpu time spent up to now is 323.1 secs Computing kpt #: 269 total cpu time spent up to now is 324.1 secs Computing kpt #: 270 total cpu time spent up to now is 325.1 secs Computing kpt #: 271 total cpu time spent up to now is 326.1 secs Computing kpt #: 272 total cpu time spent up to now is 327.0 secs Computing kpt #: 273 total cpu time spent up to now is 327.9 secs Computing kpt #: 274 total cpu time spent up to now is 328.8 secs Computing kpt #: 275 total cpu time spent up to now is 329.7 secs Computing kpt #: 276 total cpu time spent up to now is 330.6 secs Computing kpt #: 277 total cpu time spent up to now is 331.5 secs Computing kpt #: 278 total cpu time spent up to now is 332.4 secs Computing kpt #: 279 total cpu time spent up to now is 333.3 secs Computing kpt #: 280 total cpu time spent up to now is 334.2 secs Computing kpt #: 281 total cpu time spent up to now is 335.2 secs Computing kpt #: 282 total cpu time spent up to now is 336.2 secs Computing kpt #: 283 total cpu time spent up to now is 337.1 secs Computing kpt #: 284 total cpu time spent up to now is 338.1 secs Computing kpt #: 285 total cpu time spent up to now is 339.1 secs Computing kpt #: 286 total cpu time spent up to now is 340.1 secs Computing kpt #: 287 total cpu time spent up to now is 341.1 secs Computing kpt #: 288 total cpu time spent up to now is 342.1 secs Computing kpt #: 289 total cpu time spent up to now is 343.1 secs Computing kpt #: 290 total cpu time spent up to now is 344.2 secs Computing kpt #: 291 total cpu time spent up to now is 345.2 secs Computing kpt #: 292 total cpu time spent up to now is 346.3 secs Computing kpt #: 293 total cpu time spent up to now is 347.5 secs Computing kpt #: 294 total cpu time spent up to now is 348.6 secs Computing kpt #: 295 total cpu time spent up to now is 349.8 secs ethr = 1.56E-08, avg # of iterations = 34.2 total cpu time spent up to now is 349.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3821 PWs) bands (ev): -17.9923 -17.9923 -1.7446 -1.7446 -1.5028 -1.5028 -1.4574 -1.4574 2.8980 2.8980 5.1981 5.1981 5.7922 5.7922 5.8871 5.8871 5.9021 5.9021 5.9697 5.9697 6.0399 6.0399 6.2681 6.2681 6.5710 6.5710 6.5745 6.5745 6.7280 6.7280 7.0969 7.0969 7.4872 7.4872 8.0359 8.0359 8.1776 8.1776 8.3553 8.3553 8.5565 8.5565 8.6954 8.6954 8.7629 8.7629 9.0654 9.0654 9.1475 9.1475 9.1874 9.1874 9.7995 9.7995 10.0309 10.0309 10.6468 10.6468 10.7167 10.7167 11.1734 11.1734 12.6888 12.6888 13.1374 13.1374 13.6279 13.6279 13.6412 13.6412 14.2659 14.2659 15.7232 15.7232 18.4652 18.4652 k = 0.0152 0.0087-0.0000 ( 3821 PWs) bands (ev): -17.9923 -17.9923 -1.7446 -1.7446 -1.5028 -1.5028 -1.4574 -1.4574 2.8996 2.8996 5.1992 5.1992 5.7926 5.7926 5.8874 5.8874 5.9025 5.9025 5.9702 5.9702 6.0405 6.0405 6.2672 6.2672 6.5705 6.5705 6.5750 6.5750 6.7264 6.7264 7.0975 7.0975 7.4865 7.4865 8.0354 8.0354 8.1784 8.1784 8.3552 8.3552 8.5569 8.5569 8.6954 8.6954 8.7631 8.7631 9.0650 9.0650 9.1471 9.1471 9.1871 9.1871 9.7990 9.7990 10.0287 10.0287 10.6440 10.6440 10.7138 10.7138 11.1673 11.1673 12.6946 12.6946 13.1234 13.1234 13.6301 13.6301 13.6474 13.6474 14.2799 14.2799 15.7264 15.7264 18.4669 18.4669 k = 0.0303 0.0175-0.0000 ( 3813 PWs) bands (ev): -17.9923 -17.9923 -1.7447 -1.7447 -1.5030 -1.5030 -1.4575 -1.4575 2.9044 2.9044 5.2025 5.2025 5.7939 5.7939 5.8884 5.8884 5.9036 5.9036 5.9716 5.9716 6.0424 6.0424 6.2646 6.2646 6.5689 6.5689 6.5767 6.5767 6.7217 6.7217 7.0994 7.0994 7.4843 7.4843 8.0339 8.0339 8.1808 8.1808 8.3547 8.3547 8.5581 8.5581 8.6956 8.6956 8.7639 8.7639 9.0637 9.0637 9.1457 9.1457 9.1863 9.1863 9.7977 9.7977 10.0219 10.0219 10.6350 10.6350 10.7059 10.7059 11.1493 11.1493 12.7117 12.7117 13.0868 13.0868 13.5996 13.5996 13.7002 13.7002 14.3194 14.3194 15.7360 15.7360 18.4718 18.4718 k = 0.0455 0.0262-0.0000 ( 3815 PWs) bands (ev): -17.9923 -17.9923 -1.7449 -1.7449 -1.5033 -1.5033 -1.4576 -1.4576 2.9124 2.9124 5.2080 5.2080 5.7960 5.7960 5.8899 5.8899 5.9055 5.9055 5.9738 5.9738 6.0456 6.0456 6.2603 6.2603 6.5662 6.5662 6.5794 6.5794 6.7143 6.7143 7.1021 7.1021 7.4809 7.4809 8.0316 8.0316 8.1847 8.1847 8.3540 8.3540 8.5599 8.5599 8.6959 8.6959 8.7653 8.7653 9.0616 9.0616 9.1435 9.1435 9.1851 9.1851 9.7955 9.7955 10.0106 10.0106 10.6186 10.6186 10.6947 10.6947 11.1199 11.1199 12.7398 12.7398 13.0375 13.0375 13.5549 13.5549 13.7763 13.7763 14.3786 14.3786 15.7519 15.7519 18.4795 18.4795 k = 0.0606 0.0350-0.0000 ( 3827 PWs) bands (ev): -17.9923 -17.9923 -1.7452 -1.7452 -1.5038 -1.5038 -1.4578 -1.4578 2.9235 2.9235 5.2155 5.2155 5.7987 5.7987 5.8917 5.8917 5.9083 5.9083 5.9767 5.9767 6.0504 6.0504 6.2541 6.2541 6.5625 6.5625 6.5832 6.5832 6.7045 6.7045 7.1054 7.1054 7.4763 7.4763 8.0287 8.0287 8.1899 8.1899 8.3530 8.3530 8.5624 8.5624 8.6963 8.6963 8.7671 8.7671 9.0585 9.0585 9.1403 9.1403 9.1833 9.1833 9.7925 9.7925 9.9948 9.9948 10.5936 10.5936 10.6824 10.6824 11.0802 11.0802 12.7780 12.7780 12.9829 12.9829 13.5014 13.5014 13.8679 13.8679 14.4520 14.4520 15.7737 15.7737 18.4894 18.4894 k = 0.0758 0.0437-0.0000 ( 3835 PWs) bands (ev): -17.9923 -17.9923 -1.7456 -1.7456 -1.5043 -1.5043 -1.4580 -1.4580 2.9378 2.9378 5.2252 5.2252 5.8021 5.8021 5.8939 5.8939 5.9120 5.9120 5.9800 5.9800 6.0568 6.0568 6.2461 6.2461 6.5579 6.5579 6.5881 6.5881 6.6930 6.6930 7.1087 7.1087 7.4708 7.4708 8.0254 8.0254 8.1962 8.1962 8.3517 8.3517 8.5655 8.5655 8.6968 8.6968 8.7695 8.7695 9.0545 9.0545 9.1362 9.1362 9.1813 9.1813 9.7885 9.7885 9.9744 9.9744 10.5598 10.5598 10.6700 10.6700 11.0315 11.0315 12.8250 12.8250 12.9274 12.9274 13.4429 13.4429 13.9702 13.9702 14.5356 14.5356 15.8013 15.8013 18.5003 18.5003 k = 0.0909 0.0525-0.0000 ( 3841 PWs) bands (ev): -17.9923 -17.9923 -1.7460 -1.7460 -1.5050 -1.5050 -1.4582 -1.4582 2.9552 2.9552 5.2369 5.2369 5.8059 5.8059 5.8962 5.8962 5.9167 5.9167 5.9835 5.9835 6.0651 6.0651 6.2361 6.2361 6.5523 6.5523 6.5941 6.5941 6.6803 6.6803 7.1114 7.1114 7.4647 7.4647 8.0219 8.0219 8.2032 8.2032 8.3500 8.3500 8.5690 8.5690 8.6974 8.6974 8.7722 8.7722 9.0494 9.0494 9.1314 9.1314 9.1789 9.1789 9.7836 9.7836 9.9496 9.9496 10.5183 10.5183 10.6574 10.6574 10.9754 10.9754 12.8638 12.8638 12.8890 12.8890 13.3817 13.3817 14.0804 14.0804 14.6266 14.6266 15.8343 15.8343 18.5102 18.5102 k = 0.1061 0.0612-0.0000 ( 3849 PWs) bands (ev): -17.9923 -17.9923 -1.7465 -1.7465 -1.5058 -1.5058 -1.4585 -1.4585 2.9755 2.9755 5.2506 5.2506 5.8098 5.8098 5.8989 5.8989 5.9222 5.9222 5.9870 5.9870 6.0754 6.0754 6.2244 6.2244 6.5460 6.5460 6.6010 6.6010 6.6671 6.6671 7.1131 7.1131 7.4584 7.4584 8.0185 8.0185 8.2110 8.2110 8.3480 8.3480 8.5729 8.5729 8.6981 8.6981 8.7754 8.7754 9.0434 9.0434 9.1257 9.1257 9.1764 9.1764 9.7778 9.7778 9.9206 9.9206 10.4703 10.4703 10.6442 10.6442 10.9137 10.9137 12.8166 12.8166 12.9455 12.9455 13.3197 13.3197 14.1966 14.1966 14.7229 14.7229 15.8725 15.8725 18.5134 18.5134 k = 0.1212 0.0700-0.0000 ( 3855 PWs) bands (ev): -17.9923 -17.9923 -1.7471 -1.7471 -1.5066 -1.5066 -1.4587 -1.4587 2.9989 2.9989 5.2661 5.2661 5.8138 5.8138 5.9018 5.9018 5.9282 5.9282 5.9903 5.9903 6.0876 6.0876 6.2110 6.2110 6.5392 6.5392 6.6085 6.6085 6.6540 6.6540 7.1134 7.1134 7.4522 7.4522 8.0152 8.0152 8.2193 8.2193 8.3457 8.3457 8.5769 8.5769 8.6989 8.6989 8.7790 8.7790 9.0362 9.0362 9.1193 9.1193 9.1738 9.1738 9.7710 9.7710 9.8874 9.8874 10.4171 10.4171 10.6293 10.6293 10.8487 10.8487 12.7663 12.7663 13.0126 13.0126 13.2587 13.2587 14.3173 14.3173 14.8232 14.8232 15.9157 15.9157 18.4911 18.4911 k = 0.1364 0.0787-0.0000 ( 3855 PWs) bands (ev): -17.9922 -17.9922 -1.7477 -1.7477 -1.5076 -1.5076 -1.4590 -1.4590 3.0251 3.0251 5.2834 5.2834 5.8175 5.8175 5.9050 5.9050 5.9343 5.9343 5.9933 5.9933 6.1017 6.1017 6.1965 6.1965 6.5322 6.5322 6.6154 6.6154 6.6426 6.6426 7.1118 7.1118 7.4464 7.4464 8.0122 8.0122 8.2279 8.2279 8.3429 8.3429 8.5809 8.5809 8.6998 8.6998 8.7828 8.7828 9.0278 9.0278 9.1123 9.1123 9.1712 9.1712 9.7629 9.7629 9.8508 9.8508 10.3598 10.3598 10.6108 10.6108 10.7836 10.7836 12.7186 12.7186 13.0786 13.0786 13.2048 13.2048 14.4415 14.4415 14.9263 14.9263 15.9638 15.9638 18.4358 18.4358 k = 0.1515 0.0875-0.0000 ( 3851 PWs) bands (ev): -17.9922 -17.9922 -1.7483 -1.7483 -1.5086 -1.5086 -1.4594 -1.4594 3.0542 3.0542 5.3023 5.3023 5.8206 5.8206 5.9085 5.9085 5.9398 5.9398 5.9964 5.9964 6.1171 6.1171 6.1819 6.1819 6.5253 6.5253 6.6153 6.6153 6.6394 6.6394 7.1082 7.1082 7.4414 7.4414 8.0095 8.0095 8.2368 8.2368 8.3397 8.3397 8.5848 8.5848 8.7007 8.7007 8.7868 8.7868 9.0184 9.0184 9.1049 9.1049 9.1686 9.1686 9.7526 9.7526 9.8118 9.8118 10.2991 10.2991 10.5840 10.5840 10.7243 10.7243 12.6738 12.6738 13.0993 13.0993 13.2020 13.2020 14.5678 14.5678 15.0312 15.0312 16.0169 16.0169 18.3732 18.3732 k = 0.1667 0.0962-0.0000 ( 3855 PWs) bands (ev): -17.9922 -17.9922 -1.7490 -1.7490 -1.5096 -1.5096 -1.4597 -1.4597 3.0860 3.0860 5.3228 5.3228 5.8227 5.8227 5.9116 5.9116 5.9438 5.9438 5.9999 5.9999 6.1321 6.1321 6.1696 6.1696 6.5190 6.5190 6.6055 6.6055 6.6472 6.6472 7.1024 7.1024 7.4372 7.4372 8.0073 8.0073 8.2459 8.2459 8.3361 8.3361 8.5885 8.5885 8.7015 8.7015 8.7910 8.7910 9.0077 9.0077 9.0969 9.0969 9.1661 9.1661 9.7362 9.7362 9.7748 9.7748 10.2358 10.2358 10.5419 10.5419 10.6791 10.6791 12.6321 12.6321 13.0529 13.0529 13.2712 13.2712 14.6954 14.6954 15.1369 15.1369 16.0750 16.0750 18.3120 18.3120 k = 0.1818 0.1050-0.0000 ( 3855 PWs) bands (ev): -17.9921 -17.9921 -1.7498 -1.7498 -1.5108 -1.5108 -1.4600 -1.4600 3.1204 3.1204 5.3445 5.3445 5.8233 5.8233 5.9133 5.9133 5.9460 5.9460 6.0048 6.0048 6.1387 6.1387 6.1687 6.1687 6.5136 6.5136 6.5928 6.5928 6.6591 6.6591 7.0946 7.0946 7.4340 7.4340 8.0054 8.0054 8.2550 8.2550 8.3322 8.3322 8.5918 8.5918 8.7023 8.7023 8.7951 8.7951 8.9960 8.9960 9.0886 9.0886 9.1637 9.1637 9.7035 9.7035 9.7505 9.7505 10.1707 10.1707 10.4832 10.4832 10.6503 10.6503 12.5933 12.5933 12.9962 12.9962 13.3557 13.3557 14.8231 14.8231 15.2429 15.2429 16.1382 16.1382 18.2538 18.2538 k = 0.1970 0.1137-0.0000 ( 3867 PWs) bands (ev): -17.9921 -17.9921 -1.7506 -1.7506 -1.5120 -1.5120 -1.4604 -1.4604 3.1574 3.1574 5.3675 5.3675 5.8214 5.8214 5.9113 5.9113 5.9477 5.9477 6.0116 6.0116 6.1333 6.1333 6.1835 6.1835 6.5094 6.5094 6.5794 6.5794 6.6728 6.6728 7.0849 7.0849 7.4318 7.4318 8.0039 8.0039 8.2639 8.2639 8.3280 8.3280 8.5947 8.5947 8.7028 8.7028 8.7990 8.7990 8.9833 8.9833 9.0800 9.0800 9.1616 9.1616 9.6580 9.6580 9.7359 9.7359 10.1044 10.1044 10.4147 10.4147 10.6321 10.6321 12.5576 12.5576 12.9390 12.9390 13.4452 13.4452 14.9497 14.9497 15.3485 15.3485 16.2066 16.2066 18.1989 18.1989 k = 0.2121 0.1225-0.0000 ( 3867 PWs) bands (ev): -17.9921 -17.9921 -1.7514 -1.7514 -1.5132 -1.5132 -1.4607 -1.4607 3.1967 3.1967 5.3914 5.3914 5.8157 5.8157 5.9038 5.9038 5.9512 5.9512 6.0203 6.0203 6.1274 6.1274 6.2029 6.2029 6.5069 6.5069 6.5659 6.5659 6.6878 6.6878 7.0736 7.0736 7.4306 7.4306 8.0027 8.0027 8.2722 8.2722 8.3239 8.3239 8.5971 8.5971 8.7030 8.7030 8.8025 8.8025 8.9697 8.9697 9.0711 9.0711 9.1597 9.1597 9.6081 9.6081 9.7233 9.7233 10.0375 10.0375 10.3426 10.3426 10.6191 10.6191 12.5247 12.5247 12.8830 12.8830 13.5378 13.5378 15.0740 15.0740 15.4535 15.4535 16.2802 16.2802 18.1470 18.1470 k = 0.2273 0.1312-0.0000 ( 3863 PWs) bands (ev): -17.9920 -17.9920 -1.7522 -1.7522 -1.5144 -1.5144 -1.4611 -1.4611 3.2382 3.2382 5.4160 5.4160 5.8038 5.8038 5.8932 5.8932 5.9571 5.9571 6.0306 6.0306 6.1245 6.1245 6.2232 6.2232 6.5061 6.5061 6.5524 6.5524 6.7040 6.7040 7.0613 7.0613 7.4302 7.4302 8.0016 8.0016 8.2793 8.2793 8.3206 8.3206 8.5988 8.5988 8.7026 8.7026 8.8054 8.8054 8.9555 8.9555 9.0618 9.0618 9.1583 9.1583 9.5562 9.5562 9.7107 9.7107 9.9707 9.9707 10.2698 10.2698 10.6090 10.6090 12.4945 12.4945 12.8287 12.8287 13.6325 13.6325 15.1945 15.1945 15.5579 15.5579 16.3585 16.3585 18.0971 18.0971 k = 0.2424 0.1400-0.0000 ( 3867 PWs) bands (ev): -17.9920 -17.9920 -1.7531 -1.7531 -1.5156 -1.5156 -1.4614 -1.4614 3.2819 3.2819 5.4409 5.4409 5.7834 5.7834 5.8836 5.8836 5.9646 5.9646 6.0419 6.0419 6.1248 6.1248 6.2429 6.2429 6.5066 6.5066 6.5398 6.5398 6.7213 6.7213 7.0484 7.0484 7.4306 7.4306 8.0004 8.0004 8.2833 8.2833 8.3197 8.3197 8.5999 8.5999 8.7015 8.7015 8.8074 8.8074 8.9407 8.9407 9.0521 9.0521 9.1572 9.1572 9.5038 9.5038 9.6974 9.6974 9.9048 9.9048 10.1983 10.1983 10.6006 10.6006 12.4670 12.4670 12.7766 12.7766 13.7288 13.7288 15.3098 15.3098 15.6620 15.6620 16.4408 16.4408 18.0478 18.0478 k = 0.2576 0.1487-0.0000 ( 3863 PWs) bands (ev): -17.9920 -17.9920 -1.7539 -1.7539 -1.5168 -1.5168 -1.4617 -1.4617 3.3274 3.3274 5.4657 5.4657 5.7547 5.7547 5.8768 5.8768 5.9729 5.9729 6.0539 6.0539 6.1280 6.1280 6.2612 6.2612 6.5057 6.5057 6.5309 6.5309 6.7396 6.7396 7.0357 7.0357 7.4317 7.4317 7.9988 7.9988 8.2827 8.2827 8.3229 8.3229 8.6004 8.6004 8.6995 8.6995 8.8083 8.8083 8.9257 8.9257 9.0420 9.0420 9.1566 9.1566 9.4519 9.4519 9.6829 9.6829 9.8408 9.8408 10.1289 10.1289 10.5935 10.5935 12.4420 12.4420 12.7268 12.7268 13.8261 13.8261 15.4188 15.4188 15.7663 15.7663 16.5259 16.5259 17.9971 17.9971 k = 0.2727 0.1575-0.0000 ( 3871 PWs) bands (ev): -17.9919 -17.9919 -1.7548 -1.7548 -1.5180 -1.5180 -1.4621 -1.4621 3.3745 3.3745 5.4894 5.4894 5.7201 5.7201 5.8727 5.8727 5.9816 5.9816 6.0663 6.0663 6.1336 6.1336 6.2774 6.2774 6.4980 6.4980 6.5313 6.5313 6.7587 6.7587 7.0237 7.0237 7.4335 7.4335 7.9966 7.9966 8.2779 8.2779 8.3297 8.3297 8.6000 8.6000 8.6962 8.6962 8.8076 8.8076 8.9105 8.9105 9.0313 9.0313 9.1565 9.1565 9.4015 9.4015 9.6664 9.6664 9.7800 9.7800 10.0625 10.0625 10.5872 10.5872 12.4192 12.4192 12.6795 12.6795 13.9239 13.9239 15.5206 15.5206 15.8713 15.8713 16.6118 16.6118 17.9421 17.9421 k = 0.2879 0.1662-0.0000 ( 3877 PWs) bands (ev): -17.9919 -17.9919 -1.7556 -1.7556 -1.5192 -1.5192 -1.4624 -1.4624 3.4231 3.4231 5.5104 5.5104 5.6831 5.6831 5.8703 5.8703 5.9904 5.9904 6.0789 6.0789 6.1413 6.1413 6.2909 6.2909 6.4850 6.4850 6.5392 6.5392 6.7786 6.7786 7.0134 7.0134 7.4358 7.4358 7.9932 7.9932 8.2706 8.2706 8.3385 8.3385 8.5989 8.5989 8.6916 8.6916 8.8052 8.8052 8.8955 8.8955 9.0202 9.0202 9.1571 9.1571 9.3539 9.3539 9.6454 9.6454 9.7253 9.7253 9.9997 9.9997 10.5817 10.5817 12.3987 12.3987 12.6349 12.6349 14.0218 14.0218 15.6148 15.6148 15.9769 15.9769 16.6963 16.6963 17.8809 17.8809 k = 0.3030 0.1750-0.0000 ( 3877 PWs) bands (ev): -17.9919 -17.9919 -1.7564 -1.7564 -1.5203 -1.5203 -1.4627 -1.4627 3.4729 3.4729 5.5238 5.5238 5.6499 5.6499 5.8688 5.8688 5.9992 5.9992 6.0916 6.0916 6.1506 6.1506 6.3017 6.3017 6.4703 6.4703 6.5503 6.5503 6.7993 6.7993 7.0055 7.0055 7.4387 7.4387 7.9883 7.9883 8.2618 8.2618 8.3484 8.3484 8.5967 8.5967 8.6853 8.6853 8.8008 8.8008 8.8805 8.8805 9.0084 9.0084 9.1582 9.1582 9.3102 9.3102 9.6150 9.6150 9.6823 9.6823 9.9408 9.9408 10.5769 10.5769 12.3803 12.3803 12.5931 12.5931 14.1191 14.1191 15.7019 15.7019 16.0828 16.0828 16.7768 16.7768 17.8127 17.8127 k = 0.3182 0.1837-0.0000 ( 3875 PWs) bands (ev): -17.9919 -17.9919 -1.7572 -1.7572 -1.5214 -1.5214 -1.4630 -1.4630 3.5235 3.5235 5.5186 5.5186 5.6323 5.6323 5.8680 5.8680 6.0077 6.0077 6.1045 6.1045 6.1611 6.1611 6.3099 6.3099 6.4549 6.4549 6.5624 6.5624 6.8204 6.8204 7.0010 7.0010 7.4424 7.4424 7.9813 7.9813 8.2521 8.2521 8.3590 8.3590 8.5932 8.5932 8.6776 8.6776 8.7944 8.7944 8.8654 8.8654 8.9963 8.9963 9.1598 9.1598 9.2715 9.2715 9.5736 9.5736 9.6531 9.6531 9.8864 9.8864 10.5726 10.5726 12.3639 12.3639 12.5540 12.5540 14.2154 14.2154 15.7829 15.7829 16.1880 16.1880 16.8506 16.8506 17.7384 17.7384 k = 0.3333 0.1925-0.0000 ( 3875 PWs) bands (ev): -17.9918 -17.9918 -1.7580 -1.7580 -1.5224 -1.5224 -1.4632 -1.4632 3.5746 3.5746 5.4895 5.4895 5.6364 5.6364 5.8675 5.8675 6.0160 6.0160 6.1173 6.1173 6.1726 6.1726 6.3158 6.3158 6.4392 6.4392 6.5737 6.5737 6.8421 6.8421 7.0007 7.0007 7.4469 7.4469 7.9717 7.9717 8.2419 8.2419 8.3698 8.3698 8.5880 8.5880 8.6686 8.6686 8.7864 8.7864 8.8497 8.8497 8.9841 8.9841 9.1619 9.1619 9.2388 9.2388 9.5281 9.5281 9.6313 9.6313 9.8368 9.8368 10.5688 10.5688 12.3492 12.3492 12.5178 12.5178 14.3099 14.3099 15.8588 15.8588 16.2914 16.2914 16.9150 16.9150 17.6600 17.6600 k = 0.3485 0.2012-0.0000 ( 3863 PWs) bands (ev): -17.9918 -17.9918 -1.7587 -1.7587 -1.5234 -1.5234 -1.4635 -1.4635 3.6257 3.6257 5.4473 5.4473 5.6519 5.6519 5.8674 5.8674 6.0238 6.0238 6.1299 6.1299 6.1847 6.1847 6.3198 6.3198 6.4237 6.4237 6.5830 6.5830 6.8640 6.8640 7.0051 7.0051 7.4525 7.4525 7.9589 7.9589 8.2314 8.2314 8.3808 8.3808 8.5805 8.5805 8.6591 8.6591 8.7773 8.7773 8.8332 8.8332 8.9720 8.9720 9.1640 9.1640 9.2126 9.2126 9.4840 9.4840 9.6118 9.6118 9.7923 9.7923 10.5654 10.5654 12.3364 12.3364 12.4846 12.4846 14.4020 14.4020 15.9308 15.9308 16.3918 16.3918 16.9682 16.9682 17.5801 17.5801 k = 0.3636 0.2099-0.0000 ( 3871 PWs) bands (ev): -17.9917 -17.9917 -1.7593 -1.7593 -1.5243 -1.5243 -1.4637 -1.4637 3.6763 3.6763 5.4004 5.4004 5.6708 5.6708 5.8675 5.8675 6.0314 6.0314 6.1424 6.1424 6.1971 6.1971 6.3224 6.3224 6.4083 6.4083 6.5891 6.5891 6.8859 6.8859 7.0144 7.0144 7.4595 7.4595 7.9426 7.9426 8.2207 8.2207 8.3919 8.3919 8.5701 8.5701 8.6503 8.6503 8.7678 8.7678 8.8157 8.8157 8.9605 8.9605 9.1653 9.1653 9.1933 9.1933 9.4436 9.4436 9.5925 9.5925 9.7532 9.7532 10.5625 10.5625 12.3252 12.3252 12.4543 12.4543 14.4909 14.4909 16.0001 16.0001 16.4879 16.4879 17.0084 17.0084 17.5012 17.5012 k = 0.3788 0.2187-0.0000 ( 3867 PWs) bands (ev): -17.9917 -17.9917 -1.7599 -1.7599 -1.5251 -1.5251 -1.4639 -1.4639 3.7259 3.7259 5.3523 5.3523 5.6899 5.6899 5.8679 5.8679 6.0385 6.0385 6.1544 6.1544 6.2096 6.2096 6.3239 6.3239 6.3935 6.3935 6.5917 6.5917 6.9076 6.9076 7.0282 7.0282 7.4683 7.4683 7.9225 7.9225 8.2098 8.2098 8.4028 8.4028 8.5570 8.5570 8.6430 8.6430 8.7583 8.7583 8.7977 8.7977 8.9495 8.9495 9.1634 9.1634 9.1827 9.1827 9.4081 9.4081 9.5730 9.5730 9.7196 9.7196 10.5599 10.5599 12.3156 12.3156 12.4269 12.4269 14.5757 14.5757 16.0675 16.0675 16.5787 16.5787 17.0341 17.0341 17.4267 17.4267 k = 0.3939 0.2274-0.0000 ( 3871 PWs) bands (ev): -17.9917 -17.9917 -1.7605 -1.7605 -1.5258 -1.5258 -1.4641 -1.4641 3.7737 3.7737 5.3050 5.3050 5.7082 5.7082 5.8685 5.8685 6.0454 6.0454 6.1657 6.1657 6.2218 6.2218 6.3246 6.3246 6.3795 6.3795 6.5910 6.5910 6.9286 6.9286 7.0453 7.0453 7.4794 7.4794 7.8985 7.8985 8.1986 8.1986 8.4135 8.4135 8.5420 8.5420 8.6376 8.6376 8.7492 8.7492 8.7799 8.7799 8.9390 8.9390 9.1573 9.1573 9.1804 9.1804 9.3782 9.3782 9.5530 9.5530 9.6916 9.6916 10.5577 10.5577 12.3075 12.3075 12.4025 12.4025 14.6552 14.6552 16.1338 16.1338 16.6630 16.6630 17.0425 17.0425 17.3613 17.3613 k = 0.4091 0.2362-0.0000 ( 3865 PWs) bands (ev): -17.9917 -17.9917 -1.7610 -1.7610 -1.5265 -1.5265 -1.4642 -1.4642 3.8187 3.8187 5.2598 5.2598 5.7247 5.7247 5.8692 5.8692 6.0518 6.0518 6.1762 6.1762 6.2335 6.2335 6.3247 6.3247 6.3666 6.3666 6.5876 6.5876 6.9484 6.9484 7.0643 7.0643 7.4934 7.4934 7.8709 7.8709 8.1871 8.1871 8.4235 8.4235 8.5266 8.5266 8.6339 8.6339 8.7406 8.7406 8.7631 8.7631 8.9290 8.9290 9.1514 9.1514 9.1810 9.1810 9.3543 9.3543 9.5329 9.5329 9.6688 9.6688 10.5559 10.5559 12.3010 12.3010 12.3810 12.3810 14.7283 14.7283 16.1994 16.1994 16.7397 16.7397 17.0299 17.0299 17.3109 17.3109 k = 0.4242 0.2449-0.0000 ( 3871 PWs) bands (ev): -17.9917 -17.9917 -1.7614 -1.7614 -1.5270 -1.5270 -1.4644 -1.4644 3.8600 3.8600 5.2181 5.2181 5.7390 5.7390 5.8702 5.8702 6.0577 6.0577 6.1856 6.1856 6.2441 6.2441 6.3242 6.3242 6.3552 6.3552 6.5825 6.5825 6.9665 6.9665 7.0836 7.0836 7.5108 7.5108 7.8399 7.8399 8.1757 8.1757 8.4328 8.4328 8.5125 8.5125 8.6317 8.6317 8.7318 8.7318 8.7487 8.7487 8.9194 8.9194 9.1474 9.1474 9.1815 9.1815 9.3363 9.3363 9.5136 9.5136 9.6506 9.6506 10.5543 10.5543 12.2959 12.2959 12.3625 12.3625 14.7936 14.7936 16.2647 16.2647 16.8077 16.8077 16.9947 16.9947 17.2793 17.2793 k = 0.4394 0.2537-0.0000 ( 3859 PWs) bands (ev): -17.9916 -17.9916 -1.7618 -1.7618 -1.5275 -1.5275 -1.4645 -1.4645 3.8965 3.8965 5.1812 5.1812 5.7510 5.7510 5.8712 5.8712 6.0631 6.0631 6.1936 6.1936 6.2534 6.2534 6.3233 6.3233 6.3458 6.3458 6.5765 6.5765 6.9824 6.9824 7.1016 7.1016 7.5321 7.5321 7.8059 7.8059 8.1646 8.1646 8.4409 8.4409 8.5007 8.5007 8.6305 8.6305 8.7219 8.7219 8.7382 8.7382 8.9107 8.9107 9.1451 9.1451 9.1811 9.1811 9.3241 9.3241 9.4959 9.4959 9.6365 9.6365 10.5530 10.5530 12.2922 12.2922 12.3469 12.3469 14.8498 14.8498 16.3297 16.3297 16.8659 16.8659 16.9422 16.9422 17.2635 17.2635 k = 0.4545 0.2624-0.0000 ( 3864 PWs) bands (ev): -17.9916 -17.9916 -1.7620 -1.7620 -1.5278 -1.5278 -1.4646 -1.4646 3.9268 3.9268 5.1505 5.1505 5.7603 5.7603 5.8722 5.8722 6.0676 6.0676 6.2000 6.2000 6.2609 6.2609 6.3220 6.3220 6.3389 6.3389 6.5707 6.5707 6.9955 6.9955 7.1169 7.1169 7.5576 7.5576 7.7697 7.7697 8.1548 8.1548 8.4477 8.4477 8.4916 8.4916 8.6302 8.6302 8.7114 8.7114 8.7317 8.7317 8.9031 8.9031 9.1443 9.1443 9.1799 9.1799 9.3168 9.3168 9.4806 9.4806 9.6259 9.6259 10.5520 10.5520 12.2899 12.2899 12.3343 12.3343 14.8954 14.8954 16.3936 16.3936 16.8807 16.8807 16.9133 16.9133 17.2570 17.2570 k = 0.4697 0.2712-0.0000 ( 3864 PWs) bands (ev): -17.9916 -17.9916 -1.7622 -1.7622 -1.5281 -1.5281 -1.4646 -1.4646 3.9496 3.9496 5.1273 5.1273 5.7670 5.7670 5.8731 5.8731 6.0712 6.0712 6.2047 6.2047 6.2661 6.2661 6.3206 6.3206 6.3345 6.3345 6.5657 6.5657 7.0053 7.0053 7.1283 7.1283 7.5871 7.5871 7.7321 7.7321 8.1470 8.1470 8.4527 8.4527 8.4853 8.4853 8.6306 8.6306 8.7024 8.7024 8.7278 8.7278 8.8972 8.8972 9.1442 9.1442 9.1782 9.1782 9.3130 9.3130 9.4688 9.4688 9.6186 9.6186 10.5514 10.5514 12.2887 12.2887 12.3248 12.3248 14.9291 14.9291 16.4544 16.4544 16.8188 16.8188 16.9484 16.9484 17.2551 17.2551 k = 0.4848 0.2799-0.0000 ( 3860 PWs) bands (ev): -17.9916 -17.9916 -1.7623 -1.7623 -1.5282 -1.5282 -1.4647 -1.4647 3.9639 3.9639 5.1128 5.1128 5.7709 5.7709 5.8738 5.8738 6.0734 6.0734 6.2076 6.2076 6.2692 6.2692 6.3195 6.3195 6.3323 6.3323 6.5625 6.5625 7.0113 7.0113 7.1354 7.1354 7.6200 7.6200 7.6942 7.6942 8.1419 8.1419 8.4558 8.4558 8.4816 8.4816 8.6311 8.6311 8.6963 8.6963 8.7257 8.7257 8.8934 8.8934 9.1444 9.1444 9.1769 9.1769 9.3114 9.3114 9.4613 9.4613 9.6142 9.6142 10.5509 10.5509 12.2883 12.2883 12.3188 12.3188 14.9498 14.9498 16.5052 16.5052 16.7662 16.7662 16.9702 16.9702 17.2549 17.2549 k = 0.5000 0.2887-0.0000 ( 3852 PWs) bands (ev): -17.9916 -17.9916 -1.7624 -1.7624 -1.5283 -1.5283 -1.4647 -1.4647 3.9687 3.9687 5.1079 5.1079 5.7723 5.7723 5.8740 5.8740 6.0742 6.0742 6.2085 6.2085 6.2701 6.2701 6.3191 6.3191 6.3317 6.3317 6.5613 6.5613 7.0134 7.0134 7.1378 7.1378 7.6508 7.6508 7.6617 7.6617 8.1402 8.1402 8.4569 8.4569 8.4804 8.4804 8.6314 8.6314 8.6941 8.6941 8.7250 8.7250 8.8921 8.8921 9.1446 9.1446 9.1764 9.1764 9.3111 9.3111 9.4587 9.4587 9.6128 9.6128 10.5508 10.5508 12.2883 12.2883 12.3167 12.3167 14.9568 14.9568 16.5278 16.5278 16.7430 16.7430 16.9776 16.9776 17.2550 17.2550 k = 0.5000 0.2887-0.0000 ( 3852 PWs) bands (ev): -17.9916 -17.9916 -1.7624 -1.7624 -1.5283 -1.5283 -1.4647 -1.4647 3.9687 3.9687 5.1079 5.1079 5.7723 5.7723 5.8740 5.8740 6.0742 6.0742 6.2085 6.2085 6.2701 6.2701 6.3191 6.3191 