Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:29:57 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: ./RbAu5.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 96 38 11 3530 876 139 Max 97 39 12 3535 894 142 Sum 3463 1369 397 127117 31775 5023 bravais-lattice index = 14 lattice parameter (alat) = 10.8886 a.u. unit-cell volume = 861.8907 (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)= 10.888601 celldm(2)= 1.000000 celldm(3)= 0.770913 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 0.770913 ) 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 1.297163 ) PseudoPot. # 1 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 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 1219 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 Rb 9.00 85.46780 Rb( 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= 293 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0156250 0.0090211 -0.0000000), wk = 0.0034130 k( 3) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0034130 k( 4) = ( 0.0468750 0.0270633 -0.0000000), wk = 0.0034130 k( 5) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0034130 k( 6) = ( 0.0781250 0.0451055 -0.0000000), wk = 0.0034130 k( 7) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0034130 k( 8) = ( 0.1093750 0.0631477 -0.0000000), wk = 0.0034130 k( 9) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0034130 k( 10) = ( 0.1406250 0.0811899 -0.0000000), wk = 0.0034130 k( 11) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0034130 k( 12) = ( 0.1718750 0.0992321 -0.0000000), wk = 0.0034130 k( 13) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0034130 k( 14) = ( 0.2031250 0.1172743 -0.0000000), wk = 0.0034130 k( 15) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0034130 k( 16) = ( 0.2343750 0.1353165 -0.0000000), wk = 0.0034130 k( 17) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034130 k( 18) = ( 0.2656250 0.1533587 -0.0000000), wk = 0.0034130 k( 19) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0034130 k( 20) = ( 0.2968750 0.1714009 -0.0000000), wk = 0.0034130 k( 21) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0034130 k( 22) = ( 0.3281250 0.1894431 -0.0000000), wk = 0.0034130 k( 23) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0034130 k( 24) = ( 0.3593750 0.2074853 -0.0000000), wk = 0.0034130 k( 25) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0034130 k( 26) = ( 0.3906250 0.2255274 -0.0000000), wk = 0.0034130 k( 27) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0034130 k( 28) = ( 0.4218750 0.2435696 -0.0000000), wk = 0.0034130 k( 29) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0034130 k( 30) = ( 0.4531250 0.2616118 -0.0000000), wk = 0.0034130 k( 31) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0034130 k( 32) = ( 0.4843750 0.2796540 -0.0000000), wk = 0.0034130 k( 33) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 34) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 35) = ( 0.4912281 0.3038686 -0.0000000), wk = 0.0034130 k( 36) = ( 0.4824561 0.3190620 -0.0000000), wk = 0.0034130 k( 37) = ( 0.4736842 0.3342554 -0.0000000), wk = 0.0034130 k( 38) = ( 0.4649123 0.3494488 -0.0000000), wk = 0.0034130 k( 39) = ( 0.4561404 0.3646423 -0.0000000), wk = 0.0034130 k( 40) = ( 0.4473684 0.3798357 -0.0000000), wk = 0.0034130 k( 41) = ( 0.4385965 0.3950291 -0.0000000), wk = 0.0034130 k( 42) = ( 0.4298246 0.4102226 -0.0000000), wk = 