6.3317 6.3317 6.5613 6.5613 7.0134 7.0134 7.1378 7.1378 7.6508 7.6508 7.6617 7.6617 8.1402 8.1402 8.4569 8.4569 8.4804 8.4804 8.6314 8.6314 8.6941 8.6941 8.7250 8.7250 8.8921 8.8921 9.1446 9.1446 9.1764 9.1764 9.3111 9.3111 9.4587 9.4587 9.6128 9.6128 10.5508 10.5508 12.2883 12.2883 12.3167 12.3167 14.9568 14.9568 16.5278 16.5278 16.7430 16.7430 16.9776 16.9776 17.2550 17.2550 k = 0.4912 0.3039-0.0000 ( 3852 PWs) bands (ev): -17.9916 -17.9916 -1.7624 -1.7624 -1.5283 -1.5283 -1.4647 -1.4647 3.9704 3.9704 5.1061 5.1061 5.7727 5.7727 5.8746 5.8746 6.0738 6.0738 6.2075 6.2075 6.2709 6.2709 6.3189 6.3189 6.3324 6.3324 6.5603 6.5603 7.0087 7.0087 7.1441 7.1441 7.6472 7.6472 7.6668 7.6668 8.1398 8.1398 8.4521 8.4521 8.4839 8.4839 8.6318 8.6318 8.6941 8.6941 8.7243 8.7243 8.8924 8.8924 9.1427 9.1427 9.1785 9.1785 9.3111 9.3111 9.4597 9.4597 9.6126 9.6126 10.5506 10.5506 12.1414 12.1414 12.4652 12.4652 14.9599 14.9599 16.5165 16.5165 16.7409 16.7409 16.9849 16.9849 17.2512 17.2512 k = 0.4825 0.3191-0.0000 ( 3864 PWs) bands (ev): -17.9916 -17.9916 -1.7624 -1.7624 -1.5283 -1.5283 -1.4648 -1.4648 3.9754 3.9754 5.1009 5.1009 5.7739 5.7739 5.8765 5.8765 6.0726 6.0726 6.2044 6.2044 6.2731 6.2731 6.3182 6.3182 6.3344 6.3344 6.5572 6.5572 6.9969 6.9969 7.1608 7.1608 7.6421 7.6421 7.6763 7.6763 8.1388 8.1388 8.4411 8.4411 8.4908 8.4908 8.6328 8.6328 8.6937 8.6937 8.7230 8.7230 8.8932 8.8932 9.1379 9.1379 9.1839 9.1839 9.3113 9.3113 9.4626 9.4626 9.6118 9.6118 10.5498 10.5498 11.9832 11.9832 12.6281 12.6281 14.9694 14.9694 16.4849 16.4849 16.7344 16.7344 17.0043 17.0043 17.2412 17.2412 k = 0.4737 0.3343-0.0000 ( 3873 PWs) bands (ev): -17.9916 -17.9916 -1.7624 -1.7624 -1.5284 -1.5284 -1.4649 -1.4649 3.9838 3.9838 5.0920 5.0920 5.7759 5.7759 5.8796 5.8796 6.0707 6.0707 6.1998 6.1998 6.2763 6.2763 6.3171 6.3171 6.3378 6.3378 6.5521 6.5521 6.9816 6.9816 7.1842 7.1842 7.6383 7.6383 7.6872 7.6872 8.1373 8.1373 8.4265 8.4265 8.4986 8.4986 8.6340 8.6340 8.6920 8.6920 8.7225 8.7225 8.8941 8.8941 9.1317 9.1317 9.1910 9.1910 9.3118 9.3118 9.4673 9.4673 9.6106 9.6106 10.5486 10.5486 11.8270 11.8270 12.7922 12.7922 14.9852 14.9852 16.4379 16.4379 16.7220 16.7220 17.0308 17.0308 17.2289 17.2289 k = 0.4649 0.3494-0.0000 ( 3873 PWs) bands (ev): -17.9916 -17.9916 -1.7624 -1.7624 -1.5285 -1.5285 -1.4650 -1.4650 3.9955 3.9955 5.0798 5.0798 5.7786 5.7786 5.8839 5.8839 6.0681 6.0681 6.1940 6.1940 6.2800 6.2800 6.3158 6.3158 6.3424 6.3424 6.5452 6.5452 6.9652 6.9652 7.2117 7.2117 7.6359 7.6359 7.6992 7.6992 8.1355 8.1355 8.4091 8.4091 8.5067 8.5067 8.6345 8.6345 8.6886 8.6886 8.7246 8.7246 8.8947 8.8947 9.1247 9.1247 9.1992 9.1992 9.3126 9.3126 9.4739 9.4739 9.6089 9.6089 10.5470 10.5470 11.6735 11.6735 12.9570 12.9570 15.0072 15.0072 16.3799 16.3799 16.7018 16.7018 17.0592 17.0592 17.2196 17.2196 k = 0.4561 0.3646-0.0000 ( 3865 PWs) bands (ev): -17.9916 -17.9916 -1.7623 -1.7623 -1.5285 -1.5285 -1.4652 -1.4652 4.0105 4.0105 5.0640 5.0640 5.7821 5.7821 5.8894 5.8894 6.0649 6.0649 6.1874 6.1874 6.2838 6.2838 6.3144 6.3144 6.3480 6.3480 6.5367 6.5367 6.9489 6.9489 7.2420 7.2420 7.6352 7.6352 7.7118 7.7118 8.1336 8.1336 8.3890 8.3890 8.5148 8.5148 8.6334 8.6334 8.6843 8.6843 8.7296 8.7296 8.8947 8.8947 9.1171 9.1171 9.2081 9.2081 9.3139 9.3139 9.4820 9.4820 9.6068 9.6068 10.5451 10.5451 11.5229 11.5229 13.1221 13.1221 15.0353 15.0353 16.3144 16.3144 16.6723 16.6723 17.0858 17.0858 17.2185 17.2185 k = 0.4474 0.3798-0.0000 ( 3859 PWs) bands (ev): -17.9916 -17.9916 -1.7623 -1.7623 -1.5287 -1.5287 -1.4654 -1.4654 4.0287 4.0287 5.0449 5.0449 5.7862 5.7862 5.8960 5.8960 6.0613 6.0613 6.1802 6.1802 6.2871 6.2871 6.3134 6.3134 6.3545 6.3545 6.5269 6.5269 6.9334 6.9334 7.2742 7.2742 7.6359 7.6359 7.7247 7.7247 8.1320 8.1320 8.3665 8.3665 8.5224 8.5224 8.6299 8.6299 8.6813 8.6813 8.7370 8.7370 8.8937 8.8937 9.1090 9.1090 9.2175 9.2175 9.3157 9.3157 9.4915 9.4915 9.6044 9.6044 10.5428 10.5428 11.3759 11.3759 13.2872 13.2872 15.0692 15.0692 16.2436 16.2436 16.6327 16.6327 17.1090 17.1090 17.2275 17.2275 k = 0.4386 0.3950-0.0000 ( 3855 PWs) bands (ev): -17.9916 -17.9916 -1.7623 -1.7623 -1.5288 -1.5288 -1.4656 -1.4656 4.0502 4.0502 5.0224 5.0224 5.7910 5.7910 5.9037 5.9037 6.0572 6.0572 6.1727 6.1727 6.2894 6.2894 6.3132 6.3132 6.3618 6.3618 6.5160 6.5160 6.9188 6.9188 7.3079 7.3079 7.6377 7.6377 7.7379 7.7379 8.1310 8.1310 8.3420 8.3420 8.5287 8.5287 8.6242 8.6242 8.6805 8.6805 8.7462 8.7462 8.8916 8.8916 9.1003 9.1003 9.2272 9.2272 9.3184 9.3184 9.5021 9.5021 9.6019 9.6019 10.5402 10.5402 11.2329 11.2329 13.4518 13.4518 15.1089 15.1089 16.1690 16.1690 16.5835 16.5835 17.1299 17.1299 17.2125 17.2126 k = 0.4298 0.4102-0.0000 ( 3855 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5289 -1.5289 -1.4658 -1.4658 4.0748 4.0748 4.9966 4.9966 5.7964 5.7964 5.9123 5.9123 6.0529 6.0529 6.1649 6.1649 6.2902 6.2902 6.3143 6.3143 6.3696 6.3696 6.5043 6.5043 6.9053 6.9053 7.3425 7.3425 7.6405 7.6405 7.7510 7.7510 8.1307 8.1307 8.3156 8.3156 8.5325 8.5325 8.6181 8.6181 8.6820 8.6820 8.7568 8.7568 8.8883 8.8883 9.0910 9.0910 9.2372 9.2372 9.3219 9.3219 9.5135 9.5135 9.5996 9.5996 10.5375 10.5375 11.0945 11.0945 13.6158 13.6158 15.1539 15.1539 16.0919 16.0919 16.5266 16.5266 17.1271 17.1271 17.1663 17.1663 k = 0.4211 0.4254-0.0000 ( 3855 PWs) bands (ev): -17.9915 -17.9915 -1.7622 -1.7622 -1.5290 -1.5290 -1.4660 -1.4660 4.1025 4.1025 4.9676 4.9676 5.8022 5.8022 5.9218 5.9218 6.0483 6.0483 6.1569 6.1569 6.2895 6.2895 6.3166 6.3166 6.3777 6.3777 6.4922 6.4922 6.8932 6.8932 7.3778 7.3778 7.6437 7.6437 7.7640 7.7640 8.1313 8.1313 8.2879 8.2879 8.5323 8.5323 8.6137 8.6137 8.6852 8.6852 8.7685 8.7685 8.8840 8.8840 9.0809 9.0809 9.2471 9.2471 9.3266 9.3266 9.5250 9.5250 9.5979 9.5979 10.5347 10.5347 10.9613 10.9613 13.7786 13.7786 15.2040 15.2040 16.0131 16.0131 16.4639 16.4639 17.0528 17.0528 17.1883 17.1883 k = 0.4123 0.4406-0.0000 ( 3863 PWs) bands (ev): -17.9916 -17.9916 -1.7622 -1.7622 -1.5292 -1.5292 -1.4663 -1.4663 4.1332 4.1332 4.9356 4.9356 5.8084 5.8084 5.9321 5.9321 6.0437 6.0437 6.1489 6.1489 6.2879 6.2879 6.3196 6.3196 6.3859 6.3859 6.4798 6.4798 6.8824 6.8824 7.4133 7.4133 7.6470 7.6470 7.7770 7.7770 8.1329 8.1329 8.2592 8.2592 8.5272 8.5272 8.6126 8.6126 8.6896 8.6896 8.7808 8.7808 8.8787 8.8787 9.0699 9.0699 9.2568 9.2568 9.3326 9.3326 9.5356 9.5356 9.5977 9.5977 10.5318 10.5318 10.8340 10.8340 13.9399 13.9399 15.2587 15.2587 15.9333 15.9333 16.3978 16.3978 16.9684 16.9684 17.2204 17.2204 k = 0.4035 0.4558-0.0000 ( 3863 PWs) bands (ev): -17.9915 -17.9915 -1.7622 -1.7622 -1.5293 -1.5293 -1.4665 -1.4665 4.1668 4.1668 4.9006 4.9006 5.8149 5.8149 5.9429 5.9429 6.0392 6.0392 6.1409 6.1409 6.2858 6.2858 6.3227 6.3227 6.3941 6.3941 6.4676 6.4676 6.8731 6.8731 7.4486 7.4486 7.6499 7.6499 7.7899 7.7899 8.1354 8.1354 8.2300 8.2300 8.5177 8.5177 8.6148 8.6148 8.6951 8.6951 8.7931 8.7931 8.8731 8.8731 9.0581 9.0581 9.2657 9.2657 9.3402 9.3402 9.5436 9.5436 9.6004 9.6004 10.5289 10.5289 10.7137 10.7137 14.0991 14.0991 15.3171 15.3171 15.8535 15.8535 16.3300 16.3300 16.8803 16.8803 17.2571 17.2571 k = 0.3947 0.4710-0.0000 ( 3861 PWs) bands (ev): -17.9915 -17.9915 -1.7622 -1.7622 -1.5295 -1.5295 -1.4667 -1.4667 4.2033 4.2033 4.8628 4.8628 5.8215 5.8215 5.9540 5.9540 6.0347 6.0347 6.1331 6.1331 6.2837 6.2837 6.3257 6.3257 6.4018 6.4018 6.4558 6.4558 6.8653 6.8653 7.4830 7.4830 7.6522 7.6522 7.8027 7.8027 8.1386 8.1386 8.2010 8.2010 8.5053 8.5053 8.6190 8.6190 8.7014 8.7014 8.8046 8.8046 8.8678 8.8678 9.0454 9.0454 9.2737 9.2737 9.3497 9.3497 9.5475 9.5475 9.6071 9.6071 10.5257 10.5257 10.6018 10.6018 14.2559 14.2559 15.3779 15.3779 15.7750 15.7750 16.2623 16.2623 16.7899 16.7899 17.2968 17.2968 k = 0.3860 0.4862-0.0000 ( 3857 PWs) bands (ev): -17.9915 -17.9915 -1.7622 -1.7622 -1.5296 -1.5296 -1.4669 -1.4669 4.2425 4.2425 4.8223 4.8223 5.8281 5.8281 5.9653 5.9653 6.0304 6.0304 6.1254 6.1254 6.2818 6.2818 6.3283 6.3283 6.4089 6.4089 6.4450 6.4450 6.8591 6.8591 7.5159 7.5159 7.6539 7.6539 7.8153 7.8153 8.1421 8.1421 8.1730 8.1730 8.4917 8.4917 8.6242 8.6242 8.7084 8.7084 8.8134 8.8134 8.8647 8.8647 9.0319 9.0319 9.2803 9.2803 9.3611 9.3611 9.5477 9.5477 9.6172 9.6172 10.4956 10.4956 10.5264 10.5264 14.4094 14.4094 15.4374 15.4374 15.7009 15.7009 16.1964 16.1964 16.6981 16.6981 17.3379 17.3379 k = 0.3772 0.5014-0.0000 ( 3853 PWs) bands (ev): -17.9915 -17.9915 -1.7622 -1.7622 -1.5298 -1.5298 -1.4671 -1.4671 4.2843 4.2843 4.7793 4.7793 5.8344 5.8344 5.9762 5.9762 6.0265 6.0265 6.1181 6.1181 6.2803 6.2803 6.3302 6.3302 6.4146 6.4146 6.4356 6.4356 6.8545 6.8545 7.5462 7.5462 7.6553 7.6553 7.8276 7.8276 8.1426 8.1426 8.1494 8.1494 8.4779 8.4779 8.6297 8.6297 8.7158 8.7158 8.8173 8.8173 8.8661 8.8661 9.0177 9.0177 9.2856 9.2856 9.3740 9.3740 9.5452 9.5452 9.6286 9.6286 10.4052 10.4052 10.5225 10.5225 14.5588 14.5588 15.4819 15.4819 15.6439 15.6439 16.1343 16.1343 16.6060 16.6060 17.3775 17.3775 k = 0.3684 0.5166-0.0000 ( 3861 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5299 -1.5299 -1.4673 -1.4673 4.3285 4.3285 4.7339 4.7339 5.8403 5.8403 5.9865 5.9865 6.0230 6.0230 6.1115 6.1115 6.2792 6.2792 6.3314 6.3314 6.4176 6.4176 6.4294 6.4294 6.8514 6.8514 7.5720 7.5720 7.6573 7.6573 7.8391 7.8391 8.1214 8.1214 8.1495 8.1495 8.4650 8.4650 8.6348 8.6348 8.7233 8.7233 8.8155 8.8155 8.8725 8.8725 9.0033 9.0033 9.2896 9.2896 9.3878 9.3878 9.5414 9.5414 9.6394 9.6394 10.3263 10.3263 10.5204 10.5204 14.7028 14.7028 15.4712 15.4712 15.6424 15.6424 16.0786 16.0786 16.5149 16.5149 17.4122 17.4122 k = 0.3596 0.5318-0.0000 ( 3871 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5300 -1.5300 -1.4674 -1.4674 4.3750 4.3750 4.6865 4.6865 5.8454 5.8454 5.9955 5.9955 6.0200 6.0200 6.1058 6.1058 6.2785 6.2785 6.3319 6.3319 6.4152 6.4152 6.4291 6.4291 6.8497 6.8497 7.5913 7.5913 7.6612 7.6612 7.8494 7.8494 8.1012 8.1012 8.1513 8.1513 8.4539 8.4539 8.6393 8.6393 8.7305 8.7305 8.8105 8.8105 8.8816 8.8816 8.9893 8.9893 9.2925 9.2925 9.4017 9.4017 9.5370 9.5370 9.6479 9.6479 10.2626 10.2626 10.5188 10.5188 14.8391 14.8391 15.4114 15.4114 15.6867 15.6867 16.0336 16.0336 16.4268 16.4268 17.4401 17.4401 k = 0.3509 0.5470-0.0000 ( 3871 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5301 -1.5301 -1.4675 -1.4675 4.4235 4.4235 4.6374 4.6374 5.8494 5.8494 6.0026 6.0026 6.0177 6.0177 6.1013 6.1013 6.2783 6.2783 6.3319 6.3319 6.4111 6.4111 6.4310 6.4310 6.8490 6.8490 7.6027 7.6027 7.6675 7.6675 7.8577 7.8577 8.0857 8.0857 8.1522 8.1522 8.4455 8.4455 8.6429 8.6429 8.7368 8.7368 8.8049 8.8049 8.8907 8.8907 8.9769 8.9769 9.2945 9.2945 9.4141 9.4141 9.5328 9.5328 9.6529 9.6529 10.2164 10.2164 10.5176 10.5176 14.9642 14.9642 15.3398 15.3398 15.7329 15.7329 16.0057 16.0057 16.3462 16.3462 17.4619 17.4619 k = 0.3421 0.5622-0.0000 ( 3875 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5302 -1.5302 -1.4676 -1.4676 4.4727 4.4727 4.5877 4.5877 5.8520 5.8520 6.0072 6.0072 6.0163 6.0163 6.0986 6.0986 6.2782 6.2782 6.3317 6.3317 6.4082 6.4082 6.4324 6.4324 6.8490 6.8490 7.6074 7.6074 7.6738 7.6738 7.8633 7.8633 8.0760 8.0760 8.1521 8.1521 8.4402 8.4402 8.6453 8.6453 8.7413 8.7413 8.8005 8.8005 8.8974 8.8974 8.9679 8.9679 9.2956 9.2956 9.4231 9.4231 9.5296 9.5296 9.6545 9.6545 10.1890 10.1890 10.5169 10.5169 15.0701 15.0701 15.2696 15.2696 15.7618 15.7618 15.9994 15.9994 16.2825 16.2825 17.4783 17.4783 k = 0.3333 0.5774-0.0000 ( 3867 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5302 -1.5302 -1.4676 -1.4676 4.5087 4.5087 4.5516 4.5516 5.8529 5.8529 6.0086 6.0086 6.0159 6.0159 6.0977 6.0977 6.2782 6.2782 6.3316 6.3316 6.4072 6.4072 6.4328 6.4328 6.8491 6.8491 7.6084 7.6084 7.6764 7.6764 7.8654 7.8654 8.0727 8.0727 8.1518 8.1518 8.4384 8.4384 8.6461 8.6461 8.7429 8.7429 8.7989 8.7989 8.8998 8.8998 8.9647 8.9647 9.2960 9.2960 9.4265 9.4265 9.5284 9.5284 9.6543 9.6543 10.1801 10.1801 10.5167 10.5167 15.1244 15.1244 15.2287 15.2287 15.7702 15.7702 16.0021 16.0021 16.2561 16.2561 17.4859 17.4859 k = 0.3333 0.5774-0.0000 ( 3867 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5302 -1.5302 -1.4676 -1.4676 4.5087 4.5087 4.5516 4.5516 5.8529 5.8529 6.0086 6.0086 6.0159 6.0159 6.0977 6.0977 6.2782 6.2782 6.3316 6.3316 6.4072 6.4072 6.4328 6.4328 6.8491 6.8491 7.6084 7.6084 7.6764 7.6764 7.8654 7.8654 8.0727 8.0727 8.1518 8.1518 8.4384 8.4384 8.6461 8.6461 8.7429 8.7429 8.7989 8.7989 8.8998 8.8998 8.9647 8.9647 9.2960 9.2960 9.4265 9.4265 9.5284 9.5284 9.6543 9.6543 10.1801 10.1801 10.5167 10.5167 15.1244 15.1244 15.2287 15.2287 15.7702 15.7702 16.0021 16.0021 16.2561 16.2561 17.4859 17.4859 k = 0.3243 0.5617-0.0000 ( 3871 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5302 -1.5302 -1.4676 -1.4676 4.4698 4.4698 4.5907 4.5907 5.8519 5.8519 6.0074 6.0074 6.0161 6.0161 6.0985 6.0985 6.2782 6.2782 6.3317 6.3317 6.4083 6.4083 6.4324 6.4324 6.8488 6.8488 7.6078 7.6078 7.6733 7.6733 7.8628 7.8628 8.0761 8.0761 8.1525 8.1525 8.4402 8.4402 8.6452 8.6452 8.7413 8.7413 8.8006 8.8006 8.8979 8.8979 8.9677 8.9677 9.2956 9.2956 9.4228 9.4228 9.5295 9.5295 9.6556 9.6556 10.1886 10.1886 10.5169 10.5169 15.0793 15.0793 15.2573 15.2573 15.7604 15.7604 16.0019 16.0019 16.2845 16.2845 17.4731 17.4731 k = 0.3153 0.5461-0.0000 ( 3867 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5301 -1.5301 -1.4675 -1.4675 4.4139 4.4139 4.6470 4.6470 5.8486 5.8486 6.0041 6.0041 6.0165 6.0165 6.1004 6.1004 6.2781 6.2781 6.3319 6.3319 6.4115 6.4115 6.4317 6.4317 6.8474 6.8474 7.6064 7.6064 7.6641 7.6641 7.8547 7.8547 8.0859 8.0859 8.1551 8.1551 8.4456 8.4456 8.6422 8.6422 8.7372 8.7372 8.8050 8.8050 8.8945 8.8945 8.9750 8.9750 9.2943 9.2943 9.4124 9.4124 9.5321 9.5321 9.6614 9.6614 10.2119 10.2119 10.5178 10.5178 15.0059 15.0059 15.2803 15.2803 15.7220 15.7220 16.0264 16.0264 16.3546 16.3546 17.4359 17.4359 k = 0.3063 0.5305-0.0000 ( 3859 PWs) bands (ev): -17.9915 -17.9915 -1.7622 -1.7622 -1.5300 -1.5300 -1.4674 -1.4674 4.3556 4.3556 4.7062 4.7062 5.8430 5.8430 5.9991 5.9991 6.0171 6.0171 6.1028 6.1028 6.2782 6.2782 6.3318 6.3318 6.4156 6.4156 6.4321 6.4321 6.8443 6.8443 7.6035 7.6035 7.6504 7.6504 7.8416 7.8416 8.1008 8.1008 8.1602 8.1602 8.4542 8.4542 8.6374 8.6374 8.7320 8.7320 8.8108 8.8108 8.8923 8.8923 8.9843 8.9843 9.2920 9.2920 9.3981 9.3981 9.5350 9.5350 9.6730 9.6730 10.2471 10.2471 10.5194 10.5194 14.9288 14.9288 15.2783 15.2783 15.6535 15.6535 16.0924 16.0924 16.4461 16.4461 17.3841 17.3841 k = 0.2973 0.5149-0.0000 ( 3861 PWs) bands (ev): -17.9915 -17.9915 -1.7622 -1.7622 -1.5298 -1.5298 -1.4673 -1.4673 4.2959 4.2959 4.7670 4.7670 5.8351 5.8351 5.9930 5.9930 6.0176 6.0176 6.1051 6.1051 6.2787 6.2787 6.3310 6.3310 6.4174 6.4174 6.4373 6.4373 6.8391 6.8391 7.5960 7.5960 7.6353 7.6353 7.8260 7.8260 8.1189 8.1189 8.1681 8.1681 8.4657 8.4657 8.6308 8.6308 8.7268 8.7268 8.8173 8.8173 8.8926 8.8926 8.9944 8.9944 9.2884 9.2884 9.3828 9.3828 9.5380 9.5380 9.6901 9.6901 10.2916 10.2916 10.5218 10.5218 14.8511 14.8511 15.2577 15.2577 15.5672 15.5672 16.1876 16.1876 16.5489 16.5489 17.3249 17.3249 k = 0.2883 0.4993-0.0000 ( 3857 PWs) bands (ev): -17.9915 -17.9915 -1.7620 -1.7620 -1.5295 -1.5295 -1.4671 -1.4671 4.2353 4.2353 4.8292 4.8292 5.8250 5.8250 5.9863 5.9863 6.0177 6.0177 6.1070 6.1070 6.2796 6.2796 6.3292 6.3292 6.4161 6.4161 6.4481 6.4481 6.8317 6.8317 7.5794 7.5794 7.6218 7.6218 7.8122 7.8122 8.1374 8.1374 8.1792 8.1792 8.4797 8.4797 8.6229 8.6229 8.7226 8.7226 8.8239 8.8239 8.8959 8.8959 9.0046 9.0046 9.2828 9.2828 9.3693 9.3693 9.5416 9.5416 9.7116 9.7116 10.3433 10.3433 10.5257 10.5257 14.7737 14.7737 15.2261 15.2261 15.4721 15.4721 16.2991 16.2991 16.6588 16.6588 17.2622 17.2622 k = 0.2793 0.4837-0.0000 ( 3861 PWs) bands (ev): -17.9915 -17.9915 -1.7619 -1.7619 -1.5292 -1.5292 -1.4669 -1.4669 4.1740 4.1740 4.8923 4.8923 5.8126 5.8126 5.9792 5.9792 6.0170 6.0170 6.1083 6.1083 6.2809 6.2809 6.3266 6.3266 6.4137 6.4137 6.4623 6.4623 6.8220 6.8220 7.5529 7.5529 7.6085 7.6085 7.8051 7.8051 8.1534 8.1534 8.1946 8.1946 8.4957 8.4957 8.6141 8.6141 8.7198 8.7198 8.8303 8.8303 8.9020 8.9020 9.0147 9.0147 9.2752 9.2752 9.3596 9.3596 9.5460 9.5460 9.7365 9.7365 10.3994 10.3994 10.5324 10.5324 14.6967 14.6967 15.1884 15.1884 15.3721 15.3721 16.4197 16.4197 16.7733 16.7733 17.1980 17.1980 k = 0.2703 0.4681-0.0000 ( 3861 PWs) bands (ev): -17.9915 -17.9915 -1.7617 -1.7617 -1.5288 -1.5288 -1.4667 -1.4667 4.1122 4.1122 4.9562 4.9562 5.7982 5.7982 5.9720 5.9720 6.0156 6.0156 6.1090 6.1090 6.2818 6.2818 6.3237 6.3237 6.4115 6.4115 6.4785 6.4785 6.8102 6.8102 7.5186 7.5186 7.5929 7.5929 7.8073 7.8073 8.1653 8.1653 8.2141 8.2141 8.5129 8.5129 8.6056 8.6056 8.7191 8.7191 8.8363 8.8363 8.9106 8.9106 9.0245 9.0245 9.2657 9.2657 9.3548 9.3548 9.5516 9.5516 9.7640 9.7640 10.4537 10.4537 10.5472 10.5472 14.6204 14.6204 15.1476 15.1476 15.2693 15.2693 16.5451 16.5451 16.8912 16.8912 17.1338 17.1338 k = 0.2613 0.4525-0.0000 ( 3861 PWs) bands (ev): -17.9916 -17.9916 -1.7614 -1.7614 -1.5284 -1.5284 -1.4664 -1.4664 4.0502 4.0502 5.0206 5.0206 5.7819 5.7819 5.9648 5.9648 6.0132 6.0132 6.1088 6.1088 6.2814 6.2814 6.3212 6.3212 6.4101 6.4101 6.4956 6.4956 6.7970 6.7970 7.4780 7.4780 7.5750 7.5750 7.8183 7.8183 8.1741 8.1741 8.2360 8.2360 8.5293 8.5293 8.5992 8.5992 8.7205 8.7205 8.8414 8.8414 8.9214 8.9214 9.0340 9.0340 9.2553 9.2553 9.3550 9.3550 9.5584 9.5584 9.7935 9.7935 10.4915 10.4915 10.5842 10.5842 14.5449 14.5449 15.1053 15.1053 15.1649 15.1649 16.6733 16.6733 17.0102 17.0102 17.0712 17.0712 k = 0.2523 0.4369-0.0000 ( 3861 PWs) bands (ev): -17.9916 -17.9916 -1.7611 -1.7611 -1.5278 -1.5278 -1.4661 -1.4661 3.9881 3.9881 5.0852 5.0852 5.7636 5.7636 5.9577 5.9577 6.0099 6.0099 6.1079 6.1079 6.2784 6.2784 6.3201 6.3201 6.4100 6.4100 6.5126 6.5126 6.7831 6.7831 7.4326 7.4326 7.5565 7.5565 7.8359 7.8359 8.1810 8.1810 8.2584 8.2584 8.5406 8.5406 8.5992 8.5992 8.7240 8.7240 8.8456 8.8456 8.9340 8.9340 9.0431 9.0431 9.2454 9.2454 9.3600 9.3600 9.5664 9.5664 9.8249 9.8249 10.5084 10.5084 10.6472 10.6472 14.4701 14.4701 15.0562 15.0562 15.0659 15.0659 16.8022 16.8022 17.0064 17.0064 17.1339 17.1339 k = 0.2432 0.4213-0.0000 ( 3873 PWs) bands (ev): -17.9916 -17.9916 -1.7608 -1.7608 -1.5273 -1.5273 -1.4658 -1.4658 3.9261 3.9261 5.1499 5.1499 5.7437 5.7437 5.9508 5.9508 6.0059 6.0059 6.1062 6.1062 6.2720 6.2720 6.3206 6.3206 6.4118 6.4118 6.5284 6.5284 6.7694 6.7694 7.3844 7.3844 7.5386 7.5386 7.8575 7.8575 8.1872 8.1872 8.2802 8.2802 8.5429 8.5429 8.6093 8.6093 8.7296 8.7296 8.8486 8.8486 8.9482 8.9482 9.0521 9.0521 9.2368 9.2368 9.3698 9.3698 9.5755 9.5755 9.8580 9.8580 10.5168 10.5168 10.7234 10.7234 14.3961 14.3961 14.9519 14.9519 15.0215 15.0215 16.9168 16.9168 16.9602 16.9602 17.2540 17.2540 k = 0.2342 0.4057-0.0000 ( 3877 PWs) bands (ev): -17.9917 -17.9917 -1.7604 -1.7604 -1.5266 -1.5266 -1.4655 -1.4655 3.8644 3.8644 5.2144 5.2144 5.7221 5.7221 5.9440 5.9440 6.0012 6.0012 6.1038 6.1038 6.2628 6.2628 6.3217 6.3217 6.4159 6.4159 6.5417 6.5417 6.7574 6.7574 7.3351 7.3351 7.5219 7.5219 7.8808 7.8808 8.1932 8.1932 8.3005 8.3005 8.5391 8.5391 8.6261 8.6261 8.7374 8.7374 8.8507 8.8507 8.9634 8.9634 9.0611 9.0611 9.2304 9.2304 9.3846 9.3846 9.5856 9.5856 9.8926 9.8926 10.5226 10.5226 10.8064 10.8064 14.3229 14.3229 14.8449 14.8449 14.9799 14.9799 16.8777 16.8777 17.0682 17.0682 17.3693 17.3693 k = 0.2252 0.3901-0.0000 ( 3873 PWs) bands (ev): -17.9917 -17.9917 -1.7599 -1.7599 -1.5258 -1.5258 -1.4652 -1.4652 3.8033 3.8033 5.2783 5.2783 5.6991 5.6991 5.9373 5.9373 5.9962 5.9962 6.1005 6.1005 6.2514 6.2514 6.3226 6.3226 6.4222 6.4222 6.5509 6.5509 6.7483 6.7483 7.2862 7.2862 7.5067 7.5067 7.9039 7.9039 8.1997 8.1997 8.3185 8.3185 8.5342 8.5342 8.6446 8.6446 8.7475 8.7475 8.8518 8.8518 8.9788 8.9788 9.0704 9.0704 9.2270 9.2270 9.4046 9.4046 9.5964 9.5964 9.9289 9.9289 10.5274 10.5274 10.8943 10.8943 14.2506 14.2506 14.7374 14.7374 14.9392 14.9392 16.8179 16.8179 17.1965 17.1965 17.4618 17.4618 k = 0.2162 0.3745-0.0000 ( 3871 PWs) bands (ev): -17.9917 -17.9917 -1.7593 -1.7593 -1.5250 -1.5250 -1.4648 -1.4648 3.7429 3.7429 5.3414 5.3414 5.6748 5.6748 5.9308 5.9308 5.9909 5.9909 6.0966 6.0966 6.2383 6.2383 6.3226 6.3226 6.4307 6.4307 6.5549 6.5549 6.7433 6.7433 7.2391 7.2391 7.4930 7.4930 7.9255 7.9255 8.2070 8.2070 8.3333 8.3333 8.5308 8.5308 8.6617 8.6617 8.7598 8.7598 8.8524 8.8524 8.9936 8.9936 9.0806 9.0806 9.2275 9.2275 9.4301 9.4301 9.6079 9.6079 9.9667 9.9667 10.5319 10.5319 10.9862 10.9862 14.1792 14.1792 14.6298 14.6298 14.8993 14.8993 16.7578 16.7578 17.3210 17.3210 17.4845 17.4845 k = 0.2072 0.3589-0.0000 ( 3855 PWs) bands (ev): -17.9917 -17.9917 -1.7587 -1.7587 -1.5240 -1.5240 -1.4644 -1.4644 3.6833 3.6833 5.4034 5.4034 5.6493 5.6493 5.9245 5.9245 5.9854 5.9854 6.0920 6.0920 6.2242 6.2242 6.3211 6.3211 6.4410 6.4410 6.5533 6.5533 6.7425 6.7425 7.1952 7.1952 7.4810 7.4810 7.9443 7.9443 8.2154 8.2154 8.3439 8.3439 8.5306 8.5306 8.6761 8.6761 8.7739 8.7739 8.8530 8.8530 9.0067 9.0067 9.0918 9.0918 9.2331 9.2331 9.4612 9.4612 9.6198 9.6198 10.0061 10.0061 10.5364 10.5364 11.0815 11.0815 14.1089 14.1089 14.5222 14.5222 14.8604 14.8604 16.6980 16.6980 17.3944 17.3944 17.4887 17.4887 k = 0.1982 0.3433-0.0000 ( 3867 PWs) bands (ev): -17.9918 -17.9918 -1.7581 -1.7581 -1.5231 -1.5231 -1.4641 -1.4641 3.6248 3.6248 5.4640 5.4640 5.6230 5.6230 5.9184 5.9184 5.9801 5.9801 6.0867 6.0867 6.2095 6.2095 6.3180 6.3180 6.4527 6.4527 6.5470 6.5470 6.7449 6.7449 7.1558 7.1558 7.4704 7.4704 7.9599 7.9599 8.2248 8.2248 8.3498 8.3498 8.5341 8.5341 8.6873 8.6873 8.7885 8.7885 8.8547 8.8547 9.0176 9.0176 9.1034 9.1034 9.2452 9.2452 9.4980 9.4980 9.6321 9.6321 10.0472 10.0472 10.5408 10.5408 11.1799 11.1799 14.0396 14.0396 14.4148 14.4148 14.8223 14.8223 16.6382 16.6382 17.3219 17.3219 17.5959 17.5959 k = 0.1892 0.3277-0.0000 ( 3863 PWs) bands (ev): -17.9918 -17.9918 -1.7574 -1.7574 -1.5220 -1.5220 -1.4637 -1.4637 3.5675 3.5675 5.5228 5.5228 5.5959 5.5959 5.9124 5.9124 5.9750 5.9750 6.0807 6.0807 6.1944 6.1944 6.3128 6.3128 6.4655 6.4655 6.5377 6.5377 6.7483 6.7483 7.1222 7.1222 7.4613 7.4613 7.9721 7.9721 8.2348 8.2348 8.3511 8.3511 8.5409 8.5409 8.6955 8.6955 8.8014 8.8014 8.8590 8.8590 9.0265 9.0265 9.1142 9.1142 9.2654 9.2654 9.5403 9.5403 9.6447 9.6447 10.0900 10.0900 10.5454 10.5454 11.2810 11.2810 13.9716 13.9716 14.3078 14.3078 14.7848 14.7848 16.5780 16.5780 17.2005 17.2005 17.7170 17.7170 k = 0.1802 0.3121-0.0000 ( 3865 PWs) bands (ev): -17.9918 -17.9918 -1.7567 -1.7567 -1.5210 -1.5210 -1.4633 -1.4633 3.5117 3.5117 5.5681 5.5681 5.5793 5.5793 5.9068 5.9068 5.9702 5.9702 6.0740 6.0740 6.1797 6.1797 6.3053 6.3053 6.4789 6.4789 6.5274 6.5274 6.7504 6.7504 7.0955 7.0955 7.4535 7.4535 7.9814 7.9814 8.2450 8.2450 8.3488 8.3488 8.5500 8.5500 8.7013 8.7013 8.8102 8.8102 8.8678 8.8678 9.0338 9.0338 9.1234 9.1234 9.2940 9.2940 9.5877 9.5877 9.6576 9.6576 10.1346 10.1346 10.5502 10.5502 11.3845 11.3845 13.9049 13.9049 14.2014 14.2014 14.7478 14.7478 16.5168 16.5168 17.0537 17.0537 17.8358 17.8358 k = 0.1712 0.2965-0.0000 ( 3863 PWs) bands (ev): -17.9919 -17.9919 -1.7559 -1.7559 -1.5198 -1.5198 -1.4629 -1.4629 3.4573 3.4573 5.5402 5.5402 5.6327 5.6327 5.9014 5.9014 5.9659 5.9659 6.0665 6.0665 6.1657 6.1657 6.2952 6.2952 6.4926 6.4926 6.5176 6.5176 6.7493 6.7493 7.0766 7.0766 7.4471 7.4471 7.9880 7.9880 8.2548 8.2548 8.3439 8.3439 8.5598 8.5598 8.7050 8.7050 8.8143 8.8143 8.8809 8.8809 9.0403 9.0403 9.1307 9.1307 9.3306 9.3306 9.6388 9.6388 9.6721 9.6721 10.1810 10.1810 10.5552 10.5552 11.4901 11.4901 13.8396 13.8396 14.0959 14.0959 14.7112 14.7112 16.4531 16.4531 16.8924 16.8924 17.9470 17.9470 k = 0.1622 0.2809-0.0000 ( 3863 PWs) bands (ev): -17.9919 -17.9919 -1.7551 -1.7551 -1.5186 -1.5186 -1.4625 -1.4625 3.4047 3.4047 5.5121 5.5121 5.6825 5.6825 5.8966 5.8966 5.9623 5.9623 6.0581 6.0581 6.1530 6.1530 6.2822 6.2822 6.5056 6.5056 6.5104 6.5104 6.7442 6.7442 7.0656 7.0656 7.4418 7.4418 7.9927 7.9927 8.2635 8.2635 8.3379 8.3379 8.5691 8.5691 8.7072 8.7072 8.8151 8.8151 8.8967 8.8967 9.0465 9.0465 9.1365 9.1365 9.3736 9.3736 9.6760 9.6760 9.7051 9.7051 10.2294 10.2294 10.5605 10.5605 11.5974 11.5974 13.7760 13.7760 13.9917 13.9917 14.6745 14.6745 16.3842 16.3842 16.7264 16.7264 18.0327 18.0327 k = 0.1532 0.2653-0.0000 ( 3859 PWs) bands (ev): -17.9919 -17.9919 -1.7542 -1.7542 -1.5174 -1.5174 -1.4621 -1.4621 3.3540 3.3540 5.4841 5.4841 5.7275 5.7275 5.8925 5.8925 5.9596 5.9596 6.0488 6.0488 6.1424 6.1424 6.2666 6.2666 6.5030 6.5030 6.5211 6.5211 6.7351 6.7351 7.0618 7.0618 7.4376 7.4376 7.9960 7.9960 8.2704 8.2704 8.3318 8.3318 8.5771 8.5771 8.7081 8.7081 8.8140 8.8140 8.9134 8.9134 9.0528 9.0528 9.1414 9.1414 9.4215 9.4215 9.6911 9.6911 9.7647 9.7647 10.2798 10.2798 10.5661 10.5661 11.7061 11.7061 13.7140 13.7140 13.8893 13.8893 14.6376 14.6376 16.3031 16.3031 16.5672 16.5672 18.0730 18.0730 k = 0.1441 0.2497-0.0000 ( 3859 PWs) bands (ev): -17.9920 -17.9920 -1.7534 -1.7534 -1.5162 -1.5162 -1.4617 -1.4617 3.3053 3.3053 5.4565 5.4565 5.7661 5.7661 5.8898 5.8898 5.9581 5.9581 6.0386 6.0386 6.1345 6.1345 6.2487 6.2487 6.4998 6.4998 6.5350 6.5350 6.7229 6.7229 7.0637 7.0637 7.4345 7.4345 7.9983 7.9983 8.2744 8.2744 8.3270 8.3270 8.5833 8.5833 8.7081 8.7081 8.8117 8.8117 8.9303 8.9303 9.0593 9.0593 9.1456 9.1456 9.4727 9.4727 9.7036 9.7036 9.8304 9.8304 10.3324 10.3324 10.5721 10.5721 11.8159 11.8159 13.6533 13.6533 13.7897 13.7897 14.6000 14.6000 16.1959 16.1959 16.4320 16.4320 18.1046 18.1046 k = 0.1351 0.2341-0.0000 ( 3849 PWs) bands (ev): -17.9920 -17.9920 -1.7525 -1.7525 -1.5149 -1.5149 -1.4613 -1.4613 3.2588 3.2588 5.4294 5.4294 5.7961 5.7961 5.8891 5.8891 5.9583 5.9583 6.0278 6.0278 6.1300 6.1300 6.2292 6.2292 6.4989 6.4989 6.5488 6.5488 6.7088 6.7088 7.0695 7.0695 7.4326 7.4326 8.0000 8.0000 8.2747 8.2747 8.3249 8.3249 8.5876 8.5876 8.7075 8.7075 8.8087 8.8087 8.9467 8.9467 9.0662 9.0662 9.1495 9.1495 9.5258 9.5258 9.7156 9.7156 9.8999 9.8999 10.3873 10.3873 10.5785 10.5785 11.9263 11.9263 13.5924 13.5924 13.6952 13.6952 14.5613 14.5613 16.0546 16.0546 16.3312 16.3312 18.1389 18.1389 k = 0.1261 0.2185-0.0000 ( 3845 PWs) bands (ev): -17.9920 -17.9920 -1.7517 -1.7517 -1.5136 -1.5136 -1.4609 -1.4609 3.2146 3.2146 5.4030 5.4030 5.8157 5.8157 5.8911 5.8911 5.9600 5.9600 6.0169 6.0169 6.1295 6.1295 6.2089 6.2089 6.5004 6.5004 6.5625 6.5625 6.6938 6.6938 7.0774 7.0774 7.4317 7.4317 8.0014 8.0014 8.2711 8.2711 8.3255 8.3255 8.5899 8.5899 8.7065 8.7065 8.8051 8.8051 8.9624 8.9624 9.0734 9.0734 9.1532 9.1532 9.5792 9.5792 9.7274 9.7274 9.9719 9.9719 10.4445 10.4445 10.5855 10.5855 12.0368 12.0368 13.5268 13.5268 13.6112 13.6112 14.5209 14.5209 15.8914 15.8914 16.2542 16.2542 18.1775 18.1775 k = 0.1171 0.2029-0.0000 ( 3845 PWs) bands (ev): -17.9921 -17.9921 -1.7509 -1.7509 -1.5124 -1.5124 -1.4606 -1.4606 3.1729 3.1729 5.3775 5.3775 5.8252 5.8252 5.8948 5.8948 5.9623 5.9623 6.0070 6.0070 6.1330 6.1330 6.1887 6.1887 6.5037 6.5037 6.5760 6.5760 6.6789 6.6789 7.0862 7.0862 7.4320 7.4320 8.0029 8.0029 8.2648 8.2648 8.3282 8.3282 8.5906 8.5906 8.7053 8.7053 8.8011 8.8011 8.9773 8.9773 9.0808 9.0808 9.1567 9.1567 9.6315 9.6315 9.7395 9.7395 10.0455 10.0455 10.5041 10.5041 10.5932 10.5932 12.1468 12.1468 13.4503 13.4503 13.5449 13.5449 14.4783 14.4783 15.7205 15.7205 16.1886 16.1886 18.2210 18.2210 k = 0.1081 0.1872-0.0000 ( 3847 PWs) bands (ev): -17.9921 -17.9921 -1.7500 -1.7500 -1.5112 -1.5112 -1.4602 -1.4602 3.1337 3.1337 5.3531 5.3531 5.8279 5.8279 5.8981 5.8981 5.9626 5.9626 5.9996 5.9996 6.1386 6.1386 6.1714 6.1714 6.5087 6.5087 6.5893 6.5893 6.6646 6.6646 7.0947 7.0947 7.4335 7.4335 8.0045 8.0045 8.2568 8.2568 8.3316 8.3316 8.5898 8.5898 8.7040 8.7040 8.7969 8.7969 8.9911 8.9911 9.0884 9.0884 9.1602 9.1602 9.6802 9.6802 9.7531 9.7531 10.1195 10.1195 10.5650 10.5650 10.6027 10.6027 12.2557 12.2557 13.3653 13.3653 13.4955 13.4955 14.4326 14.4326 15.5491 15.5491 16.1288 16.1288 18.2696 18.2696 k = 0.0991 0.1716-0.0000 ( 3843 PWs) bands (ev): -17.9921 -17.9921 -1.7493 -1.7493 -1.5100 -1.5100 -1.4598 -1.4598 3.0972 3.0972 5.3301 5.3301 5.8267 5.8267 5.8999 5.8999 5.9585 5.9585 5.9958 5.9958 6.1359 6.1359 6.1668 6.1668 6.5148 6.5148 6.6021 6.6021 6.6518 6.6518 7.1021 7.1021 7.4362 7.4362 8.0064 8.0064 8.2481 8.2481 8.3353 8.3353 8.5878 8.5878 8.7027 8.7027 8.7925 8.7925 9.0037 9.0037 9.0961 9.0961 9.1635 9.1635 9.7205 9.7205 9.7724 9.7724 10.1927 10.1927 10.6049 10.6049 10.6361 10.6361 12.3626 12.3626 13.2782 13.2782 13.4580 13.4580 14.3829 14.3829 15.3810 15.3810 16.0726 16.0726 18.3234 18.3234 k = 0.0901 0.1560-0.0000 ( 3845 PWs) bands (ev): -17.9922 -17.9922 -1.7485 -1.7485 -1.5089 -1.5089 -1.4595 -1.4595 3.0635 3.0635 5.3084 5.3084 5.8237 5.8237 5.9004 5.9004 5.9509 5.9509 5.9940 5.9940 6.1216 6.1216 6.1776 6.1776 6.5219 6.5219 6.6132 6.6132 6.6419 6.6419 7.1079 7.1079 7.4401 7.4401 8.0087 8.0087 8.2391 8.2391 8.3389 8.3389 8.5849 8.5849 8.7014 8.7014 8.7882 8.7882 9.0152 9.0152 9.1036 9.1036 9.1667 9.1667 9.7453 9.7453 9.8036 9.8036 10.2640 10.2640 10.6162 10.6162 10.7006 10.7006 12.4666 12.4666 13.1925 13.1925 13.4307 13.4307 14.3284 14.3284 15.2186 15.2186 16.0194 16.0194 18.3824 18.3824 k = 0.0811 0.1404-0.0000 ( 3841 PWs) bands (ev): -17.9922 -17.9922 -1.7478 -1.7478 -1.5078 -1.5078 -1.4591 -1.4591 3.0327 3.0327 5.2884 5.2884 5.8198 5.8198 5.9000 5.9000 5.9421 5.9421 5.9924 5.9924 6.1056 6.1056 6.1925 6.1925 6.5294 6.5294 6.6165 6.6165 6.6412 6.6412 7.1117 7.1117 7.4450 7.4450 8.0113 8.0113 8.2301 8.2301 8.3422 8.3422 8.5814 8.5814 8.7003 8.7003 8.7839 8.7839 9.0253 9.0253 9.1110 9.1110 9.1698 9.1698 9.7591 9.7591 9.8417 9.8417 10.3322 10.3322 10.6262 10.6262 10.7682 10.7682 12.5665 12.5665 13.1100 13.1100 13.4140 13.4140 14.2678 14.2678 15.0642 15.0642 15.9692 15.9692 18.4467 18.4467 k = 0.0721 0.1248-0.0000 ( 3839 PWs) bands (ev): -17.9922 -17.9922 -1.7472 -1.7472 -1.5068 -1.5068 -1.4588 -1.4588 3.0049 3.0049 5.2701 5.2701 5.8155 5.8155 5.8989 5.8989 5.9334 5.9334 5.9902 5.9902 6.0907 6.0907 6.2076 6.2076 6.5370 6.5370 6.6105 6.6105 6.6513 6.6513 7.1135 7.1135 7.4508 7.4508 8.0144 8.0144 8.2212 8.2212 8.3451 8.3451 8.5776 8.5776 8.6992 8.6992 8.7799 8.7799 9.0343 9.0343 9.1180 9.1180 9.1729 9.1729 9.7687 9.7687 9.8794 9.8794 10.3963 10.3963 10.6364 10.6364 10.8361 10.8361 12.6611 12.6611 13.0319 13.0319 13.4088 13.4088 14.2003 14.2003 14.9195 14.9195 15.9222 15.9222 18.5157 18.5157 k = 0.0631 0.1092-0.0000 ( 3839 PWs) bands (ev): -17.9922 -17.9922 -1.7466 -1.7466 -1.5059 -1.5059 -1.4585 -1.4585 2.9802 2.9802 5.2537 5.2537 5.8110 5.8110 5.8974 5.8974 5.9255 5.9255 5.9873 5.9873 6.0777 6.0777 6.2217 6.2217 6.5444 6.5444 6.6026 6.6026 6.6644 6.6644 7.1135 7.1135 7.4571 7.4571 8.0177 8.0177 8.2126 8.2126 8.3476 8.3476 8.5736 8.5736 8.6983 8.6983 8.7762 8.7762 9.0419 9.0419 9.1246 9.1246 9.1757 9.1757 9.7763 9.7763 9.9141 9.9141 10.4551 10.4551 10.6469 10.6469 10.9027 10.9027 12.7491 12.7491 12.9592 12.9592 13.4162 13.4162 14.1252 14.1252 14.7863 14.7863 15.8789 15.8789 18.5250 18.5250 k = 0.0541 0.0936-0.0000 ( 3831 PWs) bands (ev): -17.9922 -17.9922 -1.7461 -1.7461 -1.5051 -1.5051 -1.4582 -1.4582 2.9586 2.9586 5.2392 5.2392 5.8067 5.8067 5.8957 5.8957 5.9186 5.9186 5.9840 5.9840 6.0668 6.0668 6.2342 6.2342 6.5511 6.5511 6.5953 6.5953 6.6780 6.6780 7.1119 7.1119 7.4636 7.4636 8.0213 8.0213 8.2046 8.2046 8.3497 8.3497 8.5697 8.5697 8.6975 8.6975 8.7728 8.7728 9.0484 9.0484 9.1305 9.1305 9.1784 9.1784 9.7826 9.7826 9.9448 9.9448 10.5077 10.5077 10.6579 10.6579 10.9660 10.9660 12.8293 12.8293 12.8936 12.8936 13.4367 13.4367 14.0429 14.0429 14.6658 14.6658 15.8398 15.8398 18.5146 18.5146 k = 0.0450 0.0780-0.0000 ( 3825 PWs) bands (ev): -17.9922 -17.9922 -1.7456 -1.7456 -1.5044 -1.5044 -1.4580 -1.4580 2.9402 2.9402 5.2268 5.2268 5.8027 5.8027 5.8938 5.8938 5.9131 5.9131 5.9805 5.9805 6.0579 6.0579 6.2447 6.2447 6.5570 6.5570 6.5890 6.5890 6.6912 6.6912 7.1092 7.1092 7.4699 7.4699 8.0249 8.0249 8.1972 8.1972 8.3515 8.3515 8.5660 8.5660 8.6969 8.6969 8.7698 8.7698 9.0538 9.0538 9.1356 9.1356 9.1809 9.1809 9.7878 9.7878 9.9710 9.9710 10.5530 10.5530 10.6693 10.6693 11.0241 11.0241 12.8329 12.8329 12.9047 12.9047 13.4691 13.4691 13.9552 13.9552 14.5586 14.5586 15.8056 15.8056 18.5027 18.5027 k = 0.0360 0.0624-0.0000 ( 3829 PWs) bands (ev): -17.9923 -17.9923 -1.7453 -1.7453 -1.5038 -1.5038 -1.4578 -1.4578 2.9251 2.9251 5.2166 5.2166 5.7991 5.7991 5.8918 5.8918 5.9088 5.9088 5.9770 5.9770 6.0511 6.0511 6.2532 6.2532 6.5620 6.5620 6.5838 6.5838 6.7032 6.7032 7.1058 7.1058 7.4756 7.4756 8.0283 8.0283 8.1906 8.1906 8.3529 8.3529 8.5628 8.5628 8.6963 8.6963 8.7674 8.7674 9.0581 9.0581 9.1399 9.1399 9.1831 9.1831 9.7920 9.7920 9.9926 9.9926 10.5896 10.5896 10.6813 10.6813 11.0750 11.0750 12.7833 12.7833 12.9711 12.9711 13.5105 13.5105 13.8654 13.8654 14.4649 14.4649 15.7766 15.7766 18.4908 18.4908 k = 0.0270 0.0468-0.0000 ( 3809 PWs) bands (ev): -17.9922 -17.9922 -1.7449 -1.7449 -1.5034 -1.5034 -1.4576 -1.4576 2.9133 2.9133 5.2085 5.2085 5.7962 5.7962 5.8900 5.8900 5.9057 5.9057 5.9740 5.9740 6.0460 6.0460 6.2598 6.2598 6.5660 6.5660 6.5797 6.5797 6.7135 6.7135 7.1024 7.1024 7.4805 7.4805 8.0314 8.0314 8.1852 8.1852 8.3540 8.3540 8.5601 8.5601 8.6959 8.6959 8.7654 8.7654 9.0613 9.0613 9.1432 9.1432 9.1849 9.1849 9.7953 9.7953 10.0094 10.0094 10.6167 10.6167 10.6937 10.6937 11.1168 11.1168 12.7429 12.7429 13.0315 13.0315 13.5560 13.5560 13.7789 13.7789 14.3854 14.3854 15.7536 15.7536 18.4803 18.4803 k = 0.0180 0.0312-0.0000 ( 3813 PWs) bands (ev): -17.9923 -17.9923 -1.7447 -1.7447 -1.5030 -1.5030 -1.4575 -1.4575 2.9048 2.9048 5.2028 5.2028 5.7940 5.7940 5.8885 5.8885 5.9037 5.9037 5.9717 5.9717 6.0425 6.0425 6.2644 6.2644 6.5688 6.5688 6.5768 6.5768 6.7214 6.7214 7.0995 7.0995 7.4841 7.4841 8.0338 8.0338 8.1810 8.1810 8.3547 8.3547 8.5581 8.5581 8.6956 8.6956 8.7640 8.7640 9.0636 9.0636 9.1456 9.1456 9.1863 9.1863 9.7976 9.7976 10.0214 10.0214 10.6343 10.6343 10.7053 10.7053 11.1478 11.1478 12.7131 12.7131 13.0840 13.0840 13.5985 13.5985 13.7030 13.7030 14.3225 14.3225 15.7368 15.7368 18.4722 18.4722 k = 0.0090 0.0156-0.0000 ( 3821 PWs) bands (ev): -17.9923 -17.9923 -1.7446 -1.7446 -1.5029 -1.5029 -1.4574 -1.4574 2.8997 2.8997 5.1993 5.1993 5.7927 5.7927 5.8875 5.8875 5.9025 5.9025 5.9702 5.9702 6.0405 6.0405 6.2672 6.2672 6.5705 6.5705 6.5751 6.5751 6.7263 6.7263 7.0975 7.0975 7.4864 7.4864 8.0354 8.0354 8.1784 8.1784 8.3551 8.3551 8.5569 8.5569 8.6954 8.6954 8.7632 8.7632 9.0650 9.0650 9.1471 9.1471 9.1871 9.1871 9.7990 9.7990 10.0285 10.0285 10.6438 10.6438 10.7136 10.7136 11.1670 11.1670 12.6949 12.6949 13.1226 13.1226 13.6296 13.6296 13.6484 13.6484 14.2808 14.2808 15.7266 15.7266 18.4670 18.4670 k = 0.0000 0.0000 0.0000 ( 3821 PWs) bands (ev): -17.9923 -17.9923 -1.7446 -1.7446 -1.5028 -1.5028 -1.4574 -1.4574 2.8980 2.8980 5.1981 5.1981 5.7922 5.7922 5.8871 5.8871 5.9021 5.9021 5.9697 5.9697 6.0399 6.0399 6.2681 6.2681 6.5710 6.5710 6.5745 6.5745 6.7280 6.7280 7.0969 7.0969 7.4872 7.4872 8.0359 8.0359 8.1776 8.1776 8.3553 8.3553 8.5565 8.5565 8.6954 8.6954 8.7629 8.7629 9.0654 9.0654 9.1475 9.1475 9.1874 9.1874 9.7995 9.7995 10.0309 10.0309 10.6468 10.6468 10.7167 10.7167 11.1734 11.1734 12.6888 12.6888 13.1374 13.1374 13.6279 13.6279 13.6412 13.6412 14.2659 14.2659 15.7232 15.7232 18.4652 18.4652 k = 0.0000 0.0000 0.0000 ( 3821 PWs) bands (ev): -17.9923 -17.9923 -1.7446 -1.7446 -1.5028 -1.5028 -1.4574 -1.4574 2.8980 2.8980 5.1981 5.1981 5.7922 5.7922 5.8871 5.8871 5.9021 5.9021 5.9697 5.9697 6.0399 6.0399 6.2681 6.2681 6.5710 6.5710 6.5745 6.5745 6.7280 6.7280 7.0969 7.0969 7.4872 7.4872 8.0359 8.0359 8.1776 8.1776 8.3553 8.3553 8.5565 8.5565 8.6954 8.6954 8.7629 8.7629 9.0654 9.0654 9.1475 9.1475 9.1874 9.1874 9.7995 9.7995 10.0309 10.0309 10.6468 10.6468 10.7167 10.7167 11.1734 11.1734 12.6888 12.6888 13.1374 13.1374 13.6279 13.6279 13.6412 13.6412 14.2659 14.2659 15.7232 15.7232 18.4652 18.4652 k = 0.0000 0.0000 0.0175 ( 3821 PWs) bands (ev): -17.9923 -17.9923 -1.7446 -1.7446 -1.5028 -1.5028 -1.4576 -1.4576 2.8999 2.8999 5.1992 5.1992 5.7930 5.7930 5.8820 5.8820 5.9032 5.9032 5.9697 5.9697 6.0370 6.0370 6.2669 6.2669 6.5537 6.5537 6.5747 6.5747 6.7511 6.7511 7.0967 7.0967 7.4922 7.4922 8.0336 8.0336 8.1767 8.1767 8.3569 8.3569 8.5568 8.5568 8.6919 8.6919 8.7680 8.7680 9.0672 9.0672 9.1486 9.1486 9.1875 9.1875 9.7994 9.7994 10.0293 10.0293 10.6430 10.6430 10.7145 10.7145 11.1738 11.1738 12.6717 12.6717 13.1372 13.1372 13.6291 13.6291 13.6419 13.6419 14.2670 14.2670 15.7381 15.7381 18.4717 18.4717 k = 0.0000 0.0000 0.0351 ( 3815 PWs) bands (ev): -17.9922 -17.9922 -1.7447 -1.7447 -1.5028 -1.5028 -1.4580 -1.4580 2.9053 2.9053 5.2023 5.2023 5.7953 5.7953 5.8666 5.8666 5.9065 5.9065 5.9695 5.9695 6.0292 6.0292 6.2633 6.2633 6.5179 6.5179 6.5753 6.5753 6.8038 6.8038 7.0962 7.0962 7.5070 7.5070 8.0267 8.0267 8.1741 8.1741 8.3616 8.3616 8.5575 8.5575 8.6833 8.6833 8.7816 8.7816 9.0725 9.0725 9.1518 9.1518 9.1875 9.1875 9.7992 9.7992 10.0244 10.0244 10.6315 10.6315 10.7080 10.7080 11.1749 11.1749 12.6218 12.6218 13.1368 13.1368 13.6316 13.6316 13.6453 13.6453 14.2703 14.2703 15.7817 15.7817 18.4913 18.4913 k = 0.0000 0.0000 0.0526 ( 3803 PWs) bands (ev): -17.9922 -17.9922 -1.7449 -1.7449 -1.5028 -1.5028 -1.4587 -1.4587 2.9144 2.9144 5.2076 5.2076 5.7991 5.7991 5.8405 5.8405 5.9120 5.9120 5.9692 5.9692 6.0182 6.0182 6.2578 6.2578 6.4795 6.4795 6.5762 6.5762 6.8692 6.8692 7.0954 7.0954 7.5311 7.5311 8.0156 8.0156 8.1700 8.1700 8.3691 8.3691 8.5588 8.5588 8.6721 8.6721 8.8008 8.8008 9.0810 9.0810 9.1575 9.1575 9.1877 9.1877 9.7990 9.7990 10.0161 10.0161 10.6127 10.6127 10.6976 10.6976 11.1768 11.1768 12.5420 12.5420 13.1361 13.1361 13.6331 13.6331 13.6534 13.6534 14.2758 14.2758 15.8506 15.8506 18.5240 18.5240 k = 0.0000 0.0000 0.0702 ( 3827 PWs) bands (ev): -17.9922 -17.9922 -1.7452 -1.7452 -1.5028 -1.5028 -1.4597 -1.4597 2.9271 2.9271 5.2149 5.2149 5.8042 5.8042 5.8042 5.8042 5.9197 5.9197 5.9684 5.9684 6.0053 6.0053 6.2508 6.2508 6.4432 6.4432 6.5775 6.5775 6.9412 6.9412 7.0940 7.0940 7.5639 7.5639 8.0007 8.0007 8.1646 8.1646 8.3790 8.3790 8.5606 8.5606 8.6592 8.6592 8.8241 8.8241 9.0917 9.0917 9.1664 9.1664 9.1879 9.1879 9.7987 9.7987 10.0042 10.0042 10.5867 10.5867 10.6834 10.6834 11.1794 11.1794 12.4366 12.4366 13.1350 13.1350 13.6331 13.6331 13.6663 13.6663 14.2832 14.2832 15.9402 15.9402 18.5702 18.5702 k = 0.0000 0.0000 0.0877 ( 3833 PWs) bands (ev): -17.9922 -17.9922 -1.7455 -1.7455 -1.5027 -1.5027 -1.4609 -1.4609 2.9433 2.9433 5.2243 5.2243 5.7593 5.7593 5.8105 5.8105 5.9296 5.9296 5.9670 5.9670 5.9910 5.9910 6.2432 6.2432 6.4104 6.4104 6.5792 6.5792 7.0171 7.0171 7.0920 7.0920 7.6046 7.6046 7.9826 7.9826 8.1580 8.1580 8.3911 8.3911 8.5629 8.5629 8.6450 8.6450 8.8508 8.8508 9.1038 9.1038 9.1796 9.1796 9.1881 9.1881 9.7985 9.7985 9.9883 9.9883 10.5541 10.5541 10.6661 10.6661 11.1828 11.1828 12.3104 12.3104 13.1337 13.1337 13.6323 13.6323 13.6831 13.6831 14.2926 14.2926 16.0453 16.0453 18.6299 18.6299 k = 0.0000 0.0000 0.1053 ( 3845 PWs) bands (ev): -17.9921 -17.9921 -1.7460 -1.7460 -1.5027 -1.5027 -1.4624 -1.4624 2.9631 2.9631 5.2358 5.2358 5.7078 5.7078 5.8176 5.8176 5.9416 5.9416 5.9648 5.9648 5.9751 5.9751 6.2357 6.2357 6.3815 6.3815 6.5812 6.5812 7.0893 7.0893 7.0953 7.0953 7.6524 7.6524 7.9620 7.9620 8.1504 8.1504 8.4050 8.4050 8.5658 8.5658 8.6294 8.6294 8.8802 8.8802 9.1159 9.1159 9.1884 9.1884 9.1981 9.1981 9.7986 9.7986 9.9682 9.9682 10.5153 10.5153 10.6462 10.6462 11.1869 11.1869 12.1677 12.1677 13.1321 13.1321 13.6311 13.6311 13.7030 13.7030 14.3035 14.3035 16.1612 16.1612 18.7033 18.7033 k = 0.0000 0.0000 0.1228 ( 3833 PWs) bands (ev): -17.9920 -17.9920 -1.7464 -1.7464 -1.5027 -1.5027 -1.4641 -1.4641 2.9864 2.9864 5.2494 5.2494 5.6516 5.6516 5.8249 5.8249 5.9556 5.9556 5.9571 5.9571 5.9617 5.9617 6.2292 6.2292 6.3567 6.3567 6.5836 6.5836 7.0857 7.0857 7.1747 7.1747 7.7065 7.7065 7.9392 7.9392 8.1420 8.1420 8.4202 8.4202 8.5691 8.5691 8.6124 8.6124 8.9118 8.9118 9.1274 9.1274 9.1887 9.1887 9.2224 9.2224 9.7989 9.7989 9.9435 9.9435 10.4708 10.4708 10.6244 10.6244 11.1919 11.1919 12.0125 12.0125 13.1301 13.1301 13.6294 13.6294 13.7254 13.7254 14.3157 14.3157 16.2837 16.2837 18.7305 18.7305 k = 0.0000 0.0000 0.1404 ( 3821 PWs) bands (ev): -17.9919 -17.9919 -1.7470 -1.7470 -1.5027 -1.5027 -1.4660 -1.4660 3.0130 3.0130 5.2650 5.2650 5.5924 5.5924 5.8317 5.8317 5.9365 5.9365 5.9580 5.9580 5.9718 5.9718 6.2248 6.2248 6.3362 6.3362 6.5863 6.5863 7.0813 7.0813 7.2543 7.2543 7.7663 7.7663 7.9149 7.9149 8.1326 8.1326 8.4364 8.4364 8.5730 8.5730 8.5940 8.5940 8.9453 8.9453 9.1380 9.1380 9.1890 9.1890 9.2526 9.2526 9.7998 9.7998 9.9136 9.9136 10.4213 10.4213 10.6015 10.6015 11.1976 11.1976 11.8481 11.8481 13.1278 13.1278 13.6274 13.6274 13.7498 13.7498 14.3288 14.3288 16.4094 16.4094 18.6039 18.6039 k = 0.0000 0.0000 0.1579 ( 3821 PWs) bands (ev): -17.9918 -17.9918 -1.7476 -1.7476 -1.5026 -1.5026 -1.4681 -1.4681 3.0430 3.0430 5.2827 5.2827 5.5315 5.5315 5.8363 5.8363 5.9132 5.9132 5.9550 5.9550 5.9899 5.9899 6.2230 6.2230 6.3199 6.3199 6.5893 6.5893 7.0760 7.0760 7.3331 7.3331 7.8312 7.8312 7.8894 7.8894 8.1225 8.1225 8.4534 8.4534 8.5742 8.5742 8.5775 8.5775 8.9802 8.9802 9.1479 9.1479 9.1893 9.1893 9.2881 9.2881 9.8014 9.8014 9.8783 9.8783 10.3675 10.3675 10.5780 10.5780 11.2042 11.2042 11.6772 11.6772 13.1252 13.1252 13.6250 13.6250 13.7757 13.7757 14.3424 14.3424 16.5356 16.5356 18.4698 18.4698 k = 0.0000 0.0000 0.1754 ( 3833 PWs) bands (ev): -17.9918 -17.9918 -1.7483 -1.7483 -1.5026 -1.5026 -1.4705 -1.4705 3.0762 3.0762 5.3024 5.3024 5.4699 5.4699 5.8368 5.8368 5.8873 5.8873 5.9545 5.9545 6.0099 6.0099 6.2243 6.2243 6.3077 6.3077 6.5926 6.5926 7.0698 7.0698 7.4105 7.4105 7.8631 7.8631 7.9006 7.9006 8.1116 8.1116 8.4708 8.4708 8.5531 8.5531 8.5824 8.5824 9.0160 9.0160 9.1574 9.1574 9.1895 9.1895 9.3284 9.3284 9.8039 9.8039 9.8373 9.8373 10.3101 10.3101 10.5544 10.5544 11.2116 11.2116 11.5023 11.5023 13.1222 13.1222 13.6222 13.6222 13.8026 13.8026 14.3562 14.3562 16.6605 16.6605 18.3298 18.3299 k = 0.0000 0.0000 0.1930 ( 3827 PWs) bands (ev): -17.9916 -17.9916 -1.7491 -1.7491 -1.5026 -1.5026 -1.4729 -1.4729 3.1126 3.1126 5.3242 5.3242 5.4083 5.4083 5.8314 5.8314 5.8590 5.8590 5.9582 5.9582 6.0318 6.0318 6.2288 6.2288 6.2991 6.2991 6.5962 6.5962 7.0628 7.0628 7.4858 7.4858 7.8363 7.8363 7.9740 7.9740 8.0999 8.0999 8.4884 8.4884 8.5307 8.5307 8.5879 8.5879 9.0524 9.0524 9.1665 9.1665 9.1897 9.1897 9.3729 9.3729 9.7903 9.7903 9.8075 9.8075 10.2498 10.2498 10.5310 10.5310 11.2199 11.2199 11.3255 11.3255 13.1188 13.1188 13.6191 13.6191 13.8300 13.8300 14.3698 14.3698 16.7829 16.7829 18.1854 18.1854 k = 0.0000 0.0000 0.2105 ( 3827 PWs) bands (ev): -17.9915 -17.9915 -1.7499 -1.7499 -1.5025 -1.5025 -1.4755 -1.4755 3.1520 3.1520 5.3474 5.3474 5.3480 5.3480 5.8198 5.8198 5.8288 5.8288 5.9670 5.9670 6.0555 6.0555 6.2365 6.2365 6.2938 6.2938 6.6001 6.6001 7.0551 7.0551 7.5586 7.5586 7.8092 7.8092 8.0508 8.0508 8.0875 8.0875 8.5060 8.5060 8.5071 8.5071 8.5940 8.5940 9.0888 9.0888 9.1750 9.1750 9.1899 9.1899 9.4211 9.4211 9.7374 9.7374 9.8127 9.8127 10.1874 10.1874 10.5077 10.5077 11.1490 11.1490 11.2292 11.2292 13.1151 13.1151 13.6155 13.6155 13.8575 13.8575 14.3829 14.3829 16.9021 16.9021 18.0376 18.0376 k = 0.0000 0.0000 0.2281 ( 3827 PWs) bands (ev): -17.9914 -17.9914 -1.7508 -1.7508 -1.5025 -1.5025 -1.4782 -1.4782 3.1943 3.1943 5.2875 5.2875 5.3738 5.3738 5.7973 5.7973 5.8029 5.8029 5.9802 5.9802 6.0809 6.0809 6.2472 6.2472 6.2914 6.2914 6.6042 6.6042 7.0468 7.0468 7.6284 7.6284 7.7821 7.7821 8.0744 8.0744 8.1303 8.1303 8.4826 8.4826 8.5233 8.5233 8.6005 8.6005 9.1247 9.1247 9.1827 9.1827 9.1900 9.1900 9.4724 9.4724 9.6786 9.6786 9.8196 9.8196 10.1241 10.1241 10.4834 10.4834 10.9755 10.9755 11.2393 11.2393 13.1109 13.1109 13.6115 13.6115 13.8848 13.8848 14.3951 14.3951 17.0178 17.0178 17.8875 17.8875 k = 0.0000 0.0000 0.2456 ( 3827 PWs) bands (ev): -17.9913 -17.9913 -1.7517 -1.7517 -1.5024 -1.5024 -1.4810 -1.4810 3.2394 3.2394 5.2289 5.2289 5.4016 5.4016 5.7650 5.7650 5.7822 5.7822 5.9967 5.9967 6.1078 6.1078 6.2605 6.2605 6.2912 6.2912 6.6087 6.6087 7.0381 7.0381 7.6949 7.6949 7.7550 7.7550 8.0608 8.0608 8.2118 8.2118 8.4574 8.4574 8.5401 8.5401 8.6075 8.6075 9.1591 9.1591 9.1890 9.1890 9.1901 9.1901 9.5263 9.5263 9.6144 9.6144 9.8285 9.8285 10.0608 10.0608 10.4552 10.4552 10.8094 10.8094 11.2505 11.2505 13.1063 13.1063 13.6070 13.6070 13.9115 13.9115 14.4063 14.4063 17.1303 17.1303 17.7358 17.7358 k = 0.0000 0.0000 0.2632 ( 3833 PWs) bands (ev): -17.9912 -17.9912 -1.7527 -1.7527 -1.5024 -1.5024 -1.4839 -1.4839 3.2869 3.2869 5.1720 5.1720 5.4315 5.4315 5.7323 5.7323 5.7590 5.7590 6.0155 6.0155 6.1361 6.1361 6.2762 6.2762 6.2930 6.2930 6.6135 6.6135 7.0292 7.0292 7.7280 7.7280 7.7580 7.7580 8.0468 8.0468 8.2944 8.2944 8.4316 8.4316 8.5562 8.5562 8.6150 8.6150 9.1902 9.1902 9.1904 9.1904 9.1933 9.1933 9.5462 9.5462 9.5819 9.5819 9.8397 9.8397 9.9993 9.9993 10.4136 10.4136 10.6616 10.6616 11.2626 11.2626 13.1013 13.1013 13.6021 13.6021 13.9373 13.9373 14.4162 14.4162 17.2399 17.2399 17.5832 17.5832 k = 0.0000 0.0000 0.2807 ( 3827 PWs) bands (ev): -17.9910 -17.9910 -1.7538 -1.7538 -1.5023 -1.5023 -1.4868 -1.4868 3.3369 3.3369 5.1170 5.1170 5.4633 5.4633 5.6996 5.6996 5.7342 5.7342 6.0360 6.0360 6.1657 6.1657 6.2938 6.2938 6.2964 6.2964 6.6186 6.6186 7.0202 7.0202 7.7014 7.7014 7.8174 7.8174 8.0324 8.0324 8.3774 8.3774 8.4056 8.4056 8.5717 8.5717 8.6230 8.6230 9.1906 9.1906 9.1945 9.1945 9.2148 9.2148 9.4770 9.4770 9.6377 9.6377 9.8535 9.8535 9.9418 9.9418 10.3360 10.3360 10.5563 10.5563 11.2759 11.2759 13.0958 13.0958 13.5966 13.5966 13.9621 13.9621 14.4248 14.4248 17.3471 17.3471 17.4304 17.4304 k = 0.0000 0.0000 0.2983 ( 3839 PWs) bands (ev): -17.9909 -17.9909 -1.7548 -1.7548 -1.5023 -1.5023 -1.4897 -1.4897 3.3890 3.3890 5.0639 5.0639 5.4972 5.4972 5.6673 5.6673 5.7087 5.7087 6.0578 6.0578 6.1963 6.1963 6.3010 6.3010 6.3132 6.3132 6.6242 6.6242 7.0113 7.0113 7.6750 7.6750 