0.0034130 k( 43) = ( 0.4210526 0.4254160 -0.0000000), wk = 0.0034130 k( 44) = ( 0.4122807 0.4406094 -0.0000000), wk = 0.0034130 k( 45) = ( 0.4035088 0.4558028 -0.0000000), wk = 0.0034130 k( 46) = ( 0.3947368 0.4709963 -0.0000000), wk = 0.0034130 k( 47) = ( 0.3859649 0.4861897 -0.0000000), wk = 0.0034130 k( 48) = ( 0.3771930 0.5013831 -0.0000000), wk = 0.0034130 k( 49) = ( 0.3684211 0.5165765 -0.0000000), wk = 0.0034130 k( 50) = ( 0.3596491 0.5317700 -0.0000000), wk = 0.0034130 k( 51) = ( 0.3508772 0.5469634 -0.0000000), wk = 0.0034130 k( 52) = ( 0.3421053 0.5621568 -0.0000000), wk = 0.0034130 k( 53) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 54) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 55) = ( 0.3243243 0.5617462 -0.0000000), wk = 0.0034130 k( 56) = ( 0.3153153 0.5461422 -0.0000000), wk = 0.0034130 k( 57) = ( 0.3063063 0.5305381 -0.0000000), wk = 0.0034130 k( 58) = ( 0.2972973 0.5149340 -0.0000000), wk = 0.0034130 k( 59) = ( 0.2882883 0.4993300 -0.0000000), wk = 0.0034130 k( 60) = ( 0.2792793 0.4837259 -0.0000000), wk = 0.0034130 k( 61) = ( 0.2702703 0.4681218 -0.0000000), wk = 0.0034130 k( 62) = ( 0.2612613 0.4525178 -0.0000000), wk = 0.0034130 k( 63) = ( 0.2522523 0.4369137 -0.0000000), wk = 0.0034130 k( 64) = ( 0.2432432 0.4213097 -0.0000000), wk = 0.0034130 k( 65) = ( 0.2342342 0.4057056 -0.0000000), wk = 0.0034130 k( 66) = ( 0.2252252 0.3901015 -0.0000000), wk = 0.0034130 k( 67) = ( 0.2162162 0.3744975 -0.0000000), wk = 0.0034130 k( 68) = ( 0.2072072 0.3588934 -0.0000000), wk = 0.0034130 k( 69) = ( 0.1981982 0.3432894 -0.0000000), wk = 0.0034130 k( 70) = ( 0.1891892 0.3276853 -0.0000000), wk = 0.0034130 k( 71) = ( 0.1801802 0.3120812 -0.0000000), wk = 0.0034130 k( 72) = ( 0.1711712 0.2964772 -0.0000000), wk = 0.0034130 k( 73) = ( 0.1621622 0.2808731 -0.0000000), wk = 0.0034130 k( 74) = ( 0.1531531 0.2652690 -0.0000000), wk = 0.0034130 k( 75) = ( 0.1441441 0.2496650 -0.0000000), wk = 0.0034130 k( 76) = ( 0.1351351 0.2340609 -0.0000000), wk = 0.0034130 k( 77) = ( 0.1261261 0.2184569 -0.0000000), wk = 0.0034130 k( 78) = ( 0.1171171 0.2028528 -0.0000000), wk = 0.0034130 k( 79) = ( 0.1081081 0.1872487 -0.0000000), wk = 0.0034130 k( 80) = ( 0.0990991 0.1716447 -0.0000000), wk = 0.0034130 k( 81) = ( 0.0900901 0.1560406 -0.0000000), wk = 0.0034130 k( 82) = ( 0.0810811 0.1404366 -0.0000000), wk = 0.0034130 k( 83) = ( 0.0720721 0.1248325 -0.0000000), wk = 0.0034130 k( 84) = ( 0.0630631 0.1092284 -0.0000000), wk = 0.0034130 k( 85) = ( 0.0540540 0.0936244 -0.0000000), wk = 0.0034130 k( 86) = ( 0.0450451 0.0780203 -0.0000000), wk = 0.0034130 k( 87) = ( 0.0360360 0.0624163 -0.0000000), wk = 0.0034130 k( 88) = ( 0.0270270 0.0468122 -0.0000000), wk = 0.0034130 k( 89) = ( 0.0180180 0.0312081 -0.0000000), wk = 0.0034130 k( 90) = ( 0.0090090 0.0156041 -0.0000000), wk = 0.0034130 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 93) = ( 0.0000000 0.0000000 0.0180162), wk = 0.0034130 k( 94) = ( 0.0000000 0.0000000 0.0360323), wk = 0.0034130 k( 95) = ( 0.0000000 0.0000000 0.0540485), wk = 0.0034130 k( 96) = ( 0.0000000 0.0000000 0.0720646), wk = 0.0034130 k( 97) = ( 0.0000000 0.0000000 0.0900808), wk = 0.0034130 k( 98) = ( 0.0000000 0.0000000 0.1080969), wk = 0.0034130 k( 99) = ( 0.0000000 0.0000000 0.1261131), wk = 0.0034130 k( 100) = ( 0.0000000 0.0000000 0.1441293), wk = 0.0034130 k( 101) = ( 0.0000000 0.0000000 0.1621454), wk = 0.0034130 k( 102) = ( 