7.8732 7.8732 8.0179 8.0179 8.3795 8.3795 8.4593 8.4593 8.5862 8.5862 8.6318 8.6318 9.1912 9.1912 9.1915 9.1915 9.2216 9.2216 9.4169 9.4169 9.6899 9.6899 9.8701 9.8701 9.8932 9.8932 10.2146 10.2146 10.5027 10.5027 11.2902 11.2902 13.0899 13.0899 13.5907 13.5907 13.9857 13.9857 14.4318 14.4318 17.2780 17.2780 17.4401 17.4401 k = 0.0000 0.0000 0.3158 ( 3839 PWs) bands (ev): -17.9908 -17.9908 -1.7559 -1.7559 -1.5022 -1.5022 -1.4926 -1.4926 3.4429 3.4429 5.0131 5.0131 5.5331 5.5331 5.6356 5.6356 5.6828 5.6828 6.0805 6.0805 6.2277 6.2277 6.3066 6.3066 6.3341 6.3341 6.6302 6.6302 7.0027 7.0027 7.6489 7.6489 7.9253 7.9253 8.0034 8.0034 8.3537 8.3537 8.5382 8.5382 8.5998 8.5998 8.6422 8.6422 9.1828 9.1828 9.1894 9.1894 9.1925 9.1925 9.3861 9.3861 9.7265 9.7265 9.8669 9.8669 9.8898 9.8898 10.0767 10.0767 10.4753 10.4753 11.3056 11.3056 13.0835 13.0835 13.5842 13.5842 14.0079 14.0079 14.4372 14.4372 17.1266 17.1266 17.3068 17.3068 k = 0.0000 0.0000 0.3333 ( 3864 PWs) bands (ev): -17.9907 -17.9907 -1.7571 -1.7571 -1.5022 -1.5022 -1.4955 -1.4955 3.4985 3.4985 4.9645 4.9645 5.5710 5.5710 5.6048 5.6048 5.6569 5.6569 6.1038 6.1038 6.2597 6.2597 6.3130 6.3130 6.3560 6.3560 6.6368 6.6368 6.9946 6.9946 7.6232 7.6232 7.9737 7.9737 7.9893 7.9893 8.3284 8.3284 8.6067 8.6067 8.6125 8.6125 8.6604 8.6604 9.1148 9.1148 9.1667 9.1667 9.1949 9.1949 9.3861 9.3861 9.7276 9.7276 9.8842 9.8842 9.9126 9.9126 9.9408 9.9408 10.4580 10.4580 11.3221 11.3221 13.0767 13.0767 13.5772 13.5772 14.0287 14.0287 14.4411 14.4411 16.9767 16.9767 17.1770 17.1770 k = 0.0000 0.0000 0.3509 ( 3852 PWs) bands (ev): -17.9905 -17.9905 -1.7582 -1.7582 -1.5021 -1.5021 -1.4983 -1.4983 3.5553 3.5553 4.9183 4.9183 5.5750 5.5750 5.6110 5.6110 5.6316 5.6316 6.1275 6.1275 6.2918 6.2918 6.3200 6.3200 6.3788 6.3788 6.6442 6.6442 6.9871 6.9871 7.5979 7.5979 7.9756 7.9756 8.0185 8.0185 8.3040 8.3040 8.6241 8.6241 8.6403 8.6403 8.7094 8.7094 9.0166 9.0166 9.1420 9.1420 9.1990 9.1990 9.3950 9.3950 9.7066 9.7066 9.8164 9.8164 9.9326 9.9326 9.9385 9.9385 10.4455 10.4455 11.3398 11.3398 13.0694 13.0694 13.5696 13.5696 14.0480 14.0480 14.4435 14.4435 16.8290 16.8290 17.0514 17.0514 k = 0.0000 0.0000 0.3684 ( 3852 PWs) bands (ev): -17.9904 -17.9904 -1.7593 -1.7593 -1.5021 -1.5021 -1.5010 -1.5010 3.6129 3.6129 4.8746 4.8746 5.5465 5.5465 5.6069 5.6069 5.6531 5.6531 6.1513 6.1513 6.3237 6.3237 6.3273 6.3273 6.4020 6.4020 6.6524 6.6524 6.9804 6.9804 7.5728 7.5728 7.9628 7.9628 8.0597 8.0597 8.2807 8.2807 8.6346 8.6346 8.6526 8.6526 8.7739 8.7739 8.9054 8.9054 9.1082 9.1082 9.2058 9.2058 9.3950 9.3950 9.6848 9.6848 9.7132 9.7132 9.9676 9.9676 9.9910 9.9910 10.4357 10.4357 11.3586 11.3586 13.0617 13.0617 13.5616 13.5616 14.0658 14.0658 14.4445 14.4445 16.6841 16.6841 16.9304 16.9304 k = 0.0000 0.0000 0.3860 ( 3852 PWs) bands (ev): -17.9903 -17.9903 -1.7605 -1.7605 -1.5037 -1.5037 -1.5021 -1.5021 3.6711 3.6711 4.8334 4.8334 5.5194 5.5194 5.5830 5.5830 5.6973 5.6973 6.1750 6.1750 6.3349 6.3349 6.3550 6.3550 6.4254 6.4254 6.6618 6.6618 6.9748 6.9748 7.5481 7.5481 7.9511 7.9511 8.0976 8.0976 8.2588 8.2588 8.6439 8.6439 8.6610 8.6610 8.7856 8.7856 8.8348 8.8348 9.0658 9.0658 9.2164 9.2164 9.3689 9.3689 9.6457 9.6457 9.6686 9.6686 9.9995 9.9995 10.0524 10.0524 10.4276 10.4276 11.3785 11.3785 13.0537 13.0537 13.5531 13.5531 14.0822 14.0822 14.4442 14.4442 16.5427 16.5427 16.8146 16.8146 k = 0.0000 0.0000 0.4035 ( 3858 PWs) bands (ev): -17.9902 -17.9902 -1.7616 -1.7616 -1.5062 -1.5062 -1.5020 -1.5020 3.7293 3.7293 4.7949 4.7949 5.4938 5.4938 5.5603 5.5603 5.7437 5.7437 6.1984 6.1984 6.3426 6.3426 6.3850 6.3850 6.4485 6.4485 6.6727 6.6727 6.9702 6.9702 7.5236 7.5236 7.9409 7.9409 8.1321 8.1321 8.2382 8.2382 8.6519 8.6519 8.6601 8.6601 8.6678 8.6678 8.8876 8.8876 9.0162 9.0162 9.2323 9.2323 9.3089 9.3089 9.6201 9.6201 9.6587 9.6587 10.0341 10.0341 10.1143 10.1143 10.4210 10.4210 11.3993 11.3993 13.0454 13.0454 13.5441 13.5441 14.0972 14.0972 14.4428 14.4428 16.4053 16.4053 16.7044 16.7044 k = 0.0000 0.0000 0.4211 ( 3870 PWs) bands (ev): -17.9901 -17.9901 -1.7627 -1.7627 -1.5086 -1.5086 -1.5020 -1.5020 3.7869 3.7869 4.7590 4.7590 5.4698 5.4698 5.5388 5.5388 5.7922 5.7922 6.2213 6.2213 6.3502 6.3502 6.4133 6.4133 6.4710 6.4710 6.6853 6.6853 6.9669 6.9669 7.4993 7.4993 7.9326 7.9326 8.1635 8.1635 8.2184 8.2184 8.5323 8.5323 8.6584 8.6584 8.6735 8.6735 8.9302 8.9302 8.9613 8.9613 9.2285 9.2285 9.2545 9.2545 9.6218 9.6218 9.6544 9.6544 10.0708 10.0708 10.1754 10.1754 10.4153 10.4153 11.4211 11.4211 13.0368 13.0368 13.5348 13.5348 14.1108 14.1108 14.4404 14.4404 16.2728 16.2728 16.6002 16.6002 k = 0.0000 0.0000 0.4386 ( 3864 PWs) bands (ev): -17.9899 -17.9899 -1.7638 -1.7638 -1.5109 -1.5109 -1.5019 -1.5019 3.8436 3.8436 4.7258 4.7258 5.4475 5.4475 5.5186 5.5186 5.8429 5.8429 6.2435 6.2435 6.3577 6.3577 6.4392 6.4392 6.4925 6.4925 6.6999 6.6999 6.9648 6.9648 7.4752 7.4752 7.9265 7.9265 8.1920 8.1920 8.1968 8.1968 8.4071 8.4071 8.6628 8.6628 8.6781 8.6781 8.9036 8.9036 8.9623 8.9623 9.1418 9.1418 9.2830 9.2830 9.6352 9.6352 9.6543 9.6543 10.1090 10.1090 10.2350 10.2350 10.4105 10.4105 11.4435 11.4435 13.0281 13.0281 13.5253 13.5253 14.1231 14.1231 14.4372 14.4372 16.1458 16.1458 16.5026 16.5026 k = 0.0000 0.0000 0.4562 ( 3840 PWs) bands (ev): -17.9898 -17.9898 -1.7647 -1.7647 -1.5130 -1.5130 -1.5019 -1.5019 3.8985 3.8985 4.6954 4.6954 5.4269 5.4269 5.4998 5.4998 5.8957 5.8957 6.2648 6.2648 6.3649 6.3649 6.4622 6.4622 6.5126 6.5126 6.7167 6.7167 6.9640 6.9640 7.4512 7.4512 7.9231 7.9231 8.1618 8.1618 8.2177 8.2177 8.2987 8.2987 8.6638 8.6638 8.6817 8.6817 8.8459 8.8459 8.9848 8.9848 9.0553 9.0553 9.3163 9.3163 9.6530 9.6530 9.6572 9.6572 10.1481 10.1481 10.2922 10.2922 10.4064 10.4064 11.4664 11.4664 13.0194 13.0194 13.5156 13.5156 14.1342 14.1342 14.4334 14.4334 16.0253 16.0253 16.4120 16.4120 k = 0.0000 0.0000 0.4737 ( 3840 PWs) bands (ev): -17.9897 -17.9897 -1.7657 -1.7657 -1.5149 -1.5149 -1.5018 -1.5018 3.9512 3.9512 4.6678 4.6678 5.4081 5.4081 5.4827 5.4827 5.9506 5.9506 6.2850 6.2850 6.3718 6.3718 6.4822 6.4822 6.5311 6.5311 6.7357 6.7357 6.9644 6.9644 7.4269 7.4269 7.9227 7.9227 8.0832 8.0832 8.2394 8.2394 8.2408 8.2408 8.6579 8.6579 8.6844 8.6844 8.7931 8.7931 8.9714 8.9714 8.9999 8.9999 9.3522 9.3522 9.6621 9.6621 9.6719 9.6719 10.1872 10.1872 10.3465 10.3465 10.4030 10.4030 11.4894 11.4894 13.0108 13.0108 13.5060 13.5060 14.1441 14.1441 14.4292 14.4292 15.9119 15.9119 16.3286 16.3286 k = 0.0000 0.0000 0.4913 ( 3852 PWs) bands (ev): -17.9896 -17.9896 -1.7666 -1.7666 -1.5167 -1.5167 -1.5018 -1.5018 4.0010 4.0010 4.6430 4.6430 5.3912 5.3912 5.4671 5.4671 6.0072 6.0072 6.3039 6.3039 6.3781 6.3781 6.4990 6.4990 6.5477 6.5477 6.7566 6.7566 6.9659 6.9659 7.4020 7.4020 7.9256 7.9256 7.9721 7.9721 8.2206 8.2206 8.2613 8.2613 8.6375 8.6375 8.6862 8.6862 8.7539 8.7539 8.8910 8.8910 9.0095 9.0095 9.3884 9.3884 9.6681 9.6681 9.6904 9.6904 10.2255 10.2255 10.3972 10.3972 10.4000 10.4000 11.5122 11.5122 13.0025 13.0025 13.4965 13.4965 14.1529 14.1529 14.4249 14.4249 15.8067 15.8067 16.2529 16.2529 k = 0.0000 0.0000 0.5088 ( 3840 PWs) bands (ev): -17.9895 -17.9895 -1.7674 -1.7674 -1.5182 -1.5182 -1.5018 -1.5018 4.0470 4.0470 4.6211 4.6211 5.3761 5.3761 5.4532 5.4532 6.0652 6.0652 6.3212 6.3212 6.3840 6.3840 6.5128 6.5128 6.5622 6.5622 6.7790 6.7790 6.9682 6.9682 7.3758 7.3758 7.8569 7.8569 7.9321 7.9321 8.2166 8.2166 8.2794 8.2794 8.5980 8.5980 8.6871 8.6871 8.7342 8.7342 8.8145 8.8145 9.0157 9.0157 9.4229 9.4229 9.6746 9.6746 9.7077 9.7077 10.2621 10.2621 10.3975 10.3975 10.4438 10.4438 11.5342 11.5342 12.9946 12.9946 13.4874 13.4874 14.1607 14.1607 14.4205 14.4205 15.7106 15.7106 16.1852 16.1852 k = 0.0000 0.0000 0.5263 ( 3858 PWs) bands (ev): -17.9895 -17.9895 -1.7681 -1.7681 -1.5196 -1.5196 -1.5018 -1.5018 4.0887 4.0887 4.6021 4.6021 5.3631 5.3631 5.4411 5.4411 6.1239 6.1239 6.3367 6.3367 6.3892 6.3892 6.5238 6.5238 6.5746 6.5746 6.8025 6.8025 6.9710 6.9710 7.3469 7.3469 7.7479 7.7479 7.9422 7.9422 8.2203 8.2203 8.2951 8.2951 8.5472 8.5472 8.6874 8.6874 8.7270 8.7270 8.7423 8.7423 9.0194 9.0194 9.4545 9.4545 9.6810 9.6810 9.7233 9.7233 10.2961 10.2961 10.3954 10.3954 10.4855 10.4855 11.5550 11.5550 12.9873 12.9873 13.4789 13.4789 14.1674 14.1674 14.4163 14.4163 15.6247 15.6247 16.1259 16.1259 k = 0.0000 0.0000 0.5439 ( 3858 PWs) bands (ev): -17.9894 -17.9894 -1.7688 -1.7688 -1.5208 -1.5208 -1.5017 -1.5017 4.1254 4.1254 4.5859 4.5859 5.3519 5.3519 5.4308 5.4308 6.1821 6.1821 6.3503 6.3503 6.3937 6.3937 6.5325 6.5325 6.5850 6.5850 6.8267 6.8267 6.9740 6.9740 7.3131 7.3131 7.6511 7.6511 7.9557 7.9557 8.2299 8.2299 8.3085 8.3085 8.4939 8.4939 8.6747 8.6747 8.6872 8.6872 8.7249 8.7249 9.0217 9.0217 9.4822 9.4822 9.6870 9.6870 9.7370 9.7370 10.3265 10.3265 10.3938 10.3938 10.5219 10.5219 11.5740 11.5740 12.9809 12.9809 13.4712 13.4712 14.1731 14.1731 14.4125 14.4125 15.5498 15.5498 16.0752 16.0752 k = 0.0000 0.0000 0.5614 ( 3882 PWs) bands (ev): -17.9894 -17.9894 -1.7693 -1.7693 -1.5217 -1.5217 -1.5018 -1.5018 4.1563 4.1563 4.5727 4.5727 5.3428 5.3428 5.4222 5.4222 6.2378 6.2378 6.3617 6.3617 6.3975 6.3975 6.5391 6.5391 6.5932 6.5932 6.8513 6.8513 6.9770 6.9770 7.2716 7.2716 7.5720 7.5720 7.9721 7.9721 8.2446 8.2446 8.3195 8.3195 8.4426 8.4426 8.6122 8.6122 8.6866 8.6866 8.7246 8.7246 9.0230 9.0230 9.5054 9.5054 9.6922 9.6922 9.7484 9.7484 10.3526 10.3526 10.3924 10.3924 10.5525 10.5525 11.5905 11.5905 12.9753 12.9753 13.4645 13.4645 14.1777 14.1777 14.4091 14.4091 15.4869 15.4869 16.0334 16.0334 k = 0.0000 0.0000 0.5790 ( 3882 PWs) bands (ev): -17.9894 -17.9894 -1.7697 -1.7697 -1.5225 -1.5225 -1.5017 -1.5017 4.1811 4.1811 4.5624 4.5624 5.3357 5.3357 5.4156 5.4156 6.2884 6.2884 6.3707 6.3707 6.4005 6.4005 6.5440 6.5440 6.5995 6.5995 6.8765 6.8765 6.9795 6.9795 7.2218 7.2218 7.5144 7.5144 7.9900 7.9900 8.2635 8.2635 8.3282 8.3282 8.3963 8.3963 8.5558 8.5558 8.6859 8.6859 8.7250 8.7250 9.0238 9.0238 9.5238 9.5238 9.6965 9.6965 9.7574 9.7574 10.3737 10.3737 10.3914 10.3914 10.5767 10.5767 11.6041 11.6041 12.9709 12.9709 13.4591 13.4591 14.1814 14.1814 14.4064 14.4064 15.4370 15.4370 16.0006 16.0006 k = 0.0000 0.0000 0.5965 ( 3882 PWs) bands (ev): -17.9893 -17.9893 -1.7700 -1.7700 -1.5230 -1.5230 -1.5017 -1.5017 4.1991 4.1991 4.5550 4.5550 5.3306 5.3306 5.4108 5.4108 6.3299 6.3299 6.3773 6.3773 6.4027 6.4027 6.5472 6.5472 6.6040 6.6040 6.9021 6.9021 6.9815 6.9815 7.1690 7.1690 7.4777 7.4777 8.0072 8.0072 8.2852 8.2852 8.3344 8.3344 8.3583 8.3583 8.5073 8.5073 8.6853 8.6853 8.7255 8.7255 9.0242 9.0242 9.5371 9.5371 9.6997 9.6997 9.7639 9.7639 10.3892 10.3892 10.3906 10.3906 10.5944 10.5944 11.6142 11.6142 12.9676 12.9676 13.4551 13.4551 14.1840 14.1840 14.4044 14.4044 15.4007 15.4007 15.9771 15.9771 k = 0.0000 0.0000 0.6141 ( 3870 PWs) bands (ev): -17.9893 -17.9893 -1.7702 -1.7702 -1.5234 -1.5234 -1.5017 -1.5017 4.2101 4.2101 4.5506 4.5506 5.3275 5.3275 5.4080 5.4080 6.3576 6.3576 6.3813 6.3813 6.4040 6.4040 6.5492 6.5492 6.6066 6.6066 6.9251 6.9251 6.9828 6.9828 7.1244 7.1244 7.4579 7.4579 8.0202 8.0202 8.3052 8.3052 8.3326 8.3326 8.3382 8.3382 8.4710 8.4710 8.6849 8.6849 8.7258 8.7258 9.0244 9.0244 9.5451 9.5451 9.7017 9.7017 9.7678 9.7678 10.3902 10.3902 10.3987 10.3987 10.6050 10.6050 11.6204 11.6204 12.9657 12.9657 13.4526 13.4526 14.1855 14.1855 14.4031 14.4031 15.3787 15.3787 15.9630 15.9630 k = 0.0000 0.0000 0.6316 ( 3882 PWs) bands (ev): -17.9893 -17.9893 -1.7703 -1.7703 -1.5235 -1.5235 -1.5017 -1.5017 4.2137 4.2137 4.5491 4.5491 5.3265 5.3265 5.4070 5.4070 6.3674 6.3674 6.3826 6.3826 6.4044 6.4044 6.5498 6.5498 6.6075 6.6075 6.9358 6.9358 6.9832 6.9832 7.1056 7.1056 7.4517 7.4517 8.0252 8.0252 8.3144 8.3144 8.3234 8.3234 8.3394 8.3394 8.4564 8.4564 8.6847 8.6847 8.7259 8.7259 9.0245 9.0245 9.5478 9.5478 9.7023 9.7023 9.7692 9.7692 10.3901 10.3901 10.4019 10.4019 10.6086 10.6086 11.6226 11.6226 12.9650 12.9650 13.4518 13.4518 14.1861 14.1861 14.4027 14.4027 15.3713 15.3713 15.9582 15.9582 k = 0.0000 0.0000 0.6316 ( 3882 PWs) bands (ev): -17.9893 -17.9893 -1.7703 -1.7703 -1.5235 -1.5235 -1.5017 -1.5017 4.2137 4.2137 4.5491 4.5491 5.3265 5.3265 5.4070 5.4070 6.3674 6.3674 6.3826 6.3826 6.4044 6.4044 6.5498 6.5498 6.6075 6.6075 6.9358 6.9358 6.9832 6.9832 7.1056 7.1056 7.4517 7.4517 8.0252 8.0252 8.3144 8.3144 8.3234 8.3234 8.3394 8.3394 8.4564 8.4564 8.6847 8.6847 8.7259 8.7259 9.0245 9.0245 9.5478 9.5478 9.7023 9.7023 9.7692 9.7692 10.3901 10.3901 10.4019 10.4019 10.6086 10.6086 11.6226 11.6226 12.9650 12.9650 13.4518 13.4518 14.1861 14.1861 14.4027 14.4027 15.3713 15.3713 15.9582 15.9582 k = 0.0152 0.0087 0.6316 ( 3862 PWs) bands (ev): -17.9893 -17.9893 -1.7702 -1.7702 -1.5234 -1.5234 -1.5017 -1.5017 4.2153 4.2153 4.5498 4.5498 5.3270 5.3270 5.4076 5.4076 6.3639 6.3639 6.3870 6.3870 6.4046 6.4046 6.5501 6.5501 6.6072 6.6072 6.9339 6.9339 6.9825 6.9825 7.1054 7.1054 7.4521 7.4521 8.0255 8.0255 8.3136 8.3136 8.3230 8.3230 8.3392 8.3392 8.4603 8.4603 8.6844 8.6844 8.7256 8.7256 9.0232 9.0232 9.5469 9.5469 9.7021 9.7021 9.7690 9.7690 10.3876 10.3876 10.4003 10.4003 10.6065 10.6065 11.6173 11.6173 12.9633 12.9633 13.4487 13.4487 14.1845 14.1845 14.4013 14.4013 15.3809 15.3809 15.9670 15.9670 k = 0.0303 0.0175 0.6316 ( 3862 PWs) bands (ev): -17.9893 -17.9893 -1.7702 -1.7702 -1.5234 -1.5234 -1.5017 -1.5017 4.2201 4.2201 4.5520 4.5520 5.3287 5.3287 5.4094 5.4094 6.3577 6.3577 6.3958 6.3958 6.4052 6.4052 6.5512 6.5512 6.6063 6.6063 6.9282 6.9282 6.9804 6.9804 7.1047 7.1047 7.4534 7.4534 8.0263 8.0263 8.3073 8.3073 8.3259 8.3259 8.3388 8.3388 8.4713 8.4713 8.6833 8.6833 8.7248 8.7248 9.0193 9.0193 9.5441 9.5441 9.7015 9.7015 9.7684 9.7684 10.3793 10.3793 10.3962 10.3962 10.6001 10.6001 11.6019 11.6019 12.9579 12.9579 13.4401 13.4401 14.1799 14.1799 14.3975 14.3975 15.4094 15.4094 15.9921 15.9921 k = 0.0455 0.0262 0.6316 ( 3858 PWs) bands (ev): -17.9893 -17.9893 -1.7702 -1.7702 -1.5233 -1.5233 -1.5018 -1.5018 4.2280 4.2280 4.5556 4.5556 5.3315 5.3315 5.4125 5.4125 6.3512 6.3512 6.4056 6.4056 6.4070 6.4070 6.5529 6.5529 6.6049 6.6049 6.9190 6.9190 6.9769 6.9769 7.1035 7.1035 7.4555 7.4555 8.0277 8.0277 8.2963 8.2963 8.3319 8.3319 8.3395 8.3395 8.4874 8.4874 8.6811 8.6811 8.7239 8.7239 9.0129 9.0129 9.5396 9.5396 9.7005 9.7005 9.7677 9.7677 10.3647 10.3647 10.3901 10.3901 10.5896 10.5896 11.5767 11.5767 12.9484 12.9484 13.4273 13.4273 14.1724 14.1724 14.3924 14.3924 15.4555 15.4555 16.0306 16.0306 k = 0.0606 0.0350 0.6316 ( 3854 PWs) bands (ev): -17.9892 -17.9892 -1.7702 -1.7702 -1.5232 -1.5232 -1.5019 -1.5019 4.2390 4.2390 4.5606 4.5606 5.3354 5.3354 5.4168 5.4168 6.3448 6.3448 6.4073 6.4073 6.4186 6.4186 6.5554 6.5554 6.6030 6.6030 6.9065 6.9065 6.9720 6.9720 7.1019 7.1019 7.4586 7.4586 8.0299 8.0299 8.2829 8.2829 8.3339 8.3339 8.3469 8.3469 8.5067 8.5067 8.6773 8.6773 8.7235 8.7235 9.0040 9.0040 9.5333 9.5333 9.6990 9.6990 9.7668 9.7668 10.3438 10.3438 10.3817 10.3817 10.5756 10.5756 11.5428 11.5428 12.9339 12.9339 13.4121 13.4121 14.1624 14.1624 14.3871 14.3871 15.5174 15.5174 16.0789 16.0789 k = 0.0758 0.0437 0.6316 ( 3850 PWs) bands (ev): -17.9892 -17.9892 -1.7701 -1.7701 -1.5231 -1.5231 -1.5021 -1.5021 4.2531 4.2531 4.5670 4.5670 5.3402 5.3402 5.4224 5.4224 6.3383 6.3383 6.4089 6.4089 6.4319 6.4319 6.5585 6.5585 6.6006 6.6006 6.8910 6.8910 6.9658 6.9658 7.1000 7.1000 7.4628 7.4628 8.0330 8.0330 8.2686 8.2686 8.3326 8.3326 8.3597 8.3597 8.5279 8.5279 8.6716 8.6716 8.7241 8.7241 8.9926 8.9926 9.5253 9.5253 9.6971 9.6971 9.7661 9.7661 10.3171 10.3171 10.3700 10.3700 10.5586 10.5586 11.5011 11.5011 12.9137 12.9137 13.3967 13.3967 14.1508 14.1508 14.3826 14.3826 15.5929 15.5929 16.1338 16.1338 k = 0.0909 0.0525 0.6316 ( 3850 PWs) bands (ev): -17.9892 -17.9892 -1.7701 -1.7701 -1.5229 -1.5229 -1.5022 -1.5022 4.2701 4.2701 4.5749 4.5749 5.3461 5.3461 5.4292 5.4292 6.3316 6.3316 6.4110 6.4110 6.4463 6.4463 6.5623 6.5623 6.5979 6.5979 6.8730 6.8730 6.9584 6.9584 7.0980 7.0980 7.4683 7.4683 8.0369 8.0369 8.2538 8.2538 8.3305 8.3305 8.3746 8.3746 8.5501 8.5501 8.6638 8.6638 8.7259 8.7259 8.9789 8.9789 9.5155 9.5155 9.6947 9.6947 9.7657 9.7657 10.2851 10.2851 10.3537 10.3537 10.5397 10.5397 11.4531 11.4531 12.8869 12.8869 13.3833 13.3833 14.1383 14.1383 14.3795 14.3795 15.6800 15.6800 16.1936 16.1936 k = 0.1061 0.0612 0.6316 ( 3852 PWs) bands (ev): -17.9892 -17.9892 -1.7700 -1.7700 -1.5228 -1.5228 -1.5024 -1.5024 4.2902 4.2902 4.5841 4.5841 5.3529 5.3529 5.4374 5.4374 6.3244 6.3244 6.4134 6.4134 6.4614 6.4614 6.5664 6.5664 6.5953 6.5953 6.8528 6.8528 6.9498 6.9498 7.0963 7.0963 7.4750 7.4750 8.0415 8.0415 8.2389 8.2389 8.3278 8.3278 8.3909 8.3909 8.5722 8.5722 8.6544 8.6544 8.7291 8.7291 8.9631 8.9631 9.5042 9.5042 9.6917 9.6917 9.7660 9.7660 10.2485 10.2485 10.3314 10.3314 10.5204 10.5204 11.4003 11.4003 12.8531 12.8531 13.3732 13.3732 14.1258 14.1258 14.3779 14.3779 15.7764 15.7764 16.2581 16.2581 k = 0.1212 0.0700 0.6316 ( 3852 PWs) bands (ev): -17.9892 -17.9892 -1.7699 -1.7699 -1.5226 -1.5226 -1.5026 -1.5026 4.3131 4.3131 4.5947 4.5947 5.3606 5.3606 5.4468 5.4468 6.3165 6.3165 6.4162 6.4162 6.4767 6.4767 6.5698 6.5698 6.5940 6.5940 6.8311 6.8311 6.9400 6.9400 7.0950 7.0950 7.4830 7.4830 8.0467 8.0467 8.2242 8.2242 8.3246 8.3246 8.4075 8.4075 8.5928 8.5928 8.6444 8.6444 8.7335 8.7335 8.9456 8.9456 9.4913 9.4913 9.6881 9.6881 9.7672 9.7672 10.2078 10.2078 10.3017 10.3017 10.5020 10.5020 11.3442 11.3442 12.8125 12.8125 13.3673 13.3673 14.1143 14.1143 14.3777 14.3777 15.8802 15.8802 16.3277 16.3277 k = 0.1364 0.0787 0.6316 ( 3868 PWs) bands (ev): -17.9892 -17.9892 -1.7699 -1.7699 -1.5224 -1.5224 -1.5028 -1.5028 4.3387 4.3387 4.6067 4.6067 5.3691 5.3691 5.4575 5.4575 6.3076 6.3076 6.4193 6.4193 6.4916 6.4916 6.5708 6.5708 6.5963 6.5963 6.8083 6.8083 6.9294 6.9294 7.0947 7.0947 7.4925 7.4925 8.0521 8.0521 8.2098 8.2098 8.3210 8.3210 8.4235 8.4235 8.6075 8.6075 8.6378 8.6378 8.7388 8.7388 8.9272 8.9272 9.4770 9.4770 9.6839 9.6839 9.7694 9.7694 10.1637 10.1637 10.2638 10.2638 10.4856 10.4856 11.2862 11.2862 12.7655 12.7655 13.3659 13.3659 14.1043 14.1043 14.3787 14.3787 15.9894 15.9894 16.4026 16.4026 k = 0.1515 0.0875 0.6316 ( 3872 PWs) bands (ev): -17.9892 -17.9892 -1.7698 -1.7698 -1.5222 -1.5222 -1.5030 -1.5030 4.3669 4.3669 4.6200 4.6200 5.3786 5.3786 5.4693 5.4693 6.2975 6.2975 6.4228 6.4228 6.5049 6.5049 6.5686 6.5686 6.6035 6.6035 6.7850 6.7850 6.9182 6.9182 7.0956 7.0956 7.5035 7.5035 8.0573 8.0573 8.1960 8.1960 8.3170 8.3170 8.4376 8.4376 8.6064 8.6064 8.6447 8.6447 8.7443 8.7443 8.9092 8.9092 9.4615 9.4615 9.6788 9.6788 9.7725 9.7725 10.1171 10.1171 10.2178 10.2178 10.4716 10.4716 11.2276 11.2276 12.7129 12.7129 13.3688 13.3688 14.0962 14.0962 14.3806 14.3806 16.1023 16.1023 16.4832 16.4832 k = 0.1667 0.0962 0.6316 ( 3870 PWs) bands (ev): -17.9892 -17.9892 -1.7697 -1.7697 -1.5220 -1.5220 -1.5032 -1.5032 4.3976 4.3976 4.6346 4.6346 5.3889 5.3889 5.4824 5.4824 6.2859 6.2859 6.4266 6.4266 6.5152 6.5152 6.5652 6.5652 6.6147 6.6147 6.7620 6.7620 6.9066 6.9066 7.0981 7.0981 7.5158 7.5158 8.0617 8.0617 8.1831 8.1831 8.3127 8.3127 8.4476 8.4476 8.5963 8.5963 8.6586 8.6586 8.7491 8.7491 8.8938 8.8938 9.4447 9.4447 9.6727 9.6727 9.7764 9.7764 10.0693 10.0693 10.1647 10.1647 10.4596 10.4596 11.1694 11.1694 12.6558 12.6558 13.3753 13.3753 14.0902 14.0902 14.3830 14.3830 16.2169 16.2169 16.5689 16.5689 k = 0.1818 0.1050 0.6316 ( 3878 PWs) bands (ev): -17.9892 -17.9892 -1.7696 -1.7696 -1.5218 -1.5218 -1.5034 -1.5034 4.4305 4.4305 4.6504 4.6504 5.4001 5.4001 5.4965 5.4965 6.2726 6.2726 6.4305 6.4305 6.5204 6.5204 6.5627 6.5627 6.6291 6.6291 6.7402 6.7402 6.8951 6.8951 7.1024 7.1024 7.5296 7.5296 8.0644 8.0644 8.1716 8.1716 8.3082 8.3082 8.4510 8.4510 8.5854 8.5854 8.6719 8.6719 8.7517 8.7517 8.8835 8.8835 9.4270 9.4270 9.6652 9.6652 9.7803 9.7803 10.0220 10.0220 10.1060 10.1060 10.4493 10.4493 11.1124 11.1124 12.5949 12.5949 13.3849 13.3849 14.0864 14.0864 14.3858 14.3858 16.3316 16.3316 16.6592 16.6592 k = 0.1970 0.1137 0.6316 ( 3880 PWs) bands (ev): -17.9892 -17.9892 -1.7695 -1.7695 -1.5216 -1.5216 -1.5036 -1.5036 4.4655 4.4655 4.6675 4.6675 5.4124 5.4124 5.5116 5.5116 6.2573 6.2573 6.4343 6.4343 6.5196 6.5196 6.5622 6.5622 6.6458 6.6458 6.7205 6.7205 6.8841 6.8841 7.1087 7.1087 7.5448 7.5448 8.0643 8.0643 8.1622 8.1622 8.3034 8.3034 8.4454 8.4454 8.5751 8.5751 8.6831 8.6831 8.7519 8.7519 8.8806 8.8806 9.4084 9.4084 9.6555 9.6555 9.7823 9.7823 9.9778 9.9778 10.0439 10.0439 10.4403 10.4403 11.0570 11.0570 12.5311 12.5311 13.3970 13.3970 14.0847 14.0847 14.3888 14.3888 16.4447 16.4447 16.7526 16.7526 k = 0.2121 0.1225 0.6316 ( 3880 PWs) bands (ev): -17.9891 -17.9891 -1.7695 -1.7695 -1.5214 -1.5214 -1.5037 -1.5037 4.5023 4.5023 4.6858 4.6858 5.4257 5.4257 5.5275 5.5275 6.2397 6.2397 6.4374 6.4374 6.5145 6.5145 6.5625 6.5625 6.6633 6.6633 6.7047 6.7047 6.8742 6.8742 7.1173 7.1173 7.5613 7.5613 8.0605 8.0605 8.1553 8.1553 8.2987 8.2987 8.4300 8.4300 8.5635 8.5635 8.6926 8.6926 8.7521 8.7521 8.8851 8.8851 9.3891 9.3891 9.6427 9.6427 9.7785 9.7785 9.9416 9.9416 9.9809 9.9809 10.4321 10.4321 11.0035 11.0035 12.4649 12.4649 13.4112 13.4112 14.0849 14.0849 14.3917 14.3917 16.5542 16.5542 16.8477 16.8477 k = 0.2273 0.1312 0.6316 ( 3874 PWs) bands (ev): -17.9891 -17.9891 -1.7694 -1.7694 -1.5212 -1.5212 -1.5039 -1.5039 4.5406 4.5406 4.7053 4.7053 5.4401 5.4401 5.5442 5.5442 6.2199 6.2199 6.4389 6.4389 6.5078 6.5078 6.5616 6.5616 6.6764 6.6764 6.6977 6.6977 6.8659 6.8659 7.1284 7.1284 7.5791 7.5791 8.0523 8.0523 8.1511 8.1511 8.2940 8.2940 8.4053 8.4053 8.5480 8.5480 8.7011 8.7011 8.7550 8.7550 8.8948 8.8948 9.3692 9.3692 9.6250 9.6250 9.7625 9.7625 9.9191 9.9191 9.9217 9.9217 10.4246 10.4246 10.9520 10.9520 12.3971 12.3971 13.4270 13.4270 14.0868 14.0868 14.3946 14.3946 16.6574 16.6574 16.9431 16.9431 k = 0.2424 0.1400 0.6316 ( 3876 PWs) bands (ev): -17.9891 -17.9891 -1.7693 -1.7693 -1.5210 -1.5210 -1.5040 -1.5040 4.5801 4.5801 4.7258 4.7258 5.4558 5.4558 5.5614 5.5614 6.1976 6.1976 6.4375 6.4375 6.5021 6.5021 6.5586 6.5586 6.6752 6.6752 6.7084 6.7084 6.8602 6.8602 7.1419 7.1419 7.5981 7.5981 8.0402 8.0402 8.1484 8.1484 8.2897 8.2897 8.3724 8.3724 8.5276 8.5276 8.7094 8.7094 8.7618 8.7618 8.9077 8.9077 9.3488 9.3488 9.6008 9.6008 9.7303 9.7303 9.8693 9.8693 9.9152 9.9152 10.4175 10.4175 10.9024 10.9024 12.3280 12.3280 13.4439 13.4439 14.0901 14.0901 14.3973 14.3973 16.7507 16.7507 17.0384 17.0384 k = 0.2576 0.1487 0.6316 ( 3876 PWs) bands (ev): -17.9891 -17.9891 -1.7692 -1.7692 -1.5209 -1.5209 -1.5040 -1.5040 4.6203 4.6203 4.7475 4.7475 5.4728 5.4728 5.5792 5.5792 6.1729 6.1729 6.4319 6.4319 6.4991 6.4991 6.5539 6.5539 6.6712 6.6712 6.7237 6.7237 6.8582 6.8582 7.1581 7.1581 7.6183 7.6183 8.0247 8.0247 8.1457 8.1457 8.2859 8.2859 8.3320 8.3320 8.5041 8.5041 8.7176 8.7176 8.7717 8.7717 8.9223 8.9223 9.3281 9.3281 9.5693 9.5693 9.6839 9.6839 9.8312 9.8312 9.9233 9.9233 10.4107 10.4107 10.8548 10.8548 12.2581 12.2581 13.4616 13.4616 14.0947 14.0947 14.3997 14.3997 16.8291 16.8291 17.1351 17.1351 k = 0.2727 0.1575 0.6316 ( 3872 PWs) bands (ev): -17.9890 -17.9890 -1.7691 -1.7691 -1.5207 -1.5207 -1.5041 -1.5041 4.6607 4.6607 4.7701 4.7701 5.4912 5.4912 5.5975 5.5975 6.1460 6.1460 6.4223 6.4223 6.4984 6.4984 6.5488 6.5488 6.6691 6.6691 6.7368 6.7368 6.8608 6.8608 7.1768 7.1768 7.6395 7.6395 8.0064 8.0064 8.1410 8.1410 8.2805 8.2805 8.2879 8.2879 8.4798 8.4798 8.7248 8.7248 8.7833 8.7833 8.9377 8.9377 9.3073 9.3073 9.5317 9.5317 9.6285 9.6285 9.8071 9.8071 9.9392 9.9392 10.4041 10.4041 10.8090 10.8090 12.1877 12.1877 13.4798 13.4798 14.1003 14.1003 14.4019 14.4019 16.8880 16.8880 17.2359 17.2359 k = 0.2879 0.1662 0.6316 ( 3872 PWs) bands (ev): -17.9890 -17.9890 -1.7690 -1.7690 -1.5206 -1.5206 -1.5041 -1.5041 4.7009 4.7009 4.7938 4.7938 5.5109 5.5109 5.6161 5.6161 6.1172 6.1172 6.4099 6.4099 6.4980 6.4980 6.5455 6.5455 6.6684 6.6684 6.7462 6.7462 6.8688 6.8688 7.1979 7.1979 7.6616 7.6616 7.9855 7.9855 8.1312 8.1312 8.2358 8.2358 8.2812 8.2812 8.4565 8.4565 8.7305 8.7305 8.7951 8.7951 8.9536 8.9536 9.2867 9.2867 9.4905 9.4905 9.5695 9.5695 9.7937 9.7937 9.9600 9.9600 10.3975 10.3975 10.7650 10.7650 12.1172 12.1172 13.4982 13.4982 14.1066 14.1066 14.4039 14.4039 16.9256 16.9256 17.3425 17.3425 k = 0.3030 0.1750 0.6316 ( 3880 PWs) bands (ev): -17.9890 -17.9890 -1.7689 -1.7689 -1.5206 -1.5206 -1.5041 -1.5041 4.7402 4.7402 4.8184 4.8184 5.5319 5.5319 5.6353 5.6353 6.0867 6.0867 6.3962 6.3962 6.4954 6.4954 6.5458 6.5458 6.6686 6.6686 6.7520 6.7520 6.8818 6.8818 7.2215 7.2215 7.6844 7.6844 7.9617 7.9617 8.1092 8.1092 8.1920 8.1920 8.2795 8.2795 8.4356 8.4356 8.7340 8.7340 8.8060 8.8060 8.9697 8.9697 9.2665 9.2665 9.4481 9.4481 9.5108 9.5108 9.7878 9.7878 9.9839 9.9839 10.3911 10.3911 10.7230 10.7230 12.0471 12.0471 13.5165 13.5165 14.1134 14.1134 14.4056 14.4056 16.9436 16.9436 17.4550 17.4550 k = 0.3182 0.1837 0.6316 ( 3872 PWs) bands (ev): -17.9890 -17.9890 -1.7688 -1.7688 -1.5205 -1.5205 -1.5041 -1.5041 4.7779 4.7779 4.8442 4.8442 5.5539 5.5539 5.6551 5.6551 6.0552 6.0552 6.3821 6.3821 6.4899 6.4899 6.5502 6.5502 6.6689 6.6689 6.7553 6.7553 6.8985 6.8985 7.2471 7.2471 7.7074 7.7074 7.9341 7.9341 8.0679 8.0679 8.1632 8.1632 8.2781 8.2781 8.4179 8.4179 8.7344 8.7344 8.8151 8.8151 8.9861 8.9861 9.2472 9.2472 9.4061 9.4061 9.4553 9.4553 9.7871 9.7871 10.0097 10.0097 10.3847 10.3847 10.6832 10.6832 11.9776 11.9776 13.5345 13.5345 14.1206 14.1206 14.4070 14.4070 16.9461 16.9461 17.5722 17.5722 k = 0.3333 0.1925 0.6316 ( 3872 PWs) bands (ev): -17.9889 -17.9889 -1.7687 -1.7687 -1.5204 -1.5204 -1.5040 -1.5040 4.8133 4.8133 4.8710 4.8710 5.5764 5.5764 5.6758 5.6758 6.0231 6.0231 6.3681 6.3681 6.4825 6.4825 6.5575 6.5575 6.6691 6.6691 6.7572 6.7572 6.9175 6.9175 7.2745 7.2745 7.7298 7.7298 7.9007 7.9007 8.0157 8.0157 8.1447 8.1447 8.2765 8.2765 8.4042 8.4042 8.7307 8.7307 8.8224 8.8224 9.0023 9.0023 9.2288 9.2288 9.3649 9.3649 9.4056 9.4056 9.7905 9.7905 10.0362 10.0362 10.3784 10.3784 10.6457 10.6457 11.9091 11.9091 13.5520 13.5520 14.1280 14.1280 14.4082 14.4082 16.9373 16.9373 17.6925 17.6925 k = 0.3485 0.2012 0.6316 ( 3868 PWs) bands (ev): -17.9889 -17.9889 -1.7686 -1.7686 -1.5204 -1.5204 -1.5039 -1.5039 4.8457 4.8457 4.8987 4.8987 5.5987 5.5987 5.6976 5.6976 5.9913 5.9913 6.3546 6.3546 6.4742 6.4742 6.5663 6.5663 6.6691 6.6691 6.7586 6.7586 6.9379 6.9379 7.3034 7.3034 7.7490 7.7490 7.8599 7.8599 7.9659 7.9659 8.1291 8.1291 8.2742 8.2742 8.3949 8.3949 8.7220 8.7220 8.8288 8.8288 9.0182 9.0182 9.2105 9.2105 9.3250 9.3250 9.3637 9.3637 9.7971 9.7971 10.0623 10.0623 10.3725 10.3725 10.6111 10.6111 11.8422 11.8422 13.5686 13.5686 14.1352 14.1352 14.4092 14.4092 16.9212 16.9212 17.8145 17.8145 k = 0.3636 0.2099 0.6316 ( 3868 PWs) bands (ev): -17.9889 -17.9889 -1.7685 -1.7685 -1.5204 -1.5204 -1.5039 -1.5039 4.8750 4.8750 4.9270 4.9270 5.6199 5.6199 5.7207 5.7207 5.9606 5.9606 6.3419 6.3419 6.4659 6.4659 6.5757 6.5757 6.6691 6.6691 6.7599 6.7599 6.9591 6.9591 7.3333 7.3333 7.7510 7.7510 7.8240 7.8240 7.9246 7.9246 8.1134 8.1134 8.2711 8.2711 8.3901 8.3901 8.7079 8.7079 8.8348 8.8348 9.0332 9.0332 9.1902 9.1902 9.2895 9.2895 9.3300 9.3300 9.8065 9.8065 10.0864 10.0864 10.3675 10.3675 10.5797 10.5797 11.7774 11.7774 13.5843 13.5843 14.1423 14.1423 14.4099 14.4099 16.9006 16.9006 17.9367 17.9367 k = 0.3788 0.2187 0.6316 ( 3852 PWs) bands (ev): -17.9888 -17.9888 -1.7684 -1.7684 -1.5204 -1.5204 -1.5038 -1.5038 4.9013 4.9013 4.9549 4.9549 5.6391 5.6391 5.7444 5.7444 5.9326 5.9326 6.3301 6.3301 6.4578 6.4578 6.5849 6.5849 6.6693 6.6693 6.7611 6.7611 6.9806 6.9806 7.3635 7.3635 7.7083 7.7083 7.8240 7.8240 7.8907 7.8907 8.0970 8.0970 8.2675 8.2675 8.3892 8.3892 8.6885 8.6885 8.8412 8.8412 9.0471 9.0471 9.1644 9.1644 9.2630 9.2630 9.3030 9.3030 9.8186 9.8186 10.1064 10.1064 10.3644 10.3644 10.5522 10.5522 11.7152 11.7152 13.5989 13.5989 14.1491 14.1491 14.4105 14.4105 16.8782 16.8782 18.0578 18.0578 k = 0.3939 0.2274 0.6316 ( 3846 PWs) bands (ev): -17.9888 -17.9888 -1.7683 -1.7683 -1.5204 -1.5204 -1.5037 -1.5037 4.9247 4.9247 4.9817 4.9817 5.6560 5.6560 5.7661 5.7661 5.9101 5.9101 6.3196 6.3196 6.4503 6.4503 6.5931 6.5931 6.6701 6.6701 6.7623 6.7623 7.0022 7.0022 7.3928 7.3928 7.6458 7.6458 7.8369 7.8369 7.8647 7.8647 8.0799 8.0799 8.2642 8.2642 8.3915 8.3915 8.6651 8.6651 8.8483 8.8483 9.0598 9.0598 9.1328 9.1328 9.2455 9.2455 9.2826 9.2826 9.8332 9.8332 10.1199 10.1199 10.3647 10.3647 10.5288 10.5288 11.6564 11.6564 13.6122 13.6122 14.1554 14.1554 14.4110 14.4110 16.8554 16.8554 18.1760 18.1760 k = 0.4091 0.2362 0.6316 ( 3846 PWs) bands (ev): -17.9888 -17.9888 -1.7683 -1.7683 -1.5204 -1.5204 -1.5036 -1.5036 4.9453 4.9453 5.0066 5.0066 5.6703 5.6703 5.7806 5.7806 5.8981 5.8981 6.3103 6.3103 6.4436 6.4436 6.5997 6.5997 6.6719 6.6719 6.7632 6.7632 7.0239 7.0239 7.4182 7.4182 7.5838 7.5838 7.8238 7.8238 7.8691 7.8691 8.0624 8.0624 8.2618 8.2618 8.3962 8.3962 8.6389 8.6389 8.8562 8.8562 9.0709 9.0709 9.0990 9.0990 9.2314 9.2314 9.2701 9.2701 9.8500 9.8500 10.1251 10.1251 10.3694 10.3694 10.5098 10.5098 11.6018 11.6018 13.6240 13.6240 14.1611 14.1611 14.4113 14.4113 16.8338 16.8338 18.2891 18.2891 k = 0.4242 0.2449 0.6316 ( 3852 PWs) bands (ev): -17.9888 -17.9888 -1.7682 -1.7682 -1.5204 -1.5204 -1.5035 -1.5035 4.9632 4.9632 5.0290 5.0290 5.6821 5.6821 5.7820 5.7820 5.9016 5.9016 6.3024 6.3024 6.4377 6.4377 6.6042 6.6042 6.6751 6.6751 6.7638 6.7638 7.0458 7.0458 7.4288 7.4288 7.5383 7.5383 7.7971 7.7971 7.8876 7.8876 8.0451 8.0451 8.2605 8.2605 8.4025 8.4025 8.6114 8.6114 8.8651 8.8651 9.0629 9.0629 9.0838 9.0838 9.2166 9.2166 9.2654 9.2654 9.8688 9.8688 10.1213 10.1213 10.3785 10.3785 10.4951 10.4951 11.5525 11.5525 13.6342 13.6342 14.1661 14.1661 14.4115 14.4115 16.8142 16.8142 18.3944 18.3944 k = 0.4394 0.2537 0.6316 ( 3858 PWs) bands (ev): -17.9888 -17.9888 -1.7682 -1.7682 -1.5204 -1.5204 -1.5034 -1.5034 4.9781 4.9781 5.0483 5.0483 5.6916 5.6916 5.7727 5.7727 5.9171 5.9171 6.2960 6.2960 6.4327 6.4327 6.6068 6.6068 6.6795 6.6795 6.7639 6.7639 7.0679 7.0679 7.4038 7.4038 7.5321 7.5321 7.7694 7.7694 7.9063 7.9063 8.0283 8.0283 8.2606 8.2606 8.4100 8.4100 8.5841 8.5841 8.8750 8.8750 9.0318 9.0318 9.0933 9.0933 9.2013 9.2013 9.2654 9.2654 9.8892 9.8892 10.1099 10.1099 10.3903 10.3903 10.4844 10.4844 11.5095 11.5095 13.6427 13.6427 14.1703 14.1703 14.4117 14.4117 16.7974 16.7974 18.4853 18.4853 k = 0.4545 0.2624 0.6316 ( 3862 PWs) bands (ev): -17.9888 -17.9888 -1.7682 -1.7682 -1.5204 -1.5204 -1.5034 -1.5034 4.9898 4.9898 5.0641 5.0641 5.6990 5.6990 5.7602 5.7602 5.9362 5.9362 6.2911 6.2911 6.4288 6.4288 6.6078 6.6078 6.6845 6.6845 6.7635 6.7635 7.0902 7.0902 7.3584 7.3584 7.5517 7.5517 7.7418 7.7418 7.9236 7.9236 8.0124 8.0124 8.2617 8.2617 8.4183 8.4183 8.5587 8.5587 8.8861 8.8861 9.0030 9.0030 9.1030 9.1030 9.1867 9.1867 9.2673 9.2673 9.9105 9.9105 10.0933 10.0933 10.4023 10.4023 10.4775 10.4775 11.4742 11.4742 13.6495 13.6495 14.1737 14.1737 14.4118 14.4118 16.7838 16.7838 18.5080 18.5080 k = 0.4697 0.2712 0.6316 ( 3868 PWs) bands (ev): -17.9888 -17.9888 -1.7682 -1.7682 -1.5204 -1.5204 -1.5033 -1.5033 4.9983 4.9983 5.0759 5.0759 5.7044 5.7044 5.7489 5.7489 5.9530 5.9530 6.2877 6.2877 6.4259 6.4259 6.6078 6.6078 6.6891 6.6891 6.7628 6.7628 7.1121 7.1121 7.3142 7.3142 7.5773 7.5773 7.7150 7.7150 7.9392 7.9392 7.9976 7.9976 8.2633 8.2633 8.4267 8.4267 8.5367 8.5367 8.8985 8.8985 8.9775 8.9775 9.1124 9.1124 9.1736 9.1736 9.2695 9.2695 9.9312 9.9312 10.0747 10.0747 10.4120 10.4120 10.4738 10.4738 11.4477 11.4477 13.6543 13.6543 14.1761 14.1761 14.4118 14.4118 16.7738 16.7738 18.4989 18.4989 k = 0.4848 0.2799 0.6316 ( 3864 PWs) bands (ev): -17.9888 -17.9888 -1.7681 -1.7681 -1.5204 -1.5204 -1.5033 -1.5033 5.0035 5.0035 5.0831 5.0831 5.7078 5.7078 5.7412 5.7412 5.9643 5.9643 6.2858 6.2858 6.4242 6.4242 6.6075 6.6075 6.6925 6.6925 6.7620 6.7620 7.1309 7.1309 7.2805 7.2805 7.6011 7.6011 7.6914 7.6914 7.9530 7.9530 7.9843 7.9843 8.2647 8.2647 8.4339 8.4339 8.5209 8.5209 8.9119 8.9119 8.9561 8.9561 9.1205 9.1205 9.1632 9.1632 9.2711 9.2711 9.9484 9.9484 10.0584 10.0584 10.4180 10.4180 10.4725 10.4725 11.4313 11.4313 13.6573 13.6573 14.1776 14.1776 14.4118 14.4118 16.7678 16.7678 18.4926 18.4926 k = 0.5000 0.2887 0.6316 ( 3860 PWs) bands (ev): -17.9888 -17.9888 -1.7681 -1.7681 -1.5204 -1.5204 -1.5033 -1.5033 5.0052 5.0052 5.0856 5.0856 5.7090 5.7090 5.7384 5.7384 5.9682 5.9682 6.2851 6.2851 6.4236 6.4236 6.6073 6.6073 6.6937 6.6937 6.7617 6.7617 7.1393 7.1393 7.2669 7.2669 7.6129 7.6129 7.6799 7.6799 7.9613 7.9613 7.9761 7.9761 8.2653 8.2653 8.4369 8.4369 8.5148 8.5148 8.9209 8.9209 8.9444 8.9444 9.1242 9.1242 9.1587 9.1587 9.2717 9.2717 9.9556 9.9556 10.0513 10.0513 10.4199 10.4199 10.4722 10.4722 11.4257 11.4257 13.6583 13.6583 14.1781 14.1781 14.4119 14.4119 16.7658 16.7658 18.4905 18.4905 k = 0.5000 0.2887 0.6316 ( 3860 PWs) bands (ev): -17.9888 -17.9888 -1.7681 -1.7681 -1.5204 -1.5204 -1.5033 -1.5033 5.0052 5.0052 5.0856 5.0856 5.7090 5.7090 5.7384 5.7384 5.9682 5.9682 6.2851 6.2851 6.4236 6.4236 6.6073 6.6073 6.6937 6.6937 6.7617 6.7617 7.1393 7.1393 7.2669 7.2669 7.6129 7.6129 7.6799 7.6799 7.9613 7.9613 7.9761 7.9761 8.2653 8.2653 8.4369 8.4369 8.5148 8.5148 8.9209 8.9209 8.9444 8.9444 9.1242 9.1242 9.1587 9.1587 9.2717 9.2717 9.9556 9.9556 10.0513 10.0513 10.4199 10.4199 10.4722 10.4722 11.4257 11.4257 13.6583 13.6583 14.1781 14.1781 14.4119 14.4119 16.7658 16.7658 18.4905 18.4905 k = 0.4912 0.3039 0.6316 ( 3860 PWs) bands (ev): -17.9888 -17.9888 -1.7681 -1.7681 -1.5204 -1.5204 -1.5033 -1.5033 5.0068 5.0068 5.0870 5.0870 5.7090 5.7090 5.7374 5.7374 5.9675 5.9675 6.2855 6.2855 6.4235 6.4235 6.6035 6.6035 6.6963 6.6963 6.7614 6.7614 7.1262 7.1262 7.2791 7.2791 7.6121 7.6121 7.6819 7.6819 7.9620 7.9620 7.9755 7.9755 8.2680 8.2680 8.4339 8.4339 8.5185 8.5185 8.9164 8.9164 8.9494 8.9494 9.1209 9.1209 9.1609 9.1609 9.2716 9.2716 9.9511 9.9511 10.0543 10.0543 10.4162 10.4162 10.4748 10.4748 11.4255 11.4255 13.6506 13.6506 14.1198 14.1198 14.4781 14.4781 16.7739 16.7739 18.4873 18.4873 k = 0.4825 0.3191 0.6316 ( 3862 PWs) bands (ev): -17.9888 -17.9888 -1.7681 -1.7681 -1.5203 -1.5203 -1.5034 -1.5034 5.0116 5.0116 5.0911 5.0911 5.7089 5.7089 5.7346 5.7346 5.9654 5.9654 6.2864 6.2864 6.4233 6.4233 6.5931 6.5931 6.7028 6.7028 6.7602 6.7602 7.0958 7.0958 7.3067 7.3067 7.6100 7.6100 7.6877 7.6877 7.9621 7.9621 7.9758 7.9758 8.2758 8.2758 8.4260 8.4260 8.5280 8.5280 8.9078 8.9078 8.9593 8.9593 9.1126 9.1126 9.1659 9.1659 9.2712 9.2712 9.9396 9.9396 10.0609 10.0609 10.4066 10.4066 10.4815 10.4815 11.4247 11.4247 13.6278 13.6278 14.0161 14.0161 14.6059 14.6059 16.7981 16.7981 18.4779 18.4779 k = 0.4737 0.3343 0.6316 ( 3870 PWs) bands (ev): -17.9888 -17.9888 -1.7681 -1.7681 -1.5202 -1.5202 -1.5035 -1.5035 5.0194 5.0194 5.0980 5.0980 5.7080 5.7080 5.7306 5.7306 5.9618 5.9618 6.2879 6.2879 6.4228 6.4228 6.5785 6.5785 6.7111 6.7111 6.7585 6.7585 7.0585 7.0585 7.3390 7.3390 7.6080 7.6080 7.6962 7.6962 7.9581 7.9581 7.9810 7.9810 8.2880 8.2880 8.4157 8.4157 8.5412 8.5412 8.8987 8.8987 8.9707 8.9707 9.1015 9.1015 9.1714 9.1714 9.2707 9.2707 9.9246 9.9246 10.0666 10.0666 10.3932 10.3932 10.4910 10.4910 11.4234 11.4234 13.5911 13.5911 13.9099 13.9099 14.7517 14.7517 16.8372 16.8372 18.4626 18.4626 k = 0.4649 0.3494 0.6316 ( 3866 PWs) bands (ev): -17.9888 -17.9888 -1.7680 -1.7680 -1.5200 -1.5200 -1.5037 -1.5037 5.0300 5.0300 5.1080 5.1080 5.7051 5.7051 5.7269 5.7269 5.9568 5.9568 6.2899 6.2899 6.4220 6.4220 6.5612 6.5612 6.7197 6.7197 6.7566 6.7566 7.0184 7.0184 7.3713 7.3713 7.6072 7.6072 7.7067 7.7067 7.9511 7.9511 7.9904 7.9904 8.3037 8.3037 8.4044 8.4044 8.5564 8.5564 8.8903 8.8903 8.9827 8.9827 9.0888 9.0888 9.1762 9.1762 9.2702 9.2702 9.9088 9.9088 10.0675 10.0675 10.3781 10.3781 10.5033 10.5033 11.4214 11.4214 13.5424 13.5424 13.8094 13.8094 14.9071 14.9071 16.8898 16.8898 18.4420 18.4420 k = 0.4561 0.3646 0.6316 ( 3862 PWs) bands (ev): -17.9888 -17.9888 -1.7680 -1.7680 -1.5197 -1.5197 -1.5039 -1.5039 5.0429 5.0429 5.1214 5.1214 5.6982 5.6982 5.7252 5.7252 5.9504 5.9504 6.2920 6.2920 6.4210 6.4210 6.5424 6.5424 6.7271 6.7271 6.7550 6.7550 6.9771 6.9771 7.4012 7.4012 7.6089 7.6089 7.7184 7.7184 7.9434 7.9434 8.0026 8.0026 8.3216 8.3216 8.3933 8.3933 8.5727 8.5727 8.8831 8.8831 8.9948 8.9948 9.0748 9.0748 9.1799 9.1799 9.2698 9.2698 9.8934 9.8934 10.0603 10.0603 10.3625 10.3625 10.5188 10.5188 11.4185 11.4185 13.4848 13.4848 13.7159 13.7159 15.0691 15.0691 16.9538 16.9538 18.4169 18.4169 k = 0.4474 0.3798 0.6316 ( 3854 PWs) bands (ev): -17.9888 -17.9888 -1.7679 -1.7679 -1.5195 -1.5195 -1.5041 -1.5041 5.0578 5.0578 5.1384 5.1384 5.6874 5.6874 5.7256 5.7256 5.9425 5.9425 6.2942 6.2942 6.4197 6.4197 6.5231 6.5231 6.7320 6.7320 6.7550 6.7550 6.9355 6.9355 7.4270 7.4270 7.6142 7.6142 7.7308 7.7308 7.9360 7.9360 8.0169 8.0169 8.3395 8.3395 8.3840 8.3840 8.5895 8.5895 8.8774 8.8774 9.0070 9.0070 9.0599 9.0599 9.1821 9.1821 9.2698 9.2698 9.8790 9.8790 10.0434 10.0434 10.3475 10.3475 10.5381 10.5381 11.4145 11.4145 13.4219 13.4219 13.6287 13.6287 15.2364 15.2364 17.0271 17.0271 18.3881 18.3881 k = 0.4386 0.3950 0.6316 ( 3858 PWs) bands (ev): -17.9888 -17.9888 -1.7679 -1.7679 -1.5191 -1.5191 -1.5044 -1.5044 5.0743 5.0743 5.1592 5.1592 5.6735 5.6735 5.7274 5.7274 5.9331 5.9331 6.2959 6.2959 6.4179 6.4179 6.5042 6.5042 6.7330 6.7330 6.7578 6.7578 6.8941 6.8941 7.4475 7.4475 7.6238 7.6238 7.7431 7.7431 7.9303 7.9303 8.0325 8.0325 8.3505 8.3505 8.3830 8.3830 8.6064 8.6064 8.8738 8.8738 9.0191 9.0191 9.0443 9.0443 9.1826 9.1826 9.2704 9.2704 9.8659 9.8659 10.0161 10.0161 10.3335 10.3335 10.5615 10.5615 11.4092 11.4092 13.3577 13.3577 13.5466 13.5466 15.4081 15.4081 17.1074 17.1074 18.3563 18.3563 k = 0.4298 0.4102 0.6316 ( 3876 PWs) bands (ev): -17.9888 -17.9888 -1.7678 -1.7678 -1.5188 -1.5188 -1.5048 -1.5048 5.0920 5.0920 5.1841 5.1841 5.6572 5.6572 5.7298 5.7298 5.9223 5.9223 6.2967 6.2967 6.4156 6.4156 6.4865 6.4865 6.7312 6.7312 6.7623 6.7623 6.8535 6.8535 7.4626 7.4626 7.6374 7.6374 7.7545 7.7545 7.9273 7.9273 8.0491 8.0491 8.3469 8.3469 8.3972 8.3972 8.6231 8.6231 8.8726 8.8726 9.0256 9.0256 9.0337 9.0337 9.1813 9.1813 9.2718 9.2718 9.8534 9.8534 9.9801 9.9801 10.3203 10.3203 10.5890 10.5890 11.4022 11.4022 13.2951 13.2951 13.4687 13.4687 15.5836 15.5836 17.1923 17.1923 18.3225 18.3225 k = 0.4211 0.4254 0.6316 ( 3868 PWs) bands (ev): -17.9888 -17.9888 -1.7677 -1.7677 -1.5184 -1.5184 -1.5051 -1.5051 5.1108 5.1108 5.2129 5.2129 5.6390 5.6390 5.7327 5.7327 5.9101 5.9101 6.2959 6.2959 6.4125 6.4125 6.4713 6.4713 6.7281 6.7281 6.7660 6.7660 6.8150 6.8150 7.4731 7.4731 7.6537 7.6537 7.7644 7.7644 7.9282 7.9282 8.0660 8.0660 8.3375 8.3375 8.4172 8.4172 8.6393 8.6393 8.8740 8.8740 9.0105 9.0105 9.0445 9.0445 9.1783 9.1783 9.2742 9.2742 9.8389 9.8389 9.9390 9.9390 10.3076 10.3076 10.6203 10.6203 11.3932 11.3932 13.2366 13.2366 13.3948 13.3948 15.7621 15.7621 17.2795 17.2795 18.2873 18.2873 k = 0.4123 0.4406 0.6316 ( 3856 PWs) bands (ev): -17.9887 -17.9887 -1.7677 -1.7677 -1.5180 -1.5180 -1.5055 -1.5055 5.1306 5.1306 5.2452 5.2452 5.6190 5.6190 5.7357 5.7357 5.8965 5.8965 6.2926 6.2926 6.4086 6.4086 6.4597 6.4597 6.7244 6.7244 6.7599 6.7599 6.7875 6.7875 7.4803 7.4803 7.6707 7.6707 7.7720 7.7720 7.9339 7.9339 8.0827 8.0827 8.3268 8.3268 8.4379 8.4379 8.6551 8.6551 8.8784 8.8784 8.9940 8.9940 9.0565 9.0565 9.1739 9.1739 9.2773 9.2773 9.8154 9.8154 9.9017 9.9017 10.2950 10.2950 10.6548 10.6548 11.3818 11.3818 13.1833 13.1833 13.3251 13.3251 15.9431 15.9431 17.3667 17.3667 18.2515 18.2515 k = 0.4035 0.4558 0.6316 ( 3864 PWs) bands (ev): -17.9888 -17.9888 -1.7676 -1.7676 -1.5175 -1.5175 -1.5059 -1.5059 5.1516 5.1516 5.2805 5.2805 5.5977 5.5977 5.7384 5.7384 5.8815 5.8815 6.2863 6.2863 6.4044 6.4044 6.4522 6.4522 6.7193 6.7193 6.7311 6.7311 6.7848 6.7848 7.4856 7.4856 7.6864 7.6864 7.7774 7.7774 7.9448 7.9448 8.0989 8.0989 8.3156 8.3156 8.4576 8.4576 8.6707 8.6707 8.8855 8.8855 8.9778 8.9778 9.0684 9.0684 9.1686 9.1686 9.2811 9.2811 9.7736 9.7736 9.8791 9.8791 10.2822 10.2822 10.6920 10.6920 11.3674 11.3674 13.1360 13.1360 13.2605 13.2605 16.1261 16.1261 17.4515 17.4515 18.2153 18.2153 k = 0.3947 0.4710 0.6316 ( 3864 PWs) bands (ev): -17.9888 -17.9888 -1.7675 -1.7675 -1.5171 -1.5171 -1.5063 -1.5063 5.1737 5.1737 5.3180 5.3180 5.5754 5.5754 5.7407 5.7407 5.8656 5.8656 6.2767 6.2767 6.4008 6.4008 6.4487 6.4487 6.6928 6.6928 6.7190 6.7190 6.7881 6.7881 7.4900 7.4900 7.6991 7.6991 7.7816 7.7816 7.9600 7.9600 8.1141 8.1141 8.3040 8.3040 8.4754 8.4754 8.6867 8.6867 8.8950 8.8950 8.9623 8.9623 9.0798 9.0798 9.1628 9.1628 9.2855 9.2855 9.7170 9.7170 9.8695 9.8695 10.2693 10.2693 10.7313 10.7313 11.3499 11.3499 13.0950 13.0950 13.2017 13.2017 16.3104 16.3104 17.5317 17.5317 18.1791 18.1791 k = 0.3860 0.4862 0.6316 ( 3864 PWs) bands (ev): -17.9887 -17.9887 -1.7675 -1.7675 -1.5167 -1.5167 -1.5067 -1.5067 5.1970 5.1970 5.3564 5.3564 5.5528 5.5528 5.7418 5.7418 5.8491 5.8491 6.2646 6.2646 6.3982 6.3982 6.4483 6.4483 6.6588 6.6588 6.7157 6.7157 6.7917 6.7917 7.4941 7.4941 7.7076 7.7076 7.7858 7.7858 7.9784 7.9784 8.1281 8.1281 8.2919 8.2919 8.4906 8.4906 8.7036 8.7036 8.9058 8.9058 8.9480 8.9480 9.0902 9.0902 9.1570 9.1570 9.2905 9.2905 9.6542 9.6542 9.8661 9.8661 10.2565 10.2565 10.7720 10.7720 11.3289 11.3289 13.0602 13.0602 13.1498 13.1498 16.4952 16.4952 17.6050 17.6050 18.1425 18.1425 k = 0.3772 0.5014 0.6316 ( 3872 PWs) bands (ev): -17.9888 -17.9888 -1.7674 -1.7674 -1.5163 -1.5163 -1.5071 -1.5071 5.2216 5.2216 5.3933 5.3933 5.5319 5.5319 5.7408 5.7408 5.8330 5.8330 6.2509 6.2509 6.3967 6.3967 6.4508 6.4508 6.6263 6.6263 6.7131 6.7131 6.7950 6.7950 7.4982 7.4982 7.7117 7.7117 7.7907 7.7907 7.9985 7.9985 8.1407 8.1407 8.2793 8.2793 8.5029 8.5029 8.7221 8.7221 8.9166 8.9166 8.9360 8.9360 9.0988 9.0988 9.1517 9.1517 9.2964 9.2964 9.5902 9.5902 9.8657 9.8657 10.2443 10.2443 10.8138 10.8138 11.3043 11.3043 13.0313 13.0313 13.1055 13.1055 16.6797 16.6797 17.6693 17.6693 18.1033 18.1033 k = 0.3684 0.5166 0.6316 ( 3868 PWs) bands (ev): -17.9887 -17.9887 -1.7674 -1.7674 -1.5159 -1.5159 -1.5074 -1.5074 5.2473 5.2473 5.4220 5.4220 5.5181 5.5181 5.7363 5.7363 5.8189 5.8189 6.2371 6.2371 6.3958 6.3958 6.4557 6.4557 6.5960 6.5960 6.7110 6.7110 6.7978 6.7978 7.5023 7.5023 7.7122 7.7122 7.7962 7.7962 8.0187 8.0187 8.1523 8.1523 8.2660 8.2660 8.5121 8.5121 8.7421 8.7421 8.9202 8.9202 8.9325 8.9325 9.1046 9.1046 9.1466 9.1466 9.3036 9.3036 9.5288 9.5288 9.8669 9.8669 10.2329 10.2329 10.8556 10.8556 11.2764 11.2764 13.0080 13.0080 13.0696 13.0696 16.8626 16.8626 17.7227 17.7227 18.0536 18.0536 k = 0.3596 0.5318 0.6316 ( 3860 PWs) bands (ev): -17.9887 -17.9887 -1.7673 -1.7673 -1.5156 -1.5156 -1.5077 -1.5077 5.2741 5.2741 5.4286 5.4286 5.5238 5.5238 5.7271 5.7271 5.8086 5.8086 6.2244 6.2244 6.3952 6.3952 6.4630 6.4630 6.5682 6.5682 6.7095 6.7095 6.8000 6.8000 7.5064 7.5064 7.7104 7.7104 7.8015 7.8015 8.0372 8.0372 8.1630 8.1630 8.2520 8.2520 8.5184 8.5184 8.7630 8.7630 8.9133 8.9133 8.9400 8.9400 9.1075 9.1075 9.1411 9.1411 9.3132 9.3132 9.4734 9.4734 9.8687 9.8687 10.2231 10.2231 10.8965 10.8965 11.2462 11.2462 12.9901 12.9901 13.0423 13.0423 17.0413 17.0413 17.7635 17.7635 17.9720 17.9720 k = 0.3509 0.5470 0.6316 ( 3860 PWs) bands (ev): -17.9887 -17.9887 -1.7673 -1.7673 -1.5153 -1.5153 -1.5079 -1.5079 5.3019 5.3019 5.4133 5.4133 5.5464 5.5464 5.7140 5.7140 5.8026 5.8026 6.2141 6.2141 6.3949 6.3949 6.4727 6.4727 6.5432 6.5432 6.7084 6.7084 6.8016 6.8016 7.5100 7.5100 7.7078 7.7078 7.8059 7.8059 8.0524 8.0524 8.1734 8.1734 8.2378 8.2378 8.5222 8.5222 8.7830 8.7830 8.9073 8.9073 8.9462 8.9462 9.1081 9.1081 9.1342 9.1342 9.3261 9.3261 9.4270 9.4270 9.8705 9.8705 10.2154 10.2154 10.9341 10.9341 11.2159 11.2159 12.9772 12.9772 13.0236 13.0236 17.2107 17.2107 17.7898 17.7898 17.8662 17.8662 k = 0.3421 0.5622 0.6316 ( 3864 PWs) bands (ev): -17.9887 -17.9887 -1.7673 -1.7673 -1.5152 -1.5152 -1.5081 -1.5081 5.3302 5.3302 5.3890 5.3890 5.5685 5.5685 5.7013 5.7013 5.7999 5.7999 6.2073 6.2073 6.3947 6.3947 6.4845 6.4845 6.5218 6.5218 6.7078 6.7078 6.8026 6.8026 7.5127 7.5127 7.7055 7.7055 7.8088 7.8088 8.0625 8.0625 8.1832 8.1832 8.2249 8.2249 8.5240 8.5240 8.7988 8.7988 8.9035 8.9035 8.9491 8.9491 9.1075 9.1075 9.1272 9.1272 9.3427 9.3427 9.3911 9.3911 9.8719 9.8719 10.2104 10.2104 10.9636 10.9636 11.1906 11.1906 12.9694 12.9694 13.0130 13.0130 17.3549 17.3549 17.7575 17.7575 17.8132 17.8132 k = 0.3333 0.5774 0.6316 ( 3864 PWs) bands (ev): -17.9887 -17.9887 -1.7673 -1.7673 -1.5151 -1.5151 -1.5081 -1.5081 5.3533 5.3533 5.3670 5.3670 5.5776 5.5776 5.6958 5.6958 5.7992 5.7992 6.2049 6.2049 6.3947 6.3947 6.4943 6.4943 6.5086 6.5086 6.7076 6.7076 6.8029 6.8029 7.5137 7.5137 7.7045 7.7045 7.8098 7.8098 8.0660 8.0660 8.1885 8.1885 8.2185 8.2185 8.5245 8.5245 8.8054 8.8054 8.9023 8.9023 8.9494 8.9494 9.1068 9.1068 9.1241 9.1241 9.3588 9.3588 9.3692 9.3692 9.8723 9.8723 10.2086 10.2086 10.9757 10.9757 11.1797 11.1797 12.9668 12.9668 13.0097 13.0097 17.4213 17.4213 17.7124 17.7124 17.8164 17.8164 k = 0.3333 0.5774 0.6316 ( 3864 PWs) bands (ev): -17.9887 -17.9887 -1.7673 -1.7673 -1.5151 -1.5151 -1.5081 -1.5081 5.3533 5.3533 5.3670 5.3670 5.5776 5.5776 5.6958 5.6958 5.7992 5.7992 6.2049 6.2049 6.3947 6.3947 6.4943 6.4943 6.5086 6.5086 6.7076 6.7076 6.8029 6.8029 7.5137 7.5137 7.7045 7.7045 7.8098 7.8098 8.0660 8.0660 8.1885 8.1885 8.2185 8.2185 8.5245 8.5245 8.8054 8.8054 8.9023 8.9023 8.9494 8.9494 9.1068 9.1068 9.1241 9.1241 9.3588 9.3588 9.3692 9.3692 9.8723 9.8723 10.2086 10.2086 10.9757 10.9757 11.1797 11.1797 12.9668 12.9668 13.0097 13.0097 17.4213 17.4213 17.7124 17.7124 17.8164 17.8164 k = 0.3243 0.5617 0.6316 ( 3864 PWs) bands (ev): -17.9887 -17.9887 -1.7673 -1.7673 -1.5152 -1.5152 -1.5081 -1.5081 5.3288 5.3288 5.3902 5.3902 5.5689 5.5689 5.7006 5.7006 5.7997 5.7997 6.2076 6.2076 6.3947 6.3947 6.4842 6.4842 6.5225 6.5225 6.7078 6.7078 6.8026 6.8026 7.5124 7.5124 7.7058 7.7058 7.8086 7.8086 8.0623 8.0623 8.1830 8.1830 8.2253 8.2253 8.5242 8.5242 8.7974 8.7974 8.9034 8.9034 8.9501 8.9501 9.1086 9.1086 9.1277 9.1277 9.3437 9.3437 9.3891 9.3891 9.8718 9.8718 10.2106 10.2106 10.9621 10.9621 11.1922 11.1922 12.9694 12.9694 13.0130 13.0130 17.3629 17.3629 17.7363 17.7363 17.8115 17.8115 k = 0.3153 0.5461 0.6316 ( 3864 PWs) bands (ev): -17.9887 -17.9887 -1.7673 -1.7673 -1.5153 -1.5153 -1.5079 -1.5079 5.2977 5.2977 5.4159 5.4159 5.5499 5.5499 5.7091 5.7091 5.8012 5.8012 6.2152 6.2152 6.3950 6.3950 6.4727 6.4727 6.5462 6.5462 6.7083 6.7083 6.8016 6.8016 7.5079 7.5079 7.7100 7.7100 7.8048 7.8048 8.0518 8.0518 8.1731 8.1731 8.2387 8.2387 8.5234 8.5234 8.7752 8.7752 8.9061 8.9061 8.9527 8.9527 9.1144 9.1144 9.1393 9.1393 9.3297 9.3297 9.4156 9.4156 9.8705 9.8705 10.2165 10.2165 10.9270 10.9270 11.2244 11.2244 12.9768 12.9768 13.0225 13.0225 17.2495 17.2495 17.7399 17.7399 17.8005 17.8005 k = 0.3063 0.5305 0.6316 ( 3862 PWs) bands (ev): -17.9887 -17.9887 -1.7673 -1.7673 -1.5155 -1.5155 -1.5077 -1.5077 5.2656 5.2656 5.4303 5.4303 5.5353 5.5353 5.7146 5.7146 5.8031 5.8031 6.2268 6.2268 6.3956 6.3956 6.4644 6.4644 6.5756 6.5756 6.7092 6.7092 6.8001 6.8001 7.5001 7.5001 7.7172 7.7172 7.7983 7.7983 8.0363 8.0363 8.1630 8.1630 8.2532 8.2532 8.5226 8.5226 8.7448 8.7448 8.9098 8.9098 8.9553 8.9553 9.1225 9.1225 9.1591 9.1591 9.3196 9.3196 9.4436 9.4436 9.8689 9.8689 10.2263 10.2263 10.8801 10.8801 11.2672 11.2672 12.9884 12.9884 13.0379 13.0379 17.1221 17.1221 17.7124 17.7124 17.7899 17.7899 k = 0.2973 0.5149 0.6316 ( 3854 PWs) bands (ev): -17.9887 -17.9887 -1.7674 -1.7674 -1.5158 -1.5158 -1.5075 -1.5075 5.2332 5.2332 5.4203 5.4203 5.5410 5.5410 5.7153 5.7153 5.8047 5.8047 6.2407 6.2407 6.3966 6.3966 6.4594 6.4594 6.6109 6.6109 6.7105 6.7105 6.7981 6.7981 7.4889 7.4889 7.7267 7.7267 7.7891 7.7891 8.0182 8.0182 8.1530 8.1530 8.2669 8.2669 8.5219 8.5219 8.7129 8.7129 8.9140 8.9140 8.9562 8.9562 9.1321 9.1321 9.1839 9.1839 9.3139 9.3139 9.4717 9.4717 9.8678 9.8678 10.2397 10.2397 10.8273 10.8273 11.3155 11.3155 13.0033 13.0033 13.0585 13.0585 16.9905 16.9905 17.6721 17.6721 17.7793 17.7793 k = 0.2883 0.4993 0.6316 ( 3862 PWs) bands (ev): -17.9887 -17.9887 -1.7674 -1.7674 -1.5161 -1.5161 -1.5072 -1.5072 5.2004 5.2004 5.3898 5.3898 5.5641 5.5641 5.7119 5.7119 5.8051 5.8051 6.2553 6.2553 6.3983 6.3983 6.4570 6.4570 6.6509 6.6509 6.7132 6.7132 6.7957 6.7957 7.4750 7.4750 7.7361 7.7361 7.7795 7.7795 7.9992 7.9992 8.1429 8.1429 8.2787 8.2787 8.5211 8.5211 8.6844 8.6844 8.9182 8.9182 8.9555 8.9555 9.1429 9.1429 9.2072 9.2072 9.3163 9.3163 9.4993 9.4993 9.8682 9.8682 10.2561 10.2561 10.7718 10.7718 11.3670 11.3670 13.0211 13.0211 13.0839 13.0839 16.8577 16.8577 17.6266 17.6266 17.7682 17.7682 k = 0.2793 0.4837 0.6316 ( 3864 PWs) bands (ev): -17.9888 -17.9888 -1.7675 -1.7675 -1.5165 -1.5165 -1.5069 -1.5069 5.1677 5.1677 5.3499 5.3499 5.5929 5.5929 5.7067 5.7067 5.8038 5.8038 6.2694 6.2694 6.4010 6.4010 6.4569 6.4569 6.6876 6.6876 6.7236 6.7236 6.7934 6.7934 7.4590 7.4590 7.7368 7.7368 7.7778 7.7778 7.9805 7.9805 8.1328 8.1328 8.2882 8.2882 8.5200 8.5200 8.6625 8.6625 8.9214 8.9214 8.9540 8.9540 9.1548 9.1548 9.2203 9.2203 9.3328 9.3328 9.5255 9.5255 9.8710 9.8710 10.2748 10.2748 10.7155 10.7155 11.4206 11.4206 13.0412 13.0412 13.1132 13.1132 16.7248 16.7248 17.5786 17.5786 17.7567 17.7567 k = 0.2703 0.4681 0.6316 ( 3864 PWs) bands (ev): -17.9888 -17.9888 -1.7676 -1.7676 -1.5168 -1.5168 -1.5067 -1.5067 5.1349 5.1349 5.3055 5.3055 5.6193 5.6193 5.7040 5.7040 5.8008 5.8008 6.2825 6.2825 6.4047 6.4047 6.4583 6.4583 6.7011 6.7011 6.7588 6.7588 6.7921 6.7921 7.4419 7.4419 7.7240 7.7240 7.7895 7.7895 7.9624 7.9624 8.1231 8.1231 8.2950 8.2950 8.5184 8.5184 8.6489 8.6489 8.9226 8.9226 8.9531 8.9531 9.1677 9.1677 9.2212 9.2212 9.3637 9.3637 9.5499 9.5499 9.8773 9.8773 10.2948 10.2948 10.6601 10.6601 11.4757 11.4757 13.0635 13.0635 13.1457 13.1457 16.5925 16.5925 17.5290 17.5290 17.7449 17.7449 k = 0.2613 0.4525 0.6316 ( 3866 PWs) bands (ev): -17.9888 -17.9888 -1.7677 -1.7677 -1.5172 -1.5172 -1.5064 -1.5064 5.1023 5.1023 5.2586 5.2586 5.6337 5.6337 5.7121 5.7121 5.7967 5.7967 6.2947 6.2947 6.4094 6.4094 6.4608 6.4608 6.7031 6.7031 6.7847 6.7847 6.8112 6.8112 7.4247 7.4247 7.7067 7.7067 7.8076 7.8076 7.9442 7.9442 8.1150 8.1150 8.2990 8.2990 8.5167 8.5167 8.6433 8.6433 8.9210 8.9210 8.9536 8.9536 9.1818 9.1818 9.2148 9.2148 9.4024 9.4024 9.5728 9.5728 9.8875 9.8875 10.3143 10.3143 10.6078 10.6078 11.5320 11.5320 13.0874 13.0874 13.1805 13.1805 16.4614 16.4614 17.4780 17.4780 17.7328 17.7328 k = 0.2523 0.4369 0.6316 ( 3862 PWs) bands (ev): -17.9888 -17.9888 -1.7678 -1.7678 -1.5175 -1.5175 -1.5061 -1.5061 5.0699 5.0699 5.2100 5.2100 5.6321 5.6321 5.7326 5.7326 5.7939 5.7939 6.3064 6.3064 6.4149 6.4149 6.4640 6.4640 6.7024 6.7024 6.7848 6.7848 6.8545 6.8545 7.4085 7.4085 7.6910 7.6910 7.8281 7.8281 7.9250 7.9250 8.1093 8.1093 8.3004 8.3004 8.5159 8.5159 8.6444 8.6444 8.9171 8.9171 8.9551 8.9551 9.1969 9.1969 9.2054 9.2054 9.4434 9.4434 9.5952 9.5952 9.9021 9.9021 10.3301 10.3301 10.5619 10.5619 11.5894 11.5894 13.1129 13.1129 13.2172 13.2172 16.3315 16.3315 17.4259 17.4259 17.7200 17.7200 k = 0.2432 0.4213 0.6316 ( 3858 PWs) bands (ev): -17.9888 -17.9888 -1.7679 -1.7679 -1.5178 -1.5178 -1.5059 -1.5059 5.0378 5.0378 5.1602 5.1602 5.6215 5.6215 5.7491 5.7491 5.8018 5.8018 6.3180 6.3180 6.4210 6.4210 6.4678 6.4678 6.7004 6.7004 6.7839 6.7839 6.8920 6.8920 7.3933 7.3933 7.6818 7.6818 7.8500 7.8500 7.9044 7.9044 8.1070 8.1070 8.2995 8.2995 8.5169 8.5169 8.6500 8.6500 8.9117 8.9117 8.9565 8.9565 9.1954 9.1954 9.2133 9.2133 9.4824 9.4824 9.6191 9.6191 9.9207 9.9207 10.3359 10.3359 10.5291 10.5291 11.6477 11.6477 13.1393 13.1393 13.2550 13.2550 16.2033 16.2033 17.3728 17.3728 17.7059 17.7059 k = 0.2342 0.4057 0.6316 ( 3858 PWs) bands (ev): -17.9888 -17.9888 -1.7680 -1.7680 -1.5182 -1.5182 -1.5057 -1.5057 5.0061 5.0061 5.1097 5.1097 5.6074 5.6074 5.7482 5.7482 5.8289 5.8289 6.3297 6.3297 6.4275 6.4275 6.4720 6.4720 6.6974 6.6974 6.7836 6.7836 6.9186 6.9186 7.3785 7.3785 7.6831 7.6831 7.8719 7.8719 7.8833 7.8833 8.1083 8.1083 8.2969 8.2969 8.5203 8.5203 8.6581 8.6581 8.9054 8.9054 8.9568 8.9568 9.1867 9.1867 9.2310 9.2310 9.5160 9.5160 9.6477 9.6477 9.9428 9.9428 10.3239 10.3239 10.5173 10.5173 11.7069 11.7069 13.1664 13.1664 13.2936 13.2936 16.0769 16.0769 17.3185 17.3185 17.6896 17.6896 k = 0.2252 0.3901 0.6316 ( 3862 PWs) bands (ev): -17.9888 -17.9888 -1.7681 -1.7681 -1.5185 -1.5185 -1.5055 -1.5055 4.9748 4.9748 5.0588 5.0588 5.5917 5.5917 5.7380 5.7380 5.8649 5.8649 6.3417 6.3417 6.4341 6.4341 6.4767 6.4767 6.6936 6.6936 6.7840 6.7840 6.9323 6.9323 7.3621 7.3621 7.6975 7.6975 7.8598 7.8598 7.8966 7.8966 8.1133 8.1133 8.2930 8.2930 8.5264 8.5264 8.6668 8.6668 8.8985 8.8985 8.9554 8.9554 9.1807 9.1807 9.2503 9.2503 9.5419 9.5419 9.6829 9.6829 9.9676 9.9676 10.2940 10.2940 10.5267 10.5267 11.7668 11.7668 13.1936 13.1936 13.3327 13.3327 15.9526 15.9526 17.2630 17.2630 17.6696 17.6696 k = 0.2162 0.3745 0.6316 ( 3858 PWs) bands (ev): -17.9888 -17.9888 -1.7682 -1.7682 -1.5188 -1.5188 -1.5053 -1.5053 4.9436 4.9436 5.0080 5.0080 5.5754 5.5754 5.7242 5.7242 5.9036 5.9036 6.3542 6.3542 6.4405 6.4405 6.4819 6.4819 6.6894 6.6894 6.7851 6.7851 6.9339 6.9339 7.3428 7.3428 7.7225 7.7225 7.8411 7.8411 7.9202 7.9202 8.1215 8.1215 8.2883 8.2883 8.5350 8.5350 8.6747 8.6747 8.8910 8.8910 8.9517 8.9517 9.1790 9.1790 9.2714 9.2714 9.5607 9.5607 9.7245 9.7245 9.9945 9.9945 10.2540 10.2540 10.5498 10.5498 11.8276 11.8276 13.2204 13.2204 13.3721 13.3721 15.8305 15.8305 17.2063 17.2063 17.6438 17.6438 k = 0.2072 0.3589 0.6316 ( 3854 PWs) bands (ev): -17.9889 -17.9889 -1.7683 -1.7683 -1.5190 -1.5190 -1.5052 -1.5052 4.9123 4.9123 4.9581 4.9581 5.5588 5.5588 5.7083 5.7083 5.9431 5.9431 6.3671 6.3671 6.4464 6.4464 6.4880 6.4880 6.6849 6.6849 6.7867 6.7867 6.9257 6.9257 7.3203 7.3203 7.7445 7.7445 7.8368 7.8368 7.9442 7.9442 8.1330 8.1330 8.2831 8.2831 8.5458 8.5458 8.6806 8.6806 8.8825 8.8825 8.9458 8.9458 9.1826 9.1826 9.2949 9.2949 9.5746 9.5746 9.7702 9.7702 10.0228 10.0228 10.2104 10.2104 10.5803 10.5803 11.8890 11.8890 13.2461 13.2461 13.4118 13.4118 15.7109 15.7109 17.1484 17.1484 17.6098 17.6098 k = 0.1982 0.3433 0.6316 ( 3854 PWs) bands (ev): -17.9889 -17.9889 -1.7684 -1.7684 -1.5193 -1.5193 -1.5050 -1.5050 4.8792 4.8792 4.9109 4.9109 5.5423 5.5423 5.6909 5.6909 5.9823 5.9823 6.3803 6.3803 6.4515 6.4515 6.4949 6.4949 6.6804 6.6804 6.7886 6.7886 6.9107 6.9107 7.2954 7.2954 7.7428 7.7428 7.8631 7.8631 7.9690 7.9690 8.1476 8.1476 8.2779 8.2779 8.5587 8.5587 8.6837 8.6837 8.8725 8.8725 8.9381 8.9381 9.1922 9.1922 9.3214 9.3214 9.5858 9.5858 9.8182 9.8182 10.0517 10.0517 10.1664 10.1664 10.6153 10.6153 11.9511 11.9511 13.2700 13.2700 13.4520 13.4520 15.5940 15.5940 17.0890 17.0890 17.5653 17.5653 k = 0.1892 0.3277 0.6316 ( 3862 PWs) bands (ev): -17.9889 -17.9889 -1.7686 -1.7686 -1.5195 -1.5195 -1.5049 -1.5049 4.8400 4.8400 4.8711 4.8711 5.5261 5.5261 5.6726 5.6726 6.0207 6.0207 6.3935 6.3935 6.4559 6.4559 6.5029 6.5029 6.6763 6.6763 6.7903 6.7903 6.8917 6.8917 7.2694 7.2694 7.7246 7.7246 7.9068 7.9068 7.9953 7.9953 8.1660 8.1660 8.2730 8.2730 8.5734 8.5734 8.6836 8.6836 8.8605 8.8605 8.9291 8.9291 9.2075 9.2075 9.3514 9.3514 9.5955 9.5955 9.8670 9.8670 10.0798 10.0798 10.1248 10.1248 10.6533 10.6533 12.0138 12.0138 13.2916 13.2916 13.4929 13.4929 15.4800 15.4800 17.0282 17.0282 17.5085 17.5085 k = 0.1802 0.3121 0.6316 ( 3858 PWs) bands (ev): -17.9889 -17.9889 -1.7687 -1.7687 -1.5198 -1.5198 -1.5048 -1.5048 4.7944 4.7944 4.8392 4.8392 5.5102 5.5102 5.6535 5.6535 6.0578 6.0578 6.4064 6.4064 6.4599 6.4599 6.5117 6.5117 6.6727 6.6727 6.7908 6.7908 6.8718 6.8718 7.2434 7.2434 7.7017 7.7017 7.9498 7.9498 8.0241 8.0241 8.1896 8.1896 8.2688 8.2688 8.5892 8.5892 8.6804 8.6804 8.8467 8.8467 8.9193 8.9193 9.2274 9.2274 9.3861 9.3861 9.6044 9.6044 9.9157 9.9157 10.0775 10.0775 10.1160 10.1160 10.6939 10.6939 12.0771 12.0771 13.3104 13.3104 13.5347 13.5347 15.3693 15.3693 16.9657 16.9657 17.4386 17.4386 k = 0.1712 0.2965 0.6316 ( 3866 PWs) bands (ev): -17.9890 -17.9890 -1.7688 -1.7688 -1.5200 -1.5200 -1.5046 -1.5046 4.7467 4.7467 4.8112 4.8112 5.4947 5.4947 5.6339 5.6339 6.0932 6.0932 6.4179 6.4179 6.4644 6.4644 6.5210 6.5210 6.6699 6.6699 6.7874 6.7874 6.8549 6.8549 7.2182 7.2182 7.6777 7.6777 7.9845 7.9845 8.0542 8.0542 8.2201 8.2201 8.2660 8.2660 8.6051 8.6051 8.6750 8.6750 8.8315 8.8315 8.9089 8.9089 9.2507 9.2507 9.4260 9.4260 9.6132 9.6132 9.9636 9.9636 10.0413 10.0413 10.1440 10.1440 10.7365 10.7365 12.1409 12.1409 13.3261 13.3261 13.5775 13.5775 15.2620 15.2620 16.9015 16.9015 17.3560 17.3560 k = 0.1622 0.2809 0.6316 ( 3860 PWs) bands (ev): -17.9890 -17.9890 -1.7689 -1.7689 -1.5202 -1.5202 -1.5045 -1.5045 4.6992 4.6992 4.7851 4.7851 5.4797 5.4797 5.6141 5.6141 6.1264 6.1264 6.4269 6.4269 6.4706 6.4706 6.5304 6.5304 6.6685 6.6685 6.7765 6.7765 6.8456 6.8456 7.1947 7.1947 7.6541 7.6541 8.0108 8.0108 8.0811 8.0811 8.2553 8.2553 8.2678 8.2678 8.6177 8.6177 8.6707 8.6707 8.8156 8.8156 8.8980 8.8980 9.2756 9.2756 9.4716 9.4716 9.6220 9.6220 10.0018 10.0018 10.0150 10.0150 10.1737 10.1737 10.7812 10.7812 12.2051 12.2051 13.3384 13.3384 13.6213 13.6213 15.1586 15.1586 16.8352 16.8352 17.2621 17.2621 k = 0.1532 0.2653 0.6316 ( 3860 PWs) bands (ev): -17.9890 -17.9890 -1.7690 -1.7690 -1.5205 -1.5205 -1.5044 -1.5044 4.6526 4.6526 4.7605 4.7605 5.4652 5.4652 5.5943 5.5943 6.1571 6.1571 6.4323 6.4323 6.4794 6.4794 6.5393 6.5393 6.6689 6.6689 6.7581 6.7581 6.8449 6.8449 7.1733 7.1733 7.6312 7.6312 8.0310 8.0310 8.1019 8.1019 8.2631 8.2631 8.3046 8.3046 8.6192 8.6192 8.6753 8.6753 8.7998 8.7998 8.8865 8.8865 9.3010 9.3010 9.5224 9.5224 9.6313 9.6313 9.9742 9.9742 10.0566 10.0566 10.2037 10.2037 10.8278 10.8278 12.2695 12.2695 13.3474 13.3474 13.6660 13.6660 15.0594 15.0594 16.7663 16.7663 17.1594 17.1594 k = 0.1441 0.2497 0.6316 ( 3868 PWs) bands (ev): -17.9890 -17.9890 -1.7692 -1.7692 -1.5207 -1.5207 -1.5042 -1.5042 4.6073 4.6073 4.7372 4.7372 5.4513 5.4513 5.5748 5.5748 6.1851 6.1851 6.4345 6.4345 6.4901 6.4901 6.5471 6.5471 6.6717 6.6717 6.7362 6.7362 6.8496 6.8496 7.1543 7.1543 7.6093 7.6093 8.0468 8.0468 8.1173 8.1173 8.2657 8.2657 8.3504 8.3504 8.6079 8.6079 8.6902 8.6902 8.7844 8.7844 8.8751 8.8751 9.3261 9.3261 9.5758 9.5758 9.6425 9.6425 9.9480 9.9480 10.0995 10.0995 10.2339 10.2339 10.8764 10.8764 12.3341 12.3341 13.3534 13.3534 13.7117 13.7117 14.9649 14.9649 16.6941 16.6941 17.0506 17.0506 k = 0.1351 0.2341 0.6316 ( 3876 PWs) bands (ev): -17.9891 -17.9891 -1.7693 -1.7693 -1.5210 -1.5210 -1.5041 -1.5041 4.5636 4.5636 4.7151 4.7151 5.4379 5.4379 5.5558 5.5558 6.2101 6.2101 6.4344 6.4344 6.5012 6.5012 6.5529 6.5529 6.6760 6.6760 6.7151 6.7151 6.8574 6.8574 7.1381 7.1381 7.5887 7.5887 8.0582 8.0582 8.1296 8.1296 8.2699 8.2699 8.3954 8.3954 8.5898 8.5898 8.7088 8.7088 8.7695 8.7695 8.8647 8.8647 9.3504 9.3504 9.6216 9.6216 9.6632 9.6632 9.9282 9.9282 10.1398 10.1398 10.2644 10.2644 10.9271 10.9271 12.3985 12.3985 13.3568 13.3568 13.7579 13.7579 14.8753 14.8753 16.6175 16.6175 16.9395 16.9395 k = 0.1261 0.2185 0.6316 ( 3876 PWs) bands (ev): -17.9891 -17.9891 -1.7694 -1.7694 -1.5212 -1.5212 -1.5039 -1.5039 4.5217 4.5217 4.6943 4.6943 5.4252 5.4252 5.5374 5.5374 6.2321 6.2321 6.4329 6.4329 6.5113 6.5113 6.5567 6.5567 6.6732 6.6732 6.7055 6.7055 6.8671 6.8671 7.1246 7.1246 7.5695 7.5695 8.0653 8.0653 8.1409 8.1409 8.2754 8.2754 8.4372 8.4372 8.5682 8.5682 8.7256 8.7256 8.7554 8.7554 8.8575 8.8575 9.3737 9.3737 9.6432 9.6432 9.7047 9.7047 9.9186 9.9186 10.1770 10.1770 10.2953 10.2953 10.9799 10.9799 12.4624 12.4624 13.3580 13.3580 13.8044 13.8044 14.7914 14.7914 16.5350 16.5350 16.8297 16.8297 k = 0.1171 0.2029 0.6316 ( 3876 PWs) bands (ev): -17.9891 -17.9891 -1.7695 -1.7695 -1.5214 -1.5214 -1.5037 -1.5037 4.4818 4.4818 4.6748 4.6748 5.4131 5.4131 5.5199 5.5199 6.2514 6.2514 6.4307 6.4307 6.5185 6.5185 6.5589 6.5589 6.6563 6.6563 6.7155 6.7155 6.8781 6.8781 7.1139 7.1139 7.5517 7.5517 8.0680 8.0680 8.1528 8.1528 8.2818 8.2818 8.4749 8.4749 8.5447 8.5447 8.7313 8.7313 8.7471 8.7471 8.8566 8.8566 9.3959 9.3959 9.6540 9.6540 9.7449 9.7449 9.9264 9.9264 10.2109 10.2109 10.3268 10.3268 11.0348 11.0348 12.5254 12.5254 13.3576 13.3576 13.8509 13.8509 14.7136 14.7136 16.4447 16.4447 16.7252 16.7252 k = 0.1081 0.1872 0.6316 ( 3876 PWs) bands (ev): -17.9892 -17.9892 -1.7696 -1.7696 -1.5217 -1.5217 -1.5035 -1.5035 4.4442 4.4442 4.6566 4.6566 5.4015 5.4015 5.5034 5.5034 6.2680 6.2680 6.4279 6.4279 6.5210 6.5210 6.5612 6.5612 6.6371 6.6371 6.7335 6.7335 6.8899 6.8899 7.1059 7.1059 7.5353 7.5353 8.0673 8.0673 8.1655 8.1655 8.2887 8.2887 8.5079 8.5079 8.5205 8.5205 8.7184 8.7184 8.7489 8.7489 8.8643 8.8643 9.4169 9.4169 9.6625 9.6625 9.7672 9.7672 9.9577 9.9577 10.2413 10.2413 10.3585 10.3585 11.0916 11.0916 12.5871 12.5871 13.3564 13.3564 13.8968 13.8968 14.6426 14.6426 16.3458 16.3458 16.6288 16.6288 k = 0.0991 0.1716 0.6316 ( 3876 PWs) bands (ev): -17.9892 -17.9892 -1.7697 -1.7697 -1.5219 -1.5219 -1.5033 -1.5033 4.4090 4.4090 4.6398 4.6398 5.3907 5.3907 5.4879 5.4879 6.2824 6.2824 6.4250 6.4250 6.5173 6.5173 6.5648 6.5648 6.6199 6.6199 6.7549 6.7549 6.9021 6.9021 7.1002 7.1002 7.5205 7.5205 8.0641 8.0641 8.1789 8.1789 8.2957 8.2957 8.4955 8.4955 8.5364 8.5364 8.7011 8.7011 8.7475 8.7475 8.8796 8.8796 9.4366 9.4366 9.6698 9.6698 9.7738 9.7738 10.0074 10.0074 10.2683 10.2683 10.3903 10.3903 11.1503 11.1503 12.6468 12.6468 13.3553 13.3553 13.9416 13.9416 14.5791 14.5791 16.2393 16.2393 16.5415 16.5415 k = 0.0901 0.1560 0.6316 ( 3872 PWs) bands (ev): -17.9892 -17.9892 -1.7698 -1.7698 -1.5221 -1.5221 -1.5031 -1.5031 4.3763 4.3763 4.6243 4.6243 5.3805 5.3805 5.4738 5.4738 6.2947 6.2947 6.4219 6.4219 6.5082 6.5082 6.5690 6.5690 6.6061 6.6061 6.7782 6.7782 6.9144 6.9144 7.0968 7.0968 7.5072 7.5072 8.0593 8.0593 8.1930 8.1930 8.3025 8.3025 8.4711 8.4711 8.5592 8.5592 8.6830 8.6830 8.7433 8.7433 8.8991 8.8991 9.4551 9.4551 9.6763 9.6763 9.7731 9.7731 10.0646 10.0646 10.2921 10.2921 10.4217 10.4217 11.2102 11.2102 12.7035 12.7035 13.3551 13.3551 13.9846 13.9846 14.5237 14.5237 16.1279 16.1279 16.4623 16.4623 k = 0.0811 0.1404 0.6316 ( 3868 PWs) bands (ev): -17.9892 -17.9892 -1.7699 -1.7699 -1.5223 -1.5223 -1.5029 -1.5029 4.3462 4.3462 4.6102 4.6102 5.3710 5.3710 5.4609 5.4609 6.3054 6.3054 6.4189 6.4189 6.4953 6.4953 6.5720 6.5720 6.5968 6.5968 6.8021 6.8021 6.9263 6.9263 7.0951 7.0951 7.4954 7.4954 8.0538 8.0538 8.2074 8.2074 8.3089 8.3089 8.4473 8.4473 8.5746 8.5746 8.6669 8.6669 8.7382 8.7382 8.9199 8.9199 9.4720 9.4720 9.6819 9.6819 9.7705 9.7705 10.1226 10.1226 10.3131 10.3131 10.4521 10.4521 11.2706 11.2706 12.7564 12.7564 13.3567 13.3567 14.0251 14.0251 14.4773 14.4773 16.0149 16.0149 16.3896 16.3896 k = 0.0721 0.1248 0.6316 ( 3856 PWs) bands (ev): -17.9892 -17.9892 -1.7699 -1.7699 -1.5225 -1.5225 -1.5026 -1.5026 4.3190 4.3190 4.5975 4.5975 5.3622 5.3622 5.4494 5.4494 6.3147 6.3147 6.4161 6.4161 6.4804 6.4804 6.5714 6.5714 6.5933 6.5933 6.8257 6.8257 6.9375 6.9375 7.0950 7.0950 7.4852 7.4852 8.0481 8.0481 8.2222 8.2222 8.3147 8.3147 8.4245 8.4245 8.5787 8.5787 8.6576 8.6576 8.7333 8.7333 8.9402 8.9402 9.4875 9.4875 9.6867 9.6867 9.7681 9.7681 10.1776 10.1776 10.3314 10.3314 10.4810 10.4810 11.3307 11.3307 12.8045 12.8045 13.3610 13.3610 14.0620 14.0620 14.4404 14.4404 15.9035 15.9035 16.3219 16.3219 k = 0.0631 0.1092 0.6316 ( 3848 PWs) bands (ev): -17.9892 -17.9892 -1.7700 -1.7700 -1.5227 -1.5227 -1.5024 -1.5024 4.2948 4.2948 4.5862 4.5862 5.3543 5.3543 5.4393 5.4393 6.3230 6.3230 6.4135 6.4135 6.4646 6.4646 6.5677 6.5677 6.5945 6.5945 6.8484 6.8484 6.9478 6.9478 7.0960 7.0960 7.4766 7.4766 8.0426 8.0426 8.2371 8.2371 8.3200 8.3200 8.4031 8.4031 8.5694 8.5694 8.6580 8.6580 8.7291 8.7291 8.9591 8.9591 9.5014 9.5014 9.6908 9.6908 9.7665 9.7665 10.2276 10.2276 10.3474 10.3474 10.5080 10.5080 11.3890 11.3890 12.8466 12.8466 13.3686 13.3686 14.0944 14.0944 14.4136 14.4136 15.7964 15.7964 16.2581 16.2581 k = 0.0541 0.0936 0.6316 ( 3850 PWs) bands (ev): -17.9892 -17.9892 -1.7700 -1.7700 -1.5229 -1.5229 -1.5022 -1.5022 4.2735 4.2735 4.5764 4.5764 5.3472 5.3472 5.4306 5.4306 6.3304 6.3304 6.4111 6.4111 6.4490 6.4490 6.5632 6.5632 6.5973 6.5973 6.8695 6.8695 6.9569 6.9569 7.0977 7.0977 7.4694 7.4694 8.0376 8.0376 8.2521 8.2521 8.3245 8.3245 8.3833 8.3833 8.5515 8.5515 8.6641 8.6641 8.7260 8.7260 8.9760 8.9760 9.5135 9.5135 9.6941 9.6941 9.7659 9.7659 10.2717 10.2717 10.3611 10.3611 10.5327 10.5327 11.4441 11.4441 12.8820 12.8820 13.3798 13.3798 14.1215 14.1215 14.3969 14.3969 15.6961 15.6961 16.1973 16.1973 k = 0.0450 0.0780 0.6316 ( 3850 PWs) bands (ev): -17.9892 -17.9892 -1.7701 -1.7701 -1.5231 -1.5231 -1.5021 -1.5021 4.2554 4.2554 4.5681 4.5681 5.3410 5.3410 5.4233 5.4233 6.3374 6.3374 6.4091 6.4091 6.4341 6.4341 6.5591 6.5591 6.6002 6.6002 6.8885 6.8885 6.9648 6.9648 7.0997 7.0997 7.4636 7.4636 8.0335 8.0335 8.2671 8.2671 8.3282 8.3282 8.3658 8.3658 8.5303 8.5303 8.6711 8.6711 8.7241 8.7241 8.9906 8.9906 9.5239 9.5239 9.6967 9.6967 9.7661 9.7661 10.3090 10.3090 10.3727 10.3727 10.5546 10.5546 11.4944 11.4944 12.9103 12.9103 13.3940 13.3940 14.1430 14.1430 14.3893 14.3893 15.6050 15.6050 16.1392 16.1392 k = 0.0360 0.0624 0.6316 ( 3854 PWs) bands (ev): -17.9892 -17.9892 -1.7701 -1.7701 -1.5232 -1.5232 -1.5019 -1.5019 4.2405 4.2405 4.5613 4.5613 5.3359 5.3359 5.4174 5.4174 6.3440 6.3440 6.4074 6.4074 6.4202 6.4202 6.5557 6.5557 6.6028 6.6028 6.9048 6.9048 6.9713 6.9713 7.1017 7.1017 7.4591 7.4591 8.0303 8.0303 8.2817 8.2817 8.3307 8.3307 8.3511 8.3511 8.5089 8.5089 8.6769 8.6769 8.7235 8.7235 9.0027 9.0027 9.5324 9.5324 9.6988 9.6988 9.7667 9.7667 10.3394 10.3394 10.3823 10.3823 10.5733 10.5733 11.5382 11.5382 12.9319 12.9319 13.4101 13.4101 14.1593 14.1593 14.3887 14.3887 15.5256 15.5256 16.0841 16.0841 k = 0.0270 0.0468 0.6316 ( 3854 PWs) bands (ev): -17.9893 -17.9893 -1.7702 -1.7702 -1.5233 -1.5233 -1.5018 -1.5018 4.2288 4.2288 4.5560 4.5560 5.3318 5.3318 5.4128 5.4128 6.3507 6.3507 6.4058 6.4058 6.4079 6.4079 6.5531 6.5531 6.6048 6.6048 6.9180 6.9180 6.9765 6.9765 7.1034 7.1034 7.4557 7.4557 8.0279 8.0279 8.2954 8.2954 8.3306 8.3306 8.3413 8.3413 8.4889 8.4889 8.6808 8.6808 8.7239 8.7239 9.0122 9.0122 9.5391 9.5391 9.7003 9.7003 9.7676 9.7676 10.3626 10.3626 10.3900 10.3900 10.5884 10.5884 11.5740 11.5740 12.9473 12.9473 13.4259 13.4259 14.1712 14.1712 14.3924 14.3924 15.4604 15.4604 16.0344 16.0344 k = 0.0180 0.0312 0.6316 ( 3866 PWs) bands (ev): -17.9893 -17.9893 -1.7702 -1.7702 -1.5234 -1.5234 -1.5018 -1.5018 4.2205 4.2205 4.5522 4.5522 5.3289 5.3289 5.4096 5.4096 6.3573 6.3573 6.3964 6.3964 6.4052 6.4052 6.5513 6.5513 6.6063 6.6063 6.9278 6.9278 6.9802 6.9802 7.1046 7.1046 7.4535 7.4535 8.0263 8.0263 8.3068 8.3068 8.3260 8.3260 8.3390 8.3390 8.4722 8.4722 8.6832 8.6832 8.7248 8.7248 9.0190 9.0190 9.5439 9.5439 9.7014 9.7014 9.7684 9.7684 10.3786 10.3786 10.3959 10.3959 10.5995 10.5995 11.6007 11.6007 12.9574 12.9574 13.4395 13.4395 14.1795 14.1795 14.3973 14.3973 15.4117 15.4117 15.9940 15.9940 k = 0.0090 0.0156 0.6316 ( 3862 PWs) bands (ev): -17.9893 -17.9893 -1.7702 -1.7702 -1.5234 -1.5234 -1.5017 -1.5017 4.2154 4.2154 4.5499 4.5499 5.3271 5.3271 5.4077 5.4077 6.3637 6.3637 6.3872 6.3872 6.4046 6.4046 6.5501 6.5501 6.6072 6.6072 6.9337 6.9337 6.9824 6.9824 7.1054 7.1054 7.4522 7.4522 8.0255 8.0255 8.3135 8.3135 8.3230 8.3230 8.3392 8.3392 8.4606 8.4606 8.6844 8.6844 8.7256 8.7256 9.0231 9.0231 9.5468 9.5468 9.7021 9.7021 9.7690 9.7690 10.3874 10.3874 10.4002 10.4002 10.6063 10.6063 11.6170 11.6170 12.9632 12.9632 13.4486 13.4486 14.1844 14.1844 14.4012 14.4012 15.3815 15.3815 15.9675 15.9675 k = 0.0000 0.0000 0.6316 ( 3882 PWs) bands (ev): -17.9893 -17.9893 -1.7703 -1.7703 -1.5235 -1.5235 -1.5017 -1.5017 4.2137 4.2137 4.5491 4.5491 5.3265 5.3265 5.4070 5.4070 6.3674 6.3674 6.3826 6.3826 6.4044 6.4044 6.5498 6.5498 6.6075 6.6075 6.9358 6.9358 6.9832 6.9832 7.1056 7.1056 7.4517 7.4517 8.0252 8.0252 8.3144 8.3144 8.3234 8.3234 8.3394 8.3394 8.4564 8.4564 8.6847 8.6847 8.7259 8.7259 9.0245 9.0245 9.5478 9.5478 9.7023 9.7023 9.7692 9.7692 10.3901 10.3901 10.4019 10.4019 10.6086 10.6086 11.6226 11.6226 12.9650 12.9650 13.4518 13.4518 14.1861 14.1861 14.4027 14.4027 15.3713 15.3713 15.9582 15.9582 k = 0.5000 0.2887 0.6316 ( 3860 PWs) bands (ev): -17.9888 -17.9888 -1.7681 -1.7681 -1.5204 -1.5204 -1.5033 -1.5033 5.0052 5.0052 5.0856 5.0856 5.7090 5.7090 5.7384 5.7384 5.9682 5.9682 6.2851 6.2851 6.4236 6.4236 6.6073 6.6073 6.6937 6.6937 6.7617 6.7617 7.1393 7.1393 7.2669 7.2669 7.6129 7.6129 7.6799 7.6799 7.9613 7.9613 7.9761 7.9761 8.2653 8.2653 8.4369 8.4369 8.5148 8.5148 8.9209 8.9209 8.9444 8.9444 9.1242 9.1242 9.1587 9.1587 9.2717 9.2717 9.9556 9.9556 10.0513 10.0513 10.4199 10.4199 10.4722 10.4722 11.4257 11.4257 13.6583 13.6583 14.1781 14.1781 14.4119 14.4119 16.7658 16.7658 18.4905 18.4905 k = 0.5000 0.2887 0.6141 ( 3860 PWs) bands (ev): -17.9888 -17.9888 -1.7681 -1.7681 -1.5204 -1.5204 -1.5033 -1.5033 5.0018 5.0018 5.0826 5.0826 5.7095 5.7095 5.7431 5.7431 5.9696 5.9696 6.2847 6.2847 6.4249 6.4249 6.6067 6.6067 6.6918 6.6918 6.7626 6.7626 7.1394 7.1394 7.2659 7.2659 7.6089 7.6089 7.6834 7.6834 7.9602 7.9602 7.9763 7.9763 8.2667 8.2667 8.4336 8.4336 8.5164 8.5164 8.9161 8.9161 8.9466 8.9466 9.1230 9.1230 9.1642 9.1642 9.2680 9.2680 9.9426 9.9426 10.0589 10.0589 10.4155 10.4155 10.4836 10.4836 11.4384 11.4384 13.6447 13.6447 14.1678 14.1678 14.4344 14.4344 16.7699 16.7699 18.4859 18.4859 k = 0.5000 0.2887 0.5965 ( 3864 PWs) bands (ev): -17.9888 -17.9888 -1.7680 -1.7680 -1.5203 -1.5203 -1.5033 -1.5033 4.9914 4.9914 5.0746 5.0746 5.7109 5.7109 5.7563 5.7563 5.9734 5.9734 6.2834 6.2834 6.4289 6.4289 6.6049 6.6049 6.6865 6.6865 6.7651 6.7651 7.1397 7.1397 7.2630 7.2630 7.5985 7.5985 7.6920 7.6920 7.9567 7.9567 7.9771 7.9771 8.2710 8.2710 8.4244 8.4244 8.5203 8.5203 8.9053 8.9053 8.9499 8.9499 9.1220 9.1220 9.1766 9.1766 9.2588 9.2588 9.9143 9.9143 10.0699 10.0699 10.4069 10.4069 10.5144 10.5144 11.4753 11.4753 13.6070 13.6070 14.1428 14.1428 14.4931 14.4931 16.7820 16.7820 18.4724 18.4724 k = 0.5000 0.2887 0.5790 ( 3860 PWs) bands (ev): -17.9888 -17.9888 -1.7679 -1.7679 -1.5200 -1.5200 -1.5033 -1.5033 4.9731 4.9731 5.0636 5.0636 5.7136 5.7136 5.7766 5.7766 5.9797 5.9797 6.2812 6.2812 6.4354 6.4354 6.6020 6.6020 6.6783 6.6783 6.7687 6.7687 7.1400 7.1400 7.2585 7.2585 7.5846 7.5846 7.7028 7.7028 7.9512 7.9512 7.9787 7.9787 8.2777 8.2777 8.4113 8.4113 8.5248 8.5248 8.8921 8.8921 8.9518 8.9518 9.1233 9.1233 9.1859 9.1859 9.2521 9.2521 9.8822 9.8822 10.0713 10.0713 10.3979 10.3979 10.5632 10.5632 11.5341 11.5341 13.5517 13.5517 14.1103 14.1103 14.5749 14.5749 16.8016 16.8016 18.4504 18.4504 k = 0.5000 0.2887 0.5614 ( 3860 PWs) bands (ev): -17.9889 -17.9889 -1.7678 -1.7678 -1.5198 -1.5198 -1.5032 -1.5032 4.9470 4.9470 5.0517 5.0517 5.7176 5.7176 5.8020 5.8020 5.9880 5.9880 6.2781 6.2781 6.4447 6.4447 6.5980 6.5980 6.6677 6.6677 6.7729 6.7729 7.1400 7.1400 7.2529 7.2529 7.5686 7.5686 7.7135 7.7135 7.9445 7.9445 7.9811 7.9811 8.2861 8.2861 8.3957 8.3957 8.5288 8.5288 8.8781 8.8781 8.9525 8.9525 9.1264 9.1264 9.1784 9.1784 9.2624 9.2624 9.8505 9.8505 10.0602 10.0602 10.3889 10.3889 10.6295 10.6295 11.6116 11.6116 13.4855 13.4855 14.0721 14.0721 14.6715 14.6715 16.8280 16.8280 18.4206 18.4206 k = 0.5000 0.2887 0.5439 ( 3874 PWs) bands (ev): -17.9889 -17.9889 -1.7676 -1.7676 -1.5195 -1.5195 -1.5032 -1.5032 4.9139 4.9139 5.0398 5.0398 5.7227 5.7227 5.8306 5.8306 5.9980 5.9980 6.2741 6.2741 6.4568 6.4568 6.5929 6.5929 6.6553 6.6553 6.7775 6.7775 7.1390 7.1390 7.2469 7.2469 7.5511 7.5511 7.7224 7.7224 7.9376 7.9376 7.9843 7.9843 8.2953 8.2953 8.3791 8.3791 8.5315 8.5315 8.8639 8.8639 8.9530 8.9530 9.1262 9.1262 9.1610 9.1610 9.2886 9.2886 9.8201 9.8201 10.0391 10.0391 10.3793 10.3793 10.7114 10.7114 11.7046 11.7046 13.4135 13.4135 14.0287 14.0287 14.7783 14.7783 16.8602 16.8602 18.3838 18.3838 k = 0.5000 0.2887 0.5263 ( 3856 PWs) bands (ev): -17.9890 -17.9890 -1.7673 -1.7673 -1.5191 -1.5191 -1.5030 -1.5030 4.8755 4.8755 5.0282 5.0282 5.7290 5.7290 5.8605 5.8605 6.0095 6.0095 6.2694 6.2694 6.4716 6.4716 6.5869 6.5869 6.6413 6.6413 6.7821 6.7821 7.1365 7.1365 7.2413 7.2413 7.5325 7.5325 7.7279 7.7279 7.9324 7.9324 7.9881 7.9881 8.3037 8.3037 8.3634 8.3634 8.5327 8.5327 8.8501 8.8501 8.9542 8.9542 9.1087 9.1087 9.1563 9.1563 9.3223 9.3223 9.7911 9.7911 10.0118 10.0118 10.3684 10.3684 10.8060 10.8060 11.8103 11.8103 13.3393 13.3393 13.9801 13.9801 14.8927 14.8927 16.8970 16.8970 18.3411 18.3411 k = 0.5000 0.2887 0.5088 ( 3868 PWs) bands (ev): -17.9891 -17.9891 -1.7671 -1.7671 -1.5187 -1.5187 -1.5028 -1.5028 4.8334 4.8334 5.0168 5.0168 5.7365 5.7365 5.8898 5.8898 6.0224 6.0224 6.2640 6.2640 6.4890 6.4890 6.5801 6.5801 6.6262 6.6262 6.7866 6.7866 7.1318 7.1318 7.2369 7.2369 7.5130 7.5130 7.7283 7.7283 7.9307 7.9307 7.9924 7.9924 8.3075 8.3075 8.3522 8.3522 8.5323 8.5323 8.8374 8.8374 8.9568 8.9568 9.0793 9.0793 9.1629 9.1629 9.3600 9.3600 9.7633 9.7633 9.9813 9.9813 10.3558 10.3558 10.9108 10.9108 11.9263 11.9263 13.2651 13.2651 13.9267 13.9267 15.0130 15.0130 16.9370 16.9370 18.2932 18.2933 k = 0.5000 0.2887 0.4913 ( 3868 PWs) bands (ev): -17.9891 -17.9891 -1.7668 -1.7668 -1.5184 -1.5184 -1.5025 -1.5025 4.7888 4.7888 5.0057 5.0057 5.7451 5.7451 5.9166 5.9166 6.0368 6.0368 6.2581 6.2581 6.5088 6.5088 6.5726 6.5726 6.6103 6.6103 6.7908 6.7908 7.1244 7.1244 7.2343 7.2343 7.4928 7.4928 7.7226 7.7226 7.9338 7.9338 7.9972 7.9972 8.3017 8.3017 8.3506 8.3506 8.5306 8.5306 8.8265 8.8265 8.9610 8.9610 9.0481 9.0481 9.1725 9.1725 9.4000 9.4000 9.7369 9.7369 9.9498 9.9498 10.3412 10.3412 11.0238 11.0238 12.0506 12.0506 13.1927 13.1927 13.8692 13.8692 15.1379 15.1379 16.9789 16.9789 18.2413 18.2413 k = 0.5000 0.2887 0.4737 ( 3868 PWs) bands (ev): -17.9892 -17.9892 -1.7665 -1.7665 -1.5181 -1.5181 -1.5020 -1.5020 4.7427 4.7427 4.9950 4.9950 5.7547 5.7547 5.9393 5.9393 6.0529 6.0529 6.2518 6.2518 6.5302 6.5302 6.5647 6.5647 6.5938 6.5938 6.7942 6.7942 7.1145 7.1145 7.2330 7.2330 7.4722 7.4722 7.7112 7.7112 7.9422 7.9422 8.0022 8.0022 8.2888 8.2888 8.3557 8.3557 8.5283 8.5283 8.8177 8.8177 8.9662 8.9662 9.0186 9.0186 9.1831 9.1831 9.4406 9.4406 9.7125 9.7125 9.9186 9.9186 10.3246 10.3246 11.1437 11.1437 12.1811 12.1811 13.1234 13.1234 13.8083 13.8083 15.2668 15.2668 17.0212 17.0212 18.1862 18.1862 k = 0.5000 0.2887 0.4562 ( 3870 PWs) bands (ev): -17.9893 -17.9893 -1.7661 -1.7661 -1.5180 -1.5180 -1.5014 -1.5014 4.6958 4.6958 4.9849 4.9849 5.7655 5.7655 5.9568 5.9568 6.0707 6.0707 6.2455 6.2455 6.5498 6.5498 6.5594 6.5594 6.5772 6.5772 6.7968 6.7968 7.1029 7.1029 7.2322 7.2322 7.4515 7.4515 7.6959 7.6959 7.9550 7.9550 8.0074 8.0074 8.2742 8.2742 8.3618 8.3618 8.5263 8.5263 8.8117 8.8117 8.9676 8.9676 8.9963 8.9963 9.1941 9.1941 9.4792 9.4792 9.6921 9.6921 9.8884 9.8884 10.3059 10.3059 11.2695 11.2695 12.3157 12.3157 13.0588 13.0588 13.7449 13.7449 15.3990 15.3990 17.0624 17.0624 18.1287 18.1287 k = 0.5000 0.2887 0.4386 ( 3874 PWs) bands (ev): -17.9894 -17.9894 -1.7658 -1.7658 -1.5179 -1.5179 -1.5006 -1.5006 4.6487 4.6487 4.9755 4.9755 5.7772 5.7772 5.9686 5.9686 6.0896 6.0896 6.2393 6.2393 6.5446 6.5446 6.5609 6.5609 6.5787 6.5787 6.7979 6.7979 7.0903 7.0903 7.2307 7.2307 7.4312 7.4312 7.6793 7.6793 7.9708 7.9708 8.0128 8.0128 8.2605 8.2605 8.3662 8.3662 8.5258 8.5258 8.8085 8.8085 8.9520 8.9520 8.9947 8.9947 9.2054 9.2054 9.5105 9.5105 9.6805 9.6805 9.8594 9.8594 10.2850 10.2850 11.4005 11.4005 12.4508 12.4508 13.0014 13.0014 13.6801 13.6801 15.5341 15.5341 17.1012 17.1012 18.0694 18.0694 k = 0.5000 0.2887 0.4211 ( 3874 PWs) bands (ev): -17.9895 -17.9895 -1.7655 -1.7655 -1.5180 -1.5180 -1.4995 -1.4995 4.6018 4.6018 4.9670 4.9670 5.7900 5.7900 5.9753 5.9753 6.1083 6.1083 6.2338 6.2338 6.5324 6.5324 6.5475 6.5475 6.6013 6.6013 6.7972 6.7972 7.0779 7.0779 7.2271 7.2271 7.4118 7.4118 7.6637 7.6637 7.9876 7.9876 8.0192 8.0192 8.2487 8.2487 8.3678 8.3678 8.5280 8.5280 8.8079 8.8079 8.9293 8.9293 9.0038 9.0038 9.2169 9.2169 9.5264 9.5264 9.6855 9.6855 9.8320 9.8320 10.2619 10.2619 11.5360 11.5360 12.5787 12.5787 12.9577 12.9577 13.6157 13.6157 15.6717 15.6717 17.1361 17.1361 18.0091 18.0091 k = 0.5000 0.2887 0.4035 ( 3870 PWs) bands (ev): -17.9896 -17.9896 -1.7651 -1.7651 -1.5181 -1.5181 -1.4983 -1.4983 4.5555 4.5555 4.9596 4.9596 5.8037 5.8037 5.9775 5.9775 6.1254 6.1254 6.2293 6.2293 6.5167 6.5167 6.5373 6.5373 6.6223 6.6223 6.7941 6.7941 7.0665 7.0665 7.2207 7.2207 7.3941 7.3941 7.6513 7.6513 8.0015 8.0015 8.0295 8.0295 8.2394 8.2394 8.3664 8.3664 8.5331 8.5331 8.8092 8.8092 8.9079 8.9079 9.0154 9.0154 9.2284 9.2284 9.5231 9.5231 9.7091 9.7091 9.8073 9.8073 10.2367 10.2367 11.6757 11.6757 12.6770 12.6770 12.9473 12.9473 13.5544 13.5544 15.8115 15.8115 17.1660 17.1660 17.9482 17.9482 k = 0.5000 0.2887 0.3860 ( 3866 PWs) bands (ev): -17.9897 -17.9897 -1.7648 -1.7648 -1.5184 -1.5184 -1.4969 -1.4969 4.5100 4.5100 4.9535 4.9535 5.8183 5.8183 5.9759 5.9759 6.1394 6.1394 6.2266 6.2266 6.4992 6.4992 6.5291 6.5291 6.6397 6.6397 6.7882 6.7882 7.0569 7.0569 7.2115 7.2115 7.3786 7.3786 7.6434 7.6434 8.0091 8.0091 8.0466 8.0466 8.2330 8.2330 8.3630 8.3630 8.5412 8.5412 8.8113 8.8113 8.8896 8.8896 9.0281 9.0281 9.2400 9.2400 9.5073 9.5073 9.7370 9.7370 9.7926 9.7926 10.2094 10.2094 11.8190 11.8190 12.7093 12.7093 13.0006 13.0006 13.5025 13.5025 15.9532 15.9532 17.1899 17.1899 17.8874 17.8874 k = 0.5000 0.2887 0.3684 ( 3868 PWs) bands (ev): -17.9898 -17.9898 -1.7645 -1.7645 -1.5188 -1.5188 -1.4953 -1.4953 4.4656 4.4656 4.9487 4.9487 5.8337 5.8337 5.9713 5.9713 6.1491 6.1491 6.2263 6.2263 6.4810 6.4810 6.5218 6.5218 6.6514 6.6514 6.7794 6.7794 7.0499 7.0499 7.2004 7.2004 7.3657 7.3657 7.6404 7.6404 8.0124 8.0124 8.0681 8.0681 8.2297 8.2297 8.3587 8.3587 8.5515 8.5515 8.8117 8.8117 8.8767 8.8767 9.0411 9.0411 9.2517 9.2517 9.4856 9.4856 9.7353 9.7353 9.8147 9.8147 10.1803 10.1803 11.9657 11.9657 12.6913 12.6913 13.0858 13.0858 13.4764 13.4764 16.0964 16.0964 17.2071 17.2071 17.8270 17.8270 k = 0.5000 0.2887 0.3509 ( 3866 PWs) bands (ev): -17.9900 -17.9900 -1.7642 -1.7642 -1.5192 -1.5192 -1.4936 -1.4936 4.4224 4.4224 4.9455 4.9455 5.8498 5.8498 5.9642 5.9642 6.1542 6.1542 6.2286 6.2286 6.4625 6.4625 6.5149 6.5149 6.6551 6.6551 6.7682 6.7682 7.0457 7.0457 7.1889 7.1889 7.3560 7.3560 7.6419 7.6419 8.0141 8.0141 8.0916 8.0916 8.2289 8.2289 8.3548 8.3548 8.5633 8.5633 8.8075 8.8075 8.8717 8.8717 9.0541 9.0541 9.2634 9.2634 9.4614 9.4614 9.7142 9.7142 9.8596 9.8596 10.1494 10.1494 12.1153 12.1153 12.6575 12.6575 13.1347 13.1347 13.5098 13.5098 16.2410 16.2410 17.2173 17.2173 17.7675 17.7675 k = 0.5000 0.2887 0.3333 ( 3862 PWs) bands (ev): -17.9901 -17.9901 -1.7639 -1.7639 -1.5197 -1.5197 -1.4918 -1.4918 4.3807 4.3807 4.9437 4.9437 5.8664 5.8664 5.9552 5.9552 6.1552 6.1552 6.2329 6.2329 6.4440 6.4440 6.5082 6.5082 6.6482 6.6482 6.7565 6.7565 7.0440 7.0440 7.1782 7.1782 7.3505 7.3505 7.6470 7.6470 8.0155 8.0155 8.1160 8.1160 8.2304 8.2304 8.3526 8.3526 8.5763 8.5763 8.7984 8.7984 8.8747 8.8747 9.0668 9.0668 9.2752 9.2752 9.4361 9.4361 9.6900 9.6900 9.9093 9.9093 10.1173 10.1173 12.2674 12.2674 12.6206 12.6206 13.1230 13.1230 13.6146 13.6146 16.3866 16.3866 17.2205 17.2205 17.7093 17.7093 k = 0.5000 0.2887 0.3158 ( 3862 PWs) bands (ev): -17.9902 -17.9902 -1.7636 -1.7636 -1.5203 -1.5203 -1.4899 -1.4899 4.3405 4.3405 4.9437 4.9437 5.8832 5.8832 5.9450 5.9450 6.1533 6.1533 6.2382 6.2382 6.4254 6.4254 6.5011 6.5011 6.6294 6.6294 6.7459 6.7459 7.0439 7.0439 7.1690 7.1690 7.3502 7.3502 7.6541 7.6541 8.0177 8.0177 8.1407 8.1407 8.2332 8.2332 8.3530 8.3530 8.5899 8.5899 8.7866 8.7866 8.8828 8.8828 9.0788 9.0788 9.2870 9.2870 9.4105 9.4105 9.6650 9.6650 9.9595 9.9595 10.0846 10.0846 12.4214 12.4214 12.5844 12.5844 13.0784 13.0784 13.7597 13.7597 16.5329 16.5329 17.2169 17.2169 17.6527 17.6527 k = 0.5000 0.2887 0.2983 ( 3856 PWs) bands (ev): -17.9903 -17.9903 -1.7634 -1.7634 -1.5209 -1.5209 -1.4879 -1.4879 4.3020 4.3020 4.9453 4.9453 5.8991 5.8991 5.9350 5.9350 6.1496 6.1496 6.2434 6.2434 6.4071 6.4071 6.4929 6.4929 6.6002 6.6002 6.7369 6.7369 7.0444 7.0444 7.1610 7.1610 7.3561 7.3561 7.6620 7.6620 8.0215 8.0215 8.1656 8.1656 8.2368 8.2368 8.3568 8.3568 8.6039 8.6039 8.7742 8.7742 8.8934 8.8934 9.0900 9.0900 9.2988 9.2988 9.3851 9.3851 9.6398 9.6398 10.0046 10.0046 10.0561 10.0561 12.5502 12.5502 12.5759 12.5759 13.0228 13.0228 13.9228 13.9228 16.6793 16.6793 17.2075 17.2075 17.5979 17.5979 k = 0.5000 0.2887 0.2807 ( 3856 PWs) bands (ev): -17.9904 -17.9904 -1.7632 -1.7632 -1.5216 -1.5216 -1.4859 -1.4859 4.2653 4.2653 4.9485 4.9485 5.9075 5.9075 5.9320 5.9320 6.1449 6.1449 6.2482 6.2482 6.3890 6.3890 6.4826 6.4826 6.5642 6.5642 6.7287 6.7287 7.0445 7.0445 7.1541 7.1541 7.3682 7.3682 7.6696 7.6696 8.0274 8.0274 8.1901 8.1901 8.2408 8.2408 8.3644 8.3644 8.6183 8.6183 8.7625 8.7625 8.9050 8.9050 9.1001 9.1001 9.3105 9.3105 9.3600 9.3600 9.6147 9.6147 10.0031 10.0031 10.0731 10.0731 12.5187 12.5187 12.7253 12.7253 12.9698 12.9698 14.0952 14.0952 16.8250 16.8250 17.1933 17.1933 17.5453 17.5453 k = 0.5000 0.2887 0.2632 ( 3854 PWs) bands (ev): -17.9905 -17.9905 -1.7630 -1.7630 -1.5222 -1.5222 -1.4839 -1.4839 4.2305 4.2305 4.9535 4.9535 5.9003 5.9003 5.9440 5.9440 6.1396 6.1396 6.2523 6.2523 6.3714 6.3714 6.4675 6.4675 6.5265 6.5265 6.7208 6.7208 7.0434 7.0434 7.1481 7.1481 7.3860 7.3860 7.6760 7.6760 8.0357 8.0357 8.2141 8.2141 8.2454 8.2454 8.3756 8.3756 8.6330 8.6330 8.7518 8.7518 8.9167 8.9167 9.1088 9.1088 9.3215 9.3215 9.3362 9.3362 9.5897 9.5897 9.9704 9.9704 10.1198 10.1198 12.4899 12.4899 12.8243 12.8243 12.9679 12.9679 14.2734 14.2734 16.9674 16.9674 17.1773 17.1773 17.4951 17.4951 k = 0.5000 0.2887 0.2456 ( 3866 PWs) bands (ev): -17.9907 -17.9907 -1.7629 -1.7629 -1.5229 -1.5229 -1.4819 -1.4819 4.1976 4.1976 4.9601 4.9601 5.8882 5.8882 5.9605 5.9605 6.1341 6.1341 6.2557 6.2557 6.3544 6.3544 6.4414 6.4414 6.4957 6.4957 6.7128 6.7128 7.0409 7.0409 7.1433 7.1433 7.4082 7.4082 7.6809 7.6809 8.0462 8.0462 8.2357 8.2357 8.2525 8.2525 8.3899 8.3899 8.6477 8.6477 8.7427 8.7427 8.9275 8.9275 9.1162 9.1162 9.3114 9.3114 9.3342 9.3342 9.5650 9.5650 9.9349 9.9349 10.1679 10.1679 12.4638 12.4638 12.7995 12.7995 13.0918 13.0918 14.4556 14.4556 17.0865 17.0865 17.1799 17.1799 17.4475 17.4475 k = 0.5000 0.2887 0.2281 ( 3866 PWs) bands (ev): -17.9908 -17.9908 -1.7628 -1.7628 -1.5235 -1.5235 -1.4798 -1.4798 4.1668 4.1668 4.9683 4.9683 5.8752 5.8752 5.9770 5.9770 6.1289 6.1289 6.2584 6.2584 6.3381 6.3381 6.4026 6.4026 6.4755 6.4755 6.7044 6.7044 7.0371 7.0371 7.1398 7.1398 7.4332 7.4332 7.6841 7.6841 8.0585 8.0585 8.2495 8.2495 8.2683 8.2683 8.4066 8.4066 8.6623 8.6623 8.7355 8.7355 8.9367 8.9367 9.1220 9.1220 9.2897 9.2897 9.3448 9.3448 9.5407 9.5407 9.8992 9.8992 10.2149 10.2149 12.4404 12.4404 12.7442 12.7442 13.2487 13.2487 14.6409 14.6409 17.1025 17.1025 17.2803 17.2803 17.4031 17.4031 k = 0.5000 0.2887 0.2105 ( 3878 PWs) bands (ev): -17.9909 -17.9909 -1.7627 -1.7627 -1.5241 -1.5241 -1.4779 -1.4779 4.1380 4.1380 4.9780 4.9780 5.8621 5.8621 5.9921 5.9921 6.1241 6.1241 6.2601 6.2601 6.3223 6.3223 6.3595 6.3595 6.4601 6.4601 6.6954 6.6954 7.0323 7.0323 7.1376 7.1376 7.4595 7.4595 7.6858 7.6858 8.0717 8.0717 8.2589 8.2589 8.2900 8.2900 8.4249 8.4249 8.6758 8.6758 8.7312 8.7312 8.9434 8.9434 9.1263 9.1263 9.2696 9.2696 9.3551 9.3551 9.5171 9.5171 9.8638 9.8638 10.2601 10.2601 12.4195 12.4195 12.6862 12.6862 13.4114 13.4114 14.8283 14.8283 17.0795 17.0795 17.3564 17.3564 17.4186 17.4186 k = 0.5000 0.2887 0.1930 ( 3874 PWs) bands (ev): -17.9910 -17.9910 -1.7626 -1.7626 -1.5247 -1.5247 -1.4760 -1.4760 4.1113 4.1113 4.9891 4.9891 5.8495 5.8495 6.0045 6.0045 6.1202 6.1202 6.2596 6.2596 6.3049 6.3049 6.3212 6.3212 6.4459 6.4459 6.6856 6.6856 7.0271 7.0271 7.1366 7.1366 7.4860 7.4860 7.6861 7.6861 8.0849 8.0849 8.2698 8.2698 8.3125 8.3125 8.4441 8.4441 8.6860 8.6860 8.7318 8.7318 8.9468 8.9468 9.1293 9.1293 9.2517 9.2517 9.3644 9.3644 9.4947 9.4947 9.8295 9.8295 10.3030 10.3030 12.4009 12.4009 12.6295 12.6295 13.5759 13.5759 15.0175 15.0175 17.0512 17.0512 17.3190 17.3190 17.5443 17.5443 k = 0.5000 0.2887 0.1754 ( 3876 PWs) bands (ev): -17.9911 -17.9911 -1.7625 -1.7625 -1.5253 -1.5253 -1.4742 -1.4742 4.0869 4.0869 5.0014 5.0014 5.8374 5.8374 6.0123 6.0123 6.1173 6.1173 6.2513 6.2513 6.2812 6.2812 6.3024 6.3024 6.4321 6.4321 6.6748 6.6748 7.0223 7.0223 7.1363 7.1363 7.5117 7.5117 7.6854 7.6854 8.0972 8.0972 8.2836 8.2836 8.3346 8.3346 8.4638 8.4638 8.6910 8.6910 8.7389 8.7389 8.9461 8.9461 9.1311 9.1311 9.2365 9.2365 9.3721 9.3721 9.4740 9.4740 9.7966 9.7966 10.3433 10.3433 12.3846 12.3846 12.5754 12.5754 13.7407 13.7407 15.2079 15.2079 17.0210 17.0210 17.2827 17.2827 17.6320 17.6320 k = 0.5000 0.2887 0.1579 ( 3878 PWs) bands (ev): -17.9912 -17.9912 -1.7625 -1.7625 -1.5258 -1.5258 -1.4726 -1.4726 4.0646 4.0646 5.0146 5.0146 5.8260 5.8260 6.0135 6.0135 6.1144 6.1144 6.2295 6.2295 6.2695 6.2695 6.2941 6.2941 6.4183 6.4183 6.6628 6.6628 7.0181 7.0181 7.1365 7.1365 7.5359 7.5359 7.6840 7.6840 8.1079 8.1079 8.3010 8.3010 8.3559 8.3559 8.4836 8.4836 8.6917 8.6917 8.7510 8.7510 8.9409 8.9409 9.1324 9.1324 9.2240 9.2240 9.3771 9.3771 9.4564 9.4564 9.7654 9.7654 10.3807 10.3807 12.3703 12.3703 12.5247 12.5247 13.9048 13.9048 15.3989 15.3989 16.9900 16.9900 17.2491 17.2491 17.5915 17.5915 k = 0.5000 0.2887 0.1404 ( 3874 PWs) bands (ev): -17.9913 -17.9913 -1.7624 -1.7624 -1.5263 -1.5263 -1.4710 -1.4710 4.0446 4.0446 5.0285 5.0285 5.8155 5.8155 6.0066 6.0066 6.1097 6.1097 6.2114 6.2114 6.2622 6.2622 6.2916 6.2916 6.4047 6.4047 6.6498 6.6498 7.0150 7.0150 7.1369 7.1369 7.5581 7.5581 7.6821 7.6821 8.1166 8.1166 8.3216 8.3216 8.3761 8.3761 8.5033 8.5033 8.6909 8.6909 8.7647 8.7647 8.9315 8.9315 9.1335 9.1335 9.2139 9.2139 9.3773 9.3773 9.4441 9.4441 9.7363 9.7363 10.4150 10.4150 12.3580 12.3580 12.4780 12.4780 14.0671 14.0671 15.5899 15.5899 16.9579 16.9579 17.2182 17.2182 17.4717 17.4717 k = 0.5000 0.2887 0.1228 ( 3870 PWs) bands (ev): -17.9914 -17.9914 -1.7624 -1.7624 -1.5268 -1.5268 -1.4696 -1.4696 4.0269 4.0269 5.0427 5.0427 5.8059 5.8059 5.9915 5.9915 6.1025 6.1025 6.2045 6.2045 6.2551 6.2551 6.2929 6.2929 6.3914 6.3914 6.6358 6.6358 7.0129 7.0129 7.1374 7.1374 7.5780 7.5780 7.6799 7.6799 8.1235 8.1235 8.3450 8.3450 8.3948 8.3948 8.5226 8.5226 8.6900 8.6900 8.7772 8.7772 8.9188 8.9188 9.1349 9.1349 9.2056 9.2056 9.3712 9.3712 9.4388 9.4388 9.7096 9.7096 10.4458 10.4458 12.3474 12.3474 12.4357 12.4357 14.2262 14.2262 15.7800 15.7800 16.9234 16.9234 17.1889 17.1889 17.3434 17.3434 k = 0.5000 0.2887 0.1053 ( 3866 PWs) bands (ev): -17.9914 -17.9914 -1.7624 -1.7624 -1.5272 -1.5272 -1.4683 -1.4683 4.0116 4.0116 5.0568 5.0568 5.7974 5.7974 5.9702 5.9702 6.0945 6.0945 6.2059 6.2059 6.2496 6.2496 6.2962 6.2962 6.3786 6.3786 6.6213 6.6213 7.0118 7.0118 7.1377 7.1377 7.5955 7.5955 7.6775 7.6775 8.1287 8.1287 8.3701 8.3701 8.4118 8.4118 8.5416 8.5416 8.6897 8.6897 8.7860 8.7860 8.9053 8.9053 9.1366 9.1366 9.1987 9.1987 9.3602 9.3602 9.4394 9.4394 9.6856 9.6856 10.4730 10.4730 12.3384 12.3384 12.3982 12.3982 14.3802 14.3802 15.9680 15.9680 16.8831 16.8831 17.1537 17.1537 17.2334 17.2334 k = 0.5000 0.2887 0.0877 ( 3870 PWs) bands (ev): -17.9915 -17.9915 -1.7624 -1.7624 -1.5275 -1.5275 -1.4673 -1.4673 3.9985 3.9985 5.0703 5.0703 5.7901 5.7901 5.9463 5.9463 6.0878 6.0878 6.2097 6.2097 6.2474 6.2474 6.3009 6.3009 6.3664 6.3664 6.6067 6.6067 7.0115 7.0115 7.1379 7.1379 7.6105 7.6105 7.6749 7.6749 8.1327 8.1327 8.3955 8.3955 8.4268 8.4268 8.5599 8.5599 8.6902 8.6902 8.7878 8.7878 8.8942 8.8942 9.1384 9.1384 9.1927 9.1927 9.3476 9.3476 9.4429 9.4429 9.6646 9.6646 10.4964 10.4964 12.3307 12.3307 12.3662 12.3662 14.5264 14.5264 16.1519 16.1519 16.8302 16.8302 17.0895 17.0895 17.1785 17.1785 k = 0.5000 0.2887 0.0702 ( 3876 PWs) bands (ev): -17.9915 -17.9915 -1.7624 -1.7624 -1.5278 -1.5278 -1.4664 -1.4664 3.9878 3.9878 5.0826 5.0826 5.7839 5.7839 5.9229 5.9229 6.0826 6.0826 6.2118 6.2118 6.2499 6.2499 6.3063 6.3063 6.3552 6.3552 6.5927 6.5927 7.0117 7.0117 7.1380 7.1380 7.6232 7.6232 7.6723 7.6723 8.1356 8.1356 8.4194 8.4194 8.4401 8.4401 8.5775 8.5775 8.6916 8.6916 8.7805 8.7805 8.8885 8.8885 9.1402 9.1402 9.1875 9.1875 9.3355 9.3355 9.4474 9.4474 9.6467 9.6467 10.5158 10.5158 12.3237 12.3237 12.3403 12.3403 14.6612 14.6612 16.3279 16.3279 16.7593 16.7593 17.0269 17.0269 17.1609 17.1609 k = 0.5000 0.2887 0.0526 ( 3868 PWs) bands (ev): -17.9916 -17.9916 -1.7624 -1.7624 -1.5280 -1.5280 -1.4656 -1.4656 3.9794 3.9794 5.0931 5.0931 5.7789 5.7789 5.9026 5.9026 6.0788 6.0788 6.2114 6.2114 6.2559 6.2559 6.3118 6.3118 6.3454 6.3454 6.5802 6.5802 7.0122 7.0122 7.1380 7.1380 7.6336 7.6336 7.6694 7.6694 8.1377 8.1377 8.4384 8.4384 8.4531 8.4531 8.5946 8.5946 8.6934 8.6934 8.7652 8.7652 8.8879 8.8879 9.1419 9.1419 9.1830 9.1830 9.3252 9.3252 9.4518 9.4518 9.6322 9.6322 10.5310 10.5310 12.3134 12.3134 12.3249 12.3249 14.7792 14.7792 16.4885 16.4885 16.6791 16.6791 16.9903 16.9903 17.1591 17.1591 k = 0.5000 0.2887 0.0351 ( 3862 PWs) bands (ev): -17.9916 -17.9916 -1.7624 -1.7624 -1.5282 -1.5282 -1.4651 -1.4651 3.9735 3.9735 5.1011 5.1011 5.7753 5.7753 5.8870 5.8870 6.0762 6.0762 6.2101 6.2101 6.2628 6.2628 6.3164 6.3164 6.3375 6.3375 6.5702 6.5702 7.0128 7.0128 7.1379 7.1379 7.6420 7.6420 7.6664 7.6664 8.1391 8.1391 8.4497 8.4497 8.4666 8.4666 8.6111 8.6111 8.6949 8.6949 8.7468 8.7468 8.8896 8.8896 9.1433 9.1433 9.1795 9.1795 9.3175 9.3175 9.4554 9.4554 9.6216 9.6216 10.5420 10.5420 12.3001 12.3001 12.3197 12.3197 14.8734 14.8734 16.5880 16.5880 16.6388 16.6388 16.9756 16.9756 17.1760 17.1760 k = 0.5000 0.2887 0.0175 ( 3850 PWs) bands (ev): -17.9916 -17.9916 -1.7624 -1.7624 -1.5283 -1.5283 -1.4648 -1.4648 3.9699 3.9699 5.1062 5.1062 5.7730 5.7730 5.8773 5.8773 6.0747 6.0747 6.2090 6.2090 6.2681 6.2681 6.3187 6.3187 6.3329 6.3329 6.5636 6.5636 7.0132 7.0132 7.1378 7.1378 7.6481 7.6481 7.6634 7.6634 8.1399 8.1399 8.4552 8.4552 8.4768 8.4768 8.6251 8.6251 8.6950 8.6950 8.7311 8.7311 8.8914 8.8914 9.1442 9.1442 9.1772 9.1772 9.3127 9.3127 9.4578 9.4578 9.6150 9.6150 10.5486 10.5486 12.2913 12.2913 12.3174 12.3174 14.9351 14.9351 16.5459 16.5459 16.7152 16.7152 16.9753 16.9753 17.2183 17.2183 k = 0.5000 0.2887-0.0000 ( 3852 PWs) bands (ev): -17.9916 -17.9916 -1.7624 -1.7624 -1.5283 -1.5283 -1.4647 -1.4647 3.9687 3.9687 5.1079 5.1079 5.7723 5.7723 5.8740 5.8740 6.0742 6.0742 6.2085 6.2085 6.2701 6.2701 6.3191 6.3191 6.3317 6.3317 6.5613 6.5613 7.0134 7.0134 7.1378 7.1378 7.6508 7.6508 7.6617 7.6617 8.1402 8.1402 8.4569 8.4569 8.4804 8.4804 8.6314 8.6314 8.6941 8.6941 8.7250 8.7250 8.8921 8.8921 9.1446 9.1446 9.1764 9.1764 9.3111 9.3111 9.4587 9.4587 9.6128 9.6128 10.5508 10.5508 12.2883 12.2883 12.3167 12.3167 14.9568 14.9568 16.5278 16.5278 16.7430 16.7430 16.9776 16.9776 17.2550 17.2550 k = 0.3333 0.5774-0.0000 ( 3867 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5302 -1.5302 -1.4676 -1.4676 4.5087 4.5087 4.5516 4.5516 5.8529 5.8529 6.0086 6.0086 6.0159 6.0159 6.0977 6.0977 6.2782 6.2782 6.3316 6.3316 6.4072 6.4072 6.4328 6.4328 6.8491 6.8491 7.6084 7.6084 7.6764 7.6764 7.8654 7.8654 8.0727 8.0727 8.1518 8.1518 8.4384 8.4384 8.6461 8.6461 8.7429 8.7429 8.7989 8.7989 8.8998 8.8998 8.9647 8.9647 9.2960 9.2960 9.4265 9.4265 9.5284 9.5284 9.6543 9.6543 10.1801 10.1801 10.5167 10.5167 15.1244 15.1244 15.2287 15.2287 15.7702 15.7702 16.0021 16.0021 16.2561 16.2561 17.4859 17.4859 k = 0.3333 0.5774 0.0175 ( 3879 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5302 -1.5302 -1.4677 -1.4677 4.5092 4.5092 4.5521 4.5521 5.8529 5.8529 6.0103 6.0103 6.0149 6.0149 6.1013 6.1013 6.2681 6.2681 6.3379 6.3379 6.4043 6.4043 6.4418 6.4418 6.8490 6.8490 7.6074 7.6074 7.6748 7.6748 7.8602 7.8602 8.0724 8.0724 8.1508 8.1508 8.4382 8.4382 8.6425 8.6425 8.7390 8.7390 8.8067 8.8067 8.9006 8.9006 8.9660 8.9660 9.2960 9.2960 9.4253 9.4253 9.5293 9.5293 9.6568 9.6568 10.1806 10.1806 10.5148 10.5148 15.1244 15.1244 15.2290 15.2290 15.7648 15.7648 15.9807 15.9807 16.2375 16.2375 17.5100 17.5100 k = 0.3333 0.5774 0.0351 ( 3867 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5300 -1.5300 -1.4680 -1.4680 4.5108 4.5108 4.5537 4.5537 5.8530 5.8530 6.0123 6.0123 6.0152 6.0152 6.1115 6.1115 6.2476 6.2476 6.3433 6.3433 6.4076 6.4076 6.4602 6.4602 6.8488 6.8488 7.6046 7.6046 7.6701 7.6701 7.8455 7.8455 8.0697 8.0697 8.1492 8.1492 8.4377 8.4377 8.6320 8.6320 8.7313 8.7313 8.8254 8.8254 8.9036 8.9036 8.9698 8.9698 9.2960 9.2960 9.4217 9.4217 9.5320 9.5320 9.6638 9.6638 10.1821 10.1821 10.5092 10.5092 15.1236 15.1236 15.2293 15.2293 15.7477 15.7477 15.9213 15.9213 16.1885 16.1885 17.5770 17.5770 k = 0.3333 0.5774 0.0526 ( 3864 PWs) bands (ev): -17.9915 -17.9915 -1.7623 -1.7623 -1.5298 -1.5298 -1.4685 -1.4685 4.5135 4.5135 4.5562 4.5562 5.8533 5.8533 6.0095 6.0095 6.0227 6.0227 6.1269 6.1269 6.2256 6.2256 6.3386 6.3386 6.4234 6.4234 6.4825 6.4825 6.8483 6.8483 7.5996 7.5996 7.6622 7.6622 7.8232 7.8232 8.0607 8.0607 8.1504 8.1504 8.4367 8.4367 8.6153 8.6153 8.7241 8.7241 8.8482 8.8482 8.9101 8.9101 8.9753 8.9753 9.2961 9.2961 9.4159 9.4159 9.5364 9.5364 9.6752 9.6752 10.1848 10.1848 10.4998 10.4998 15.1193 15.1193 15.2270 15.2270 15.7169 15.7169 15.8359 15.8359 16.1244 16.1244 17.6753 17.6753 k = 0.3333 0.5774 0.0702 ( 3852 PWs) bands (ev): -17.9914 -17.9914 -1.7623 -1.7623 -1.5295 -1.5295 -1.4692 -1.4692 4.5172 4.5172 4.5599 4.5599 5.8539 5.8539 6.0073 6.0073 6.0316 6.0316 6.1466 6.1466 6.2053 6.2053 6.3285 6.3285 6.4455 6.4455 6.5078 6.5078 6.8476 6.8476 7.5923 7.5923 7.6513 7.6513 7.7953 7.7953 8.0442 8.0442 8.1557 8.1557 8.4351 8.4351 8.5935 8.5935 8.7186 8.7186 8.8685 8.8685 8.9239 8.9239 8.9818 8.9818 9.2963 9.2963 9.4083 9.4083 9.5425 9.5425 9.6901 9.6901 10.1892 10.1892 10.4869 10.4869 15.1056 15.1056 15.2166 15.2166 15.6729 15.6729 15.7401 15.7401 16.0613 16.0613 17.7920 17.7920 k = 0.3333 0.5774 0.0877 ( 3858 PWs) bands (ev): -17.9914 -17.9914 -1.7623 -1.7623 -1.5291 -1.5291 -1.4701 -1.4701 4.5221 4.5221 4.5647 4.5647 5.8552 5.8552 6.0063 6.0063 6.0400 6.0400 6.1699 6.1699 6.1892 6.1892 6.3168 6.3168 6.4694 6.4694 6.5353 6.5353 6.8467 6.8467 7.5822 7.5822 7.6375 7.6375 7.7638 7.7638 8.0220 8.0220 8.1637 8.1637 8.4330 8.4330 8.5677 8.5677 8.7147 8.7147 8.8813 8.8813 8.9484 8.9484 8.9883 8.9883 9.2967 9.2967 9.3991 9.3991 9.5500 9.5500 9.7078 9.7078 10.1958 10.1958 10.4705 10.4705 15.0727 15.0727 15.1877 15.1877 15.6239 15.6239 15.6517 15.6517 16.0086 16.0086 17.9088 17.9088 k = 0.3333 0.5774 0.1053 ( 3873 PWs) bands (ev): -17.9913 -17.9913 -1.7623 -1.7623 -1.5287 -1.5287 -1.4712 -1.4712 4.5282 4.5282 4.5706 4.5706 5.8570 5.8570 6.0067 6.0067 6.0453 6.0453 6.1801 6.1801 6.1962 6.1962 6.3051 6.3051 6.4935 6.4935 6.5646 6.5646 6.8455 6.8455 7.5688 7.5688 7.6208 7.6208 7.7303 7.7303 7.9966 7.9966 8.1726 8.1726 8.4306 8.4306 8.5388 8.5388 8.7123 8.7123 8.8882 8.8882 8.9805 8.9805 8.9943 8.9943 9.2972 9.2972 9.3888 9.3888 9.5589 9.5589 9.7273 9.7273 10.2054 10.2054 10.4509 10.4509 15.0083 15.0083 15.1277 15.1277 15.5867 15.5867 15.5886 15.5886 15.9673 15.9673 17.9415 17.9415 k = 0.3333 0.5774 0.1228 ( 3873 PWs) bands (ev): -17.9913 -17.9913 -1.7623 -1.7623 -1.5282 -1.5282 -1.4724 -1.4724 4.5355 4.5355 4.5777 4.5777 5.8594 5.8594 6.0087 6.0087 6.0449 6.0449 6.1806 6.1806 6.2252 6.2252 6.2938 6.2938 6.5173 6.5173 6.5951 6.5951 6.8439 6.8439 7.5514 7.5514 7.6016 7.6016 7.6963 7.6963 7.9701 7.9701 8.1810 8.1810 8.4281 8.4281 8.5076 8.5076 8.7112 8.7112 8.8924 8.8924 8.9993 8.9993 9.0161 9.0161 9.2980 9.2980 9.3775 9.3775 9.5691 9.5691 9.7473 9.7473 10.2188 10.2188 10.4285 10.4285 14.9073 14.9073 15.0312 15.0312 15.5595 15.5595 15.5733 15.5733 15.9334 15.9334 17.9051 17.9051 k = 0.3333 0.5774 0.1404 ( 3879 PWs) bands (ev): -17.9912 -17.9912 -1.7623 -1.7623 -1.5276 -1.5276 -1.4738 -1.4738 4.5441 4.5441 4.5861 4.5861 5.8622 5.8622 6.0122 6.0122 6.0389 6.0389 6.1906 6.1906 6.2566 6.2566 6.2832 6.2832 6.5409 6.5409 6.6260 6.6260 6.8418 6.8418 7.5294 7.5294 7.5800 7.5800 7.6635 7.6635 7.9441 7.9441 8.1881 8.1881 8.4257 8.4257 8.4750 8.4750 8.7110 8.7110 8.8952 8.8952 9.0029 9.0029 9.0528 9.0528 9.2991 9.2991 9.3654 9.3654 9.5802 9.5802 9.7662 9.7662 10.2365 10.2365 10.4044 10.4044 14.7760 14.7760 14.9054 14.9054 15.5606 15.5606 15.5820 15.5820 15.9029 15.9029 17.8592 17.8592 k = 0.3333 0.5774 0.1579 ( 3879 PWs) bands (ev): -17.9911 -17.9911 -1.7624 -1.7624 -1.5269 -1.5269 -1.4754 -1.4754 4.5540 4.5540 4.5959 4.5959 5.8651 5.8651 6.0171 6.0171 6.0294 6.0294 6.2078 6.2078 6.2733 6.2733 6.2901 6.2901 6.5640 6.5640 6.6567 6.6567 6.8391 6.8391 7.5025 7.5025 7.5565 7.5565 7.6329 7.6329 7.9195 7.9195 8.1936 8.1936 8.4238 8.4238 8.4416 8.4416 8.7118 8.7118 8.8971 8.8971 9.0051 9.0051 9.0895 9.0895 9.3004 9.3004 9.3529 9.3529 9.5923 9.5923 9.7826 9.7826 10.2572 10.2572 10.3813 10.3813 14.6249 14.6249 14.7605 14.7605 15.5831 15.5831 15.6058 15.6058 15.8729 15.8729 17.8111 17.8111 k = 0.3333 0.5774 0.1754 ( 3873 PWs) bands (ev): -17.9910 -17.9910 -1.7624 -1.7624 -1.5262 -1.5262 -1.4770 -1.4770 4.5654 4.5654 4.6070 4.6070 5.8676 5.8676 6.0193 6.0193 6.0235 6.0235 6.2292 6.2292 6.2643 6.2643 6.3253 6.3253 6.5867 6.5867 6.6867 6.6867 6.8356 6.8356 7.4712 7.4712 7.5315 7.5315 7.6053 7.6053 7.8972 7.8972 8.1973 8.1973 8.4078 8.4078 8.4226 8.4226 8.7133 8.7133 8.8982 8.8982 9.0058 9.0058 9.1252 9.1252 9.3019 9.3019 9.3405 9.3405 9.6051 9.6051 9.7952 9.7952 10.2723 10.2723 10.3688 10.3688 14.4619 14.4619 14.6043 14.6043 15.6202 15.6202 15.6378 15.6378 15.8429 15.8429 17.7637 17.7637 k = 0.3333 0.5774 0.1930 ( 3867 PWs) bands (ev): -17.9909 -17.9909 -1.7624 -1.7624 -1.5255 -1.5255 -1.4788 -1.4788 4.5781 4.5781 4.6196 4.6196 5.8689 5.8689 6.0108 6.0108 6.0311 6.0311 6.2504 6.2504 6.2588 6.2588 6.3618 6.3618 6.6087 6.6087 6.7152 6.7152 6.8311 6.8311 7.4369 7.4369 7.5055 7.5055 7.5806 7.5806 7.8776 7.8776 8.1992 8.1992 8.3743 8.3743 8.4221 8.4221 8.7155 8.7155 8.8986 8.8986 9.0049 9.0049 9.1587 9.1587 9.3036 9.3036 9.3290 9.3290 9.6185 9.6185 9.8032 9.8032 10.2642 10.2642 10.3855 10.3855 14.2920 14.2920 14.4414 14.4414 15.6676 15.6676 15.6687 15.6687 15.8171 15.8171 17.7189 17.7189 k = 0.3333 0.5774 0.2105 ( 3867 PWs) bands (ev): -17.9908 -17.9908 -1.7625 -1.7625 -1.5246 -1.5246 -1.4807 -1.4807 4.5924 4.5924 4.6337 4.6337 5.8685 5.8685 6.0053 6.0053 6.0398 6.0398 6.2472 6.2472 6.2791 6.2791 6.3991 6.3991 6.6298 6.6298 6.7417 6.7417 6.8253 6.8253 7.4012 7.4012 7.4794 7.4794 7.5589 7.5589 7.8608 7.8608 8.1995 8.1995 8.3413 8.3413 8.4225 8.4225 8.7183 8.7183 8.8984 8.8984 9.0027 9.0027 9.1883 9.1883 9.3055 9.3055 9.3204 9.3204 9.6324 9.6324 9.8061 9.8061 10.2357 10.2357 10.4286 10.4286 14.1180 14.1180 14.2747 14.2747 15.6773 15.6773 15.7228 15.7228 15.8133 15.8133 17.6784 17.6784 k = 0.3333 0.5774 0.2281 ( 3867 PWs) bands (ev): -17.9907 -17.9907 -1.7626 -1.7626 -1.5238 -1.5238 -1.4827 -1.4827 4.6083 4.6083 4.6495 4.6495 5.8658 5.8658 6.0038 6.0038 6.0494 6.0494 6.2405 6.2405 6.3030 6.3030 6.4367 6.4367 6.6495 6.6495 6.7659 6.7659 6.8180 6.8180 7.3658 7.3658 7.4540 7.4540 7.5404 7.5404 7.8469 7.8469 8.1983 8.1983 8.3094 8.3094 8.4236 8.4236 8.7219 8.7219 8.8977 8.8977 8.9993 8.9993 9.2097 9.2097 9.3075 9.3075 9.3189 9.3189 9.6467 9.6467 9.8041 9.8041 10.1985 10.1985 10.4863 10.4863 13.9419 13.9419 14.1060 14.1060 15.6474 15.6474 15.7843 15.7843 15.8458 15.8458 17.6438 17.6438 k = 0.3333 0.5774 0.2456 ( 3861 PWs) bands (ev): -17.9906 -17.9906 -1.7627 -1.7627 -1.5229 -1.5229 -1.4847 -1.4847 4.6258 4.6258 4.6668 4.6668 5.8609 5.8609 6.0064 6.0064 6.0598 6.0598 6.2343 6.2343 6.3252 6.3252 6.4738 6.4738 6.6671 6.6671 6.7872 6.7872 6.8087 6.8087 7.3325 7.3325 7.4304 7.4304 7.5258 7.5258 7.8358 7.8358 8.1960 8.1960 8.2788 8.2788 8.4254 8.4254 8.7260 8.7260 8.8964 8.8964 8.9948 8.9948 9.2179 9.2179 9.3095 9.3095 9.3297 9.3297 9.6612 9.6612 9.7976 9.7976 10.1569 10.1569 10.5536 10.5536 13.7650 13.7650 13.9365 13.9365 15.5930 15.5930 15.8510 15.8510 15.8988 15.8988 17.6160 17.6160 k = 0.3333 0.5774 0.2632 ( 3861 PWs) bands (ev): -17.9905 -17.9905 -1.7628 -1.7628 -1.5220 -1.5220 -1.4867 -1.4867 4.6449 4.6449 4.6859 4.6859 5.8541 5.8541 6.0127 6.0127 6.0706 6.0706 6.2287 6.2287 6.3444 6.3444 6.5096 6.5096 6.6818 6.6818 6.7971 6.7971 6.8054 6.8054 7.3028 7.3028 7.4096 7.4096 7.5157 7.5157 7.8273 7.8273 8.1929 8.1929 8.2498 8.2498 8.4277 8.4277 8.7307 8.7307 8.8948 8.8948 8.9895 8.9895 9.2134 9.2134 9.3116 9.3116 9.3524 9.3524 9.6759 9.6759 9.7869 9.7869 10.1126 10.1126 10.6285 10.6285 13.5882 13.5882 13.7672 13.7672 15.5248 15.5248 15.9219 15.9219 15.9609 15.9609 17.5957 17.5957 k = 0.3333 0.5774 0.2807 ( 3867 PWs) bands (ev): -17.9904 -17.9904 -1.7630 -1.7630 -1.5210 -1.5210 -1.4888 -1.4888 4.6658 4.6658 4.7067 4.7067 5.8463 5.8463 6.0218 6.0218 6.0816 6.0816 6.2236 6.2236 6.3594 6.3594 6.5432 6.5432 6.6926 6.6926 6.7833 6.7833 6.8206 6.8206 7.2786 7.2786 7.3928 7.3928 7.5108 7.5108 7.8212 7.8212 8.1893 8.1893 8.2228 8.2228 8.4304 8.4304 8.7359 8.7359 8.8930 8.8930 8.9837 8.9837 9.2016 9.2016 9.3136 9.3136 9.3820 9.3820 9.6905 9.6905 9.7724 9.7724 10.0663 10.0663 10.7097 10.7097 13.4122 13.4122 13.5986 13.5986 15.4461 15.4461 15.9966 15.9966 16.0284 16.0284 17.5833 17.5833 k = 0.3333 0.5774 0.2983 ( 3867 PWs) bands (ev): -17.9902 -17.9902 -1.7631 -1.7631 -1.5201 -1.5201 -1.4909 -1.4909 4.6884 4.6884 4.7292 4.7292 5.8380 5.8380 6.0329 6.0329 6.0924 6.0924 6.2191 6.2191 6.3692 6.3692 6.5731 6.5731 6.6984 6.6984 6.7676 6.7676 6.8326 6.8326 7.2617 7.2617 7.3811 7.3811 7.5114 7.5114 7.8175 7.8175 8.1856 8.1856 8.1981 8.1981 8.4334 8.4334 8.7415 8.7415 8.8911 8.8911 8.9777 8.9777 9.1861 9.1861 9.3155 9.3155 9.4147 9.4147 9.7052 9.7052 9.7544 9.7544 10.0188 10.0188 10.7963 10.7963 13.2376 13.2376 13.4315 13.4315 15.3584 15.3584 16.0745 16.0745 16.0996 16.0996 17.5787 17.5787 k = 0.3333 0.5774 0.3158 ( 3870 PWs) bands (ev): -17.9901 -17.9901 -1.7633 -1.7633 -1.5191 -1.5191 -1.4930 -1.4930 4.7128 4.7128 4.7536 4.7536 5.8298 5.8298 6.0452 6.0452 6.1027 6.1027 6.2150 6.2150 6.3732 6.3732 6.5971 6.5971 6.6987 6.6987 6.7514 6.7514 6.8414 6.8414 7.2538 7.2538 7.3751 7.3751 7.5174 7.5174 7.8160 7.8160 8.1758 8.1758 8.1819 8.1819 8.4367 8.4367 8.7475 8.7475 8.8894 8.8894 8.9716 8.9716 9.1688 9.1688 9.3174 9.3174 9.4488 9.4488 9.7196 9.7196 9.7332 9.7332 9.9708 9.9708 10.8875 10.8875 13.0648 13.0648 13.2661 13.2661 15.2626 15.2626 16.1552 16.1552 16.1738 16.1738 17.5815 17.5815 k = 0.3333 0.5774 0.3333 ( 3876 PWs) bands (ev): -17.9900 -17.9900 -1.7636 -1.7636 -1.5182 -1.5182 -1.4951 -1.4951 4.7390 4.7390 4.7797 4.7797 5.8219 5.8219 6.0575 6.0575 6.1117 6.1117 6.2112 6.2112 6.3716 6.3716 6.6119 6.6119 6.6932 6.6932 6.7381 6.7381 6.8468 6.8468 7.2560 7.2560 7.3751 7.3751 7.5282 7.5282 7.8168 7.8168 8.1565 8.1565 8.1785 8.1785 8.4402 8.4402 8.7535 8.7535 8.8882 8.8882 8.9660 8.9660 9.1503 9.1503 9.3192 9.3192 9.4834 9.4834 9.7091 9.7091 9.7338 9.7338 9.9230 9.9230 10.9828 10.9828 12.8944 12.8944 13.1030 13.1030 15.1598 15.1598 16.2382 16.2382 16.2504 16.2504 17.5912 17.5912 k = 0.3333 0.5774 0.3509 ( 3864 PWs) bands (ev): -17.9899 -17.9899 -1.7638 -1.7638 -1.5172 -1.5172 -1.4971 -1.4971 4.7670 4.7670 4.8077 4.8077 5.8147 5.8147 6.0689 6.0689 6.1189 6.1189 6.2078 6.2078 6.3648 6.3648 6.6131 6.6131 6.6823 6.6823 6.7326 6.7326 6.8488 6.8488 7.2686 7.2686 7.3808 7.3808 7.5432 7.5432 7.8199 7.8199 8.1403 8.1403 8.1755 8.1755 8.4440 8.4440 8.7593 8.7593 8.8878 8.8878 8.9610 8.9610 9.1313 9.1313 9.3209 9.3209 9.5168 9.5168 9.6830 9.6830 9.7477 9.7477 9.8764 9.8764 11.0816 11.0816 12.7267 12.7267 12.9426 12.9426 15.0508 15.0508 16.3232 16.3232 16.3288 16.3288 17.6071 17.6071 k = 0.3333 0.5774 0.3684 ( 3873 PWs) bands (ev): -17.9898 -17.9898 -1.7641 -1.7641 -1.5163 -1.5163 -1.4991 -1.4991 4.7968 4.7968 4.8375 4.8375 5.8082 5.8082 6.0776 6.0776 6.1233 6.1233 6.2045 6.2045 6.3547 6.3547 6.6004 6.6004 6.6667 6.6667 6.7360 6.7360 6.8480 6.8480 7.2907 7.2907 7.3914 7.3914 7.5613 7.5613 7.8254 7.8254 8.1275 8.1275 8.1731 8.1731 8.4480 8.4480 8.7646 8.7646 8.8887 8.8887 8.9572 8.9572 9.1119 9.1119 9.3226 9.3226 9.5452 9.5452 9.6579 9.6579 9.7611 9.7611 9.8323 9.8323 11.1836 11.1836 12.5621 12.5621 12.7852 12.7852 14.9366 14.9366 16.4087 16.4087 16.4099 16.4099 17.6284 17.6284 k = 0.3333 0.5774 0.3860 ( 3873 PWs) bands (ev): -17.9897 -17.9897 -1.7643 -1.7643 -1.5154 -1.5154 -1.5010 -1.5010 4.8284 4.8284 4.8692 4.8692 5.8026 5.8026 6.0815 6.0815 6.1237 6.1237 6.2017 6.2017 6.3437 6.3437 6.5795 6.5795 6.6473 6.6473 6.7445 6.7445 6.8448 6.8448 7.3208 7.3208 7.4057 7.4057 7.5814 7.5814 7.8333 7.8333 8.1186 8.1186 8.1713 8.1713 8.4525 8.4525 8.7688 8.7688 8.8913 8.8913 8.9549 8.9549 9.0925 9.0925 9.3243 9.3243 9.5555 9.5555 9.6452 9.6452 9.7741 9.7741 9.7930 9.7930 11.2883 11.2883 12.4011 12.4011 12.6313 12.6313 14.8179 14.8179 16.4898 16.4898 16.4980 16.4980 17.6542 17.6542 k = 0.3333 0.5774 0.4035 ( 3867 PWs) bands (ev): -17.9895 -17.9895 -1.7646 -1.7646 -1.5145 -1.5145 -1.5028 -1.5028 4.8618 4.8618 4.9026 4.9026 5.7978 5.7978 6.0776 6.0776 6.1190 6.1190 6.1998 6.1998 6.3349 6.3349 6.5562 6.5562 6.6252 6.6252 6.7544 6.7544 6.8397 6.8397 7.3571 7.3571 7.4222 7.4222 7.6024 7.6024 7.8439 7.8439 8.1138 8.1138 8.1701 8.1701 8.4574 8.4574 8.7715 8.7715 8.8961 8.8961 8.9545 8.9545 9.0732 9.0732 9.3259 9.3259 9.5350 9.5350 9.6527 9.6527 9.7639 9.7639 9.7865 9.7865 11.3953 11.3953 12.2441 12.2441 12.4814 12.4814 14.6955 14.6955 16.5717 16.5717 16.5873 16.5873 17.6837 17.6837 k = 0.3333 0.5774 0.4211 ( 3867 PWs) bands (ev): -17.9894 -17.9894 -1.7649 -1.7649 -1.5136 -1.5136 -1.5045 -1.5045 4.8969 4.8969 4.9377 4.9377 5.7939 5.7939 6.0638 6.0638 6.1078 6.1078 6.1990 6.1990 6.3308 6.3308 6.5344 6.5344 6.6014 6.6014 6.7637 6.7637 6.8331 6.8331 7.3978 7.3978 7.4394 7.4394 7.6235 7.6235 7.8571 7.8571 8.1131 8.1131 8.1696 8.1696 8.4629 8.4629 8.7727 8.7727 8.9032 8.9032 8.9564 8.9564 9.0542 9.0542 9.3276 9.3276 9.4966 9.4966 9.6542 9.6542 9.7588 9.7588 9.7983 9.7983 11.5041 11.5041 12.0917 12.0917 12.3363 12.3363 14.5701 14.5701 16.6540 16.6540 16.6774 16.6774 17.7160 17.7160 k = 0.3333 0.5774 0.4386 ( 3870 PWs) bands (ev): -17.9893 -17.9893 -1.7652 -1.7652 -1.5128 -1.5128 -1.5062 -1.5062 4.9338 4.9338 4.9745 4.9745 5.7907 5.7907 6.0395 6.0395 6.0891 6.0891 6.1993 6.1993 6.3329 6.3329 6.5164 6.5164 6.5768 6.5768 6.7720 6.7720 6.8250 6.8250 7.4410 7.4410 7.4560 7.4560 7.6439 7.6439 7.8730 7.8730 8.1165 8.1165 8.1697 8.1697 8.4691 8.4691 8.7722 8.7722 8.9127 8.9127 8.9609 8.9609 9.0358 9.0358 9.3293 9.3293 9.4510 9.4510 9.6346 9.6346 9.7827 9.7827 9.8093 9.8093 11.6134 11.6134 11.9445 11.9445 12.1973 12.1973 14.4423 14.4423 16.7364 16.7364 16.7681 16.7681 17.7503 17.7503 k = 0.3333 0.5774 0.4562 ( 3873 PWs) bands (ev): -17.9892 -17.9892 -1.7655 -1.7655 -1.5120 -1.5120 -1.5077 -1.5077 4.9723 4.9723 5.0129 5.0129 5.7882 5.7882 6.0065 6.0065 6.0630 6.0630 6.2001 6.2001 6.3408 6.3408 6.5035 6.5035 6.5522 6.5522 6.7789 6.7789 6.8156 6.8156 7.4710 7.4710 7.4852 7.4852 7.6632 7.6632 7.8913 7.8913 8.1237 8.1237 8.1704 8.1704 8.4761 8.4761 8.7703 8.7703 8.9242 8.9242 8.9684 8.9684 9.0183 9.0183 9.3312 9.3312 9.4019 9.4019 9.6056 9.6056 9.8197 9.8197 9.8209 9.8209 11.7195 11.7195 11.8031 11.8031 12.0686 12.0686 14.3125 14.3125 16.8186 16.8186 16.8593 16.8593 17.7856 17.7856 k = 0.3333 0.5774 0.4737 ( 3873 PWs) bands (ev): -17.9892 -17.9892 -1.7658 -1.7658 -1.5113 -1.5113 -1.5090 -1.5090 5.0124 5.0124 5.0527 5.0527 5.7860 5.7860 5.9671 5.9671 6.0298 6.0298 6.2010 6.2010 6.3530 6.3530 6.4957 6.4957 6.5284 6.5284 6.7847 6.7847 6.8049 6.8049 7.4836 7.4836 7.5288 7.5288 7.6813 7.6813 7.9117 7.9117 8.1339 8.1339 8.1715 8.1715 8.4838 8.4838 8.7675 8.7675 8.9371 8.9371 8.9791 8.9791 9.0018 9.0018 9.3333 9.3333 9.3515 9.3515 9.5742 9.5742 9.8292 9.8292 9.8649 9.8649 11.6683 11.6683 11.7983 11.7983 11.9747 11.9747 14.1814 14.1814 16.9001 16.9001 16.9507 16.9507 17.8210 17.8210 k = 0.3333 0.5774 0.4913 ( 3873 PWs) bands (ev): -17.9891 -17.9891 -1.7661 -1.7661 -1.5107 -1.5107 -1.5103 -1.5103 5.0539 5.0539 5.0937 5.0937 5.7838 5.7838 5.9236 5.9236 5.9909 5.9909 6.2018 6.2018 6.3681 6.3681 6.4921 6.4921 6.5062 6.5062 6.7894 6.7894 6.7931 6.7931 7.4936 7.4936 7.5702 7.5702 7.6984 7.6984 7.9337 7.9337 8.1463 8.1463 8.1731 8.1731 8.4920 8.4920 8.7643 8.7643 8.9504 8.9504 8.9871 8.9871 8.9928 8.9928 9.3011 9.3011 9.3357 9.3357 9.5425 9.5425 9.8379 9.8379 9.9120 9.9120 11.5412 11.5412 11.7571 11.7571 12.0087 12.0087 14.0492 14.0492 16.9804 16.9804 17.0421 17.0421 17.8556 17.8556 k = 0.3333 0.5774 0.5088 ( 3867 PWs) bands (ev): -17.9890 -17.9890 -1.7663 -1.7663 -1.5114 -1.5114 -1.5101 -1.5101 5.0967 5.0967 5.1357 5.1357 5.7803 5.7803 5.8788 5.8788 5.9478 5.9478 6.2025 6.2025 6.3844 6.3844 6.4863 6.4863 6.4919 6.4919 6.7803 6.7803 6.7931 6.7931 7.5011 7.5011 7.6075 7.6075 7.7153 7.7153 7.9566 7.9566 8.1598 8.1598 8.1751 8.1751 8.5003 8.5003 8.7616 8.7616 8.9601 8.9601 8.9773 8.9773 9.0092 9.0092 9.2523 9.2523 9.3384 9.3384 9.5113 9.5113 9.8457 9.8457 9.9607 9.9607 11.4227 11.4227 11.6538 11.6538 12.1136 12.1136 13.9163 13.9163 17.0589 17.0589 17.1335 17.1335 17.8883 17.8883 k = 0.3333 0.5774 0.5263 ( 3864 PWs) bands (ev): -17.9889 -17.9889 -1.7665 -1.7665 -1.5124 -1.5124 -1.5096 -1.5096 5.1404 5.1404 5.1783 5.1783 5.7717 5.7717 5.8379 5.8379 5.9022 5.9022 6.2031 6.2031 6.3997 6.3997 6.4703 6.4703 6.4938 6.4938 6.7668 6.7668 6.7961 6.7961 7.5063 7.5063 7.6389 7.6389 7.7327 7.7327 7.9796 7.9796 8.1734 8.1734 8.1773 8.1773 8.5083 8.5083 8.7604 8.7604 8.9551 8.9551 8.9822 8.9822 9.0276 9.0276 9.2070 9.2070 9.3414 9.3414 9.4812 9.4812 9.8526 9.8526 10.0099 10.0099 11.3144 11.3144 11.5481 11.5481 12.2307 12.2307 13.7831 13.7831 17.1347 17.1347 17.2245 17.2245 17.9179 17.9179 k = 0.3333 0.5774 0.5439 ( 3858 PWs) bands (ev): -17.9888 -17.9888 -1.7667 -1.7667 -1.5132 -1.5132 -1.5091 -1.5091 5.1848 5.1848 5.2208 5.2208 5.7474 5.7474 5.8122 5.8122 5.8556 5.8556 6.2036 6.2036 6.4102 6.4102 6.4616 6.4616 6.4968 6.4968 6.7530 6.7530 6.7984 6.7984 7.5098 7.5098 7.6632 7.6632 7.7510 7.7510 8.0019 8.0019 8.1796 8.1796 8.1861 8.1861 8.5152 8.5152 8.7617 8.7617 8.9452 8.9452 8.9896 8.9896 9.0469 9.0469 9.1680 9.1680 9.3449 9.3449 9.4526 9.4526 9.8585 9.8585 10.0585 10.0585 11.2178 11.2178 11.4492 11.4492 12.3521 12.3521 13.6498 13.6498 17.2067 17.2067 17.3151 17.3151 17.9431 17.9431 k = 0.3333 0.5774 0.5614 ( 3864 PWs) bands (ev): -17.9888 -17.9888 -1.7669 -1.7669 -1.5139 -1.5139 -1.5088 -1.5088 5.2291 5.2291 5.2623 5.2623 5.7071 5.7071 5.8032 5.8032 5.8099 5.8099 6.2041 6.2041 6.4112 6.4112 6.4641 6.4641 6.5003 6.5003 6.7395 6.7395 6.8002 6.8002 7.5118 7.5118 7.6804 7.6804 7.7694 7.7694 8.0225 8.0225 8.1821 8.1821 8.1973 8.1973 8.5202 8.5202 8.7667 8.7667 8.9356 8.9356 8.9901 8.9901 9.0657 9.0657 9.1397 9.1397 9.3486 9.3486 9.4264 9.4264 9.8634 9.8634 10.1045 10.1045 11.1347 11.1347 11.3609 11.3609 12.4760 12.4760 13.5166 13.5166 17.2732 17.2732 17.4049 17.4049 17.9624 17.9624 k = 0.3333 0.5774 0.5790 ( 3870 PWs) bands (ev): -17.9888 -17.9888 -1.7671 -1.7671 -1.5144 -1.5144 -1.5085 -1.5085 5.2721 5.2721 5.3011 5.3011 5.6629 5.6629 5.7672 5.7672 5.8004 5.8004 6.2044 6.2044 6.4060 6.4060 6.4738 6.4738 6.5036 6.5036 6.7272 6.7272 6.8014 6.8014 7.5130 7.5130 7.6919 7.6919 7.7860 7.7860 8.0403 8.0403 8.1844 8.1844 8.2064 8.2064 8.5232 8.5232 8.7757 8.7757 8.9266 8.9266 8.9806 8.9806 9.0824 9.0824 9.1252 9.1252 9.3523 9.3523 9.4035 9.4035 9.8673 9.8673 10.1457 10.1457 11.0671 11.0671 11.2862 11.2862 12.6017 12.6017 13.3838 13.3838 17.3318 17.3318 17.4937 17.4937 17.9741 17.9741 k = 0.3333 0.5774 0.5965 ( 3873 PWs) bands (ev): -17.9888 -17.9888 -1.7672 -1.7672 -1.5148 -1.5148 -1.5083 -1.5083 5.3113 5.3113 5.3346 5.3346 5.6217 5.6217 5.7308 5.7308 5.7995 5.7995 6.2047 6.2047 6.4001 6.4001 6.4842 6.4842 6.5063 6.5063 6.7169 6.7169 6.8023 6.8023 7.5135 7.5135 7.6992 7.6992 7.7989 7.7989 8.0542 8.0542 8.1865 8.1865 8.2131 8.2131 8.5244 8.5244 8.7878 8.7878 8.9171 8.9171 8.9655 8.9655 9.0956 9.0956 9.1218 9.1218 9.3556 9.3556 9.3853 9.3853 9.8701 9.8701 10.1790 10.1790 11.0170 11.0170 11.2288 11.2288 12.7288 12.7288 13.2517 13.2517 17.3790 17.3790 17.5806 17.5806 17.9444 17.9444 k = 0.3333 0.5774 0.6141 ( 3864 PWs) bands (ev): -17.9887 -17.9887 -1.7672 -1.7672 -1.5150 -1.5150 -1.5082 -1.5082 5.3413 5.3413 5.3583 5.3583 5.5901 5.5901 5.7052 5.7052 5.7992 5.7992 6.2049 6.2049 6.3961 6.3961 6.4917 6.4917 6.5080 6.5080 6.7101 6.7101 6.8028 6.8028 7.5137 7.5137 7.7032 7.7032 7.8071 7.8071 8.0630 8.0630 8.1879 8.1879 8.2171 8.2171 8.5246 8.5246 8.7998 8.7998 8.9073 8.9073 8.9535 8.9535 9.1040 9.1040 9.1231 9.1231 9.3579 9.3579 9.3734 9.3734 9.8718 9.8718 10.2009 10.2009 10.9861 10.9861 11.1923 11.1923 12.8566 12.8566 13.1209 13.1209 17.4102 17.4102 17.6624 17.6624 17.8655 17.8655 k = 0.3333 0.5774 0.6316 ( 3864 PWs) bands (ev): -17.9887 -17.9887 -1.7673 -1.7673 -1.5151 -1.5151 -1.5081 -1.5081 5.3533 5.3533 5.3670 5.3670 5.5776 5.5776 5.6958 5.6958 5.7992 5.7992 6.2049 6.2049 6.3947 6.3947 6.4943 6.4943 6.5086 6.5086 6.7076 6.7076 6.8029 6.8029 7.5137 7.5137 7.7045 7.7045 7.8098 7.8098 8.0660 8.0660 8.1885 8.1885 8.2185 8.2185 8.5245 8.5245 8.8054 8.8054 8.9023 8.9023 8.9494 8.9494 9.1068 9.1068 9.1241 9.1241 9.3588 9.3588 9.3692 9.3692 9.8723 9.8723 10.2086 10.2086 10.9757 10.9757 11.1797 11.1797 12.9668 12.9668 13.0097 13.0097 17.4213 17.4213 17.7124 17.7124 17.8164 17.8164 Writing output data file KAu5.save init_run : 0.44s CPU 0.59s WALL ( 1 calls) electrons : 342.58s CPU 347.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 342.58s CPU 347.56s 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 : 0.12s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.06s WALL ( 295 calls) cegterg : 320.71s CPU 324.95s WALL ( 680 calls) Called by sum_band: Called by *egterg: h_psi : 135.56s CPU 138.35s WALL ( 11050 calls) s_psi : 15.09s CPU 15.11s WALL ( 11050 calls) g_psi : 0.45s CPU 0.42s WALL ( 10075 calls) cdiaghg : 145.90s CPU 147.52s WALL ( 10370 calls) cegterg:over : 14.33s CPU 14.64s WALL ( 10075 calls) cegterg:upda : 11.93s CPU 12.12s WALL ( 10075 calls) cegterg:last : 6.01s CPU 6.01s WALL ( 1619 calls) cdiaghg:chol : 8.78s CPU 8.63s WALL ( 10370 calls) cdiaghg:inve : 6.18s CPU 6.29s WALL ( 10370 calls) cdiaghg:para : 10.86s CPU 11.06s WALL ( 20740 calls) Called by h_psi: h_psi:vloc : 103.49s CPU 105.69s WALL ( 11050 calls) h_psi:vnl : 31.58s CPU 32.16s WALL ( 11050 calls) add_vuspsi : 17.94s CPU 18.03s WALL ( 11050 calls) General routines calbec : 13.62s CPU 14.10s WALL ( 11050 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.19s CPU 94.44s WALL ( 1529024 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.30s WALL ( 590 calls) Parallel routines fft_scatter : 37.33s CPU 38.15s WALL ( 1529047 calls) PWSCF : 6m 2.41s CPU 6m18.35s WALL This run was terminated on: 13:35:13 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=