0.0000000 0.0000000 0.1801616), wk = 0.0034130 k( 103) = ( 0.0000000 0.0000000 0.1981778), wk = 0.0034130 k( 104) = ( 0.0000000 0.0000000 0.2161939), wk = 0.0034130 k( 105) = ( 0.0000000 0.0000000 0.2342101), wk = 0.0034130 k( 106) = ( 0.0000000 0.0000000 0.2522262), wk = 0.0034130 k( 107) = ( 0.0000000 0.0000000 0.2702424), wk = 0.0034130 k( 108) = ( 0.0000000 0.0000000 0.2882585), wk = 0.0034130 k( 109) = ( 0.0000000 0.0000000 0.3062747), wk = 0.0034130 k( 110) = ( 0.0000000 0.0000000 0.3242909), wk = 0.0034130 k( 111) = ( 0.0000000 0.0000000 0.3423070), wk = 0.0034130 k( 112) = ( 0.0000000 0.0000000 0.3603232), wk = 0.0034130 k( 113) = ( 0.0000000 0.0000000 0.3783393), wk = 0.0034130 k( 114) = ( 0.0000000 0.0000000 0.3963555), wk = 0.0034130 k( 115) = ( 0.0000000 0.0000000 0.4143716), wk = 0.0034130 k( 116) = ( 0.0000000 0.0000000 0.4323878), wk = 0.0034130 k( 117) = ( 0.0000000 0.0000000 0.4504040), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.4684201), wk = 0.0034130 k( 119) = ( 0.0000000 0.0000000 0.4864363), wk = 0.0034130 k( 120) = ( 0.0000000 0.0000000 0.5044525), wk = 0.0034130 k( 121) = ( 0.0000000 0.0000000 0.5224686), wk = 0.0034130 k( 122) = ( 0.0000000 0.0000000 0.5404848), wk = 0.0034130 k( 123) = ( 0.0000000 0.0000000 0.5585009), wk = 0.0034130 k( 124) = ( 0.0000000 0.0000000 0.5765171), wk = 0.0034130 k( 125) = ( 0.0000000 0.0000000 0.5945332), wk = 0.0034130 k( 126) = ( 0.0000000 0.0000000 0.6125494), wk = 0.0034130 k( 127) = ( 0.0000000 0.0000000 0.6305656), wk = 0.0034130 k( 128) = ( 0.0000000 0.0000000 0.6485817), wk = 0.0034130 k( 129) = ( 0.0000000 0.0000000 0.6485817), wk = 0.0034130 k( 130) = ( 0.0156250 0.0090211 0.6485817), wk = 0.0034130 k( 131) = ( 0.0312500 0.0180422 0.6485817), wk = 0.0034130 k( 132) = ( 0.0468750 0.0270633 0.6485817), wk = 0.0034130 k( 133) = ( 0.0625000 0.0360844 0.6485817), wk = 0.0034130 k( 134) = ( 0.0781250 0.0451055 0.6485817), wk = 0.0034130 k( 135) = ( 0.0937500 0.0541266 0.6485817), wk = 0.0034130 k( 136) = ( 0.1093750 0.0631477 0.6485817), wk = 0.0034130 k( 137) = ( 0.1250000 0.0721688 0.6485817), wk = 0.0034130 k( 138) = ( 0.1406250 0.0811899 0.6485817), wk = 0.0034130 k( 139) = ( 0.1562500 0.0902110 0.6485817), wk = 0.0034130 k( 140) = ( 0.1718750 0.0992321 0.6485817), wk = 0.0034130 k( 141) = ( 0.1875000 0.1082532 0.6485817), wk = 0.0034130 k( 142) = ( 0.2031250 0.1172743 0.6485817), wk = 0.0034130 k( 143) = ( 0.2187500 0.1262954 0.6485817), wk = 0.0034130 k( 144) = ( 0.2343750 0.1353165 0.6485817), wk = 0.0034130 k( 145) = ( 0.2500000 0.1443376 0.6485817), wk = 0.0034130 k( 146) = ( 0.2656250 0.1533587 0.6485817), wk = 0.0034130 k( 147) = ( 0.2812500 0.1623798 0.6485817), wk = 0.0034130 k( 148) = ( 0.2968750 0.1714009 0.6485817), wk = 0.0034130 k( 149) = ( 0.3125000 0.1804220 0.6485817), wk = 0.0034130 k( 150) = ( 0.3281250 0.1894431 0.6485817), wk = 0.0034130 k( 151) = ( 0.3437500 0.1984642 0.6485817), wk = 0.0034130 k( 152) = ( 0.3593750 0.2074853 0.6485817), wk = 0.0034130 k( 153) = ( 0.3750000 0.2165064 0.6485817), wk = 0.0034130 k( 154) = ( 0.3906250 0.2255274 0.6485817), wk = 0.0034130 k( 155) = ( 0.4062500 0.2345485 0.6485817), wk = 0.0034130 k( 156) = ( 0.4218750 0.2435696 0.6485817), wk = 0.0034130 k( 157) = ( 0.4375000 0.2525907 0.6485817), wk = 0.0034130 k( 158) = ( 0.4531250 0.2616118 0.6485817), wk = 0.0034130 k( 159) = ( 0.4687500 0.2706329 0.6485817), wk = 0.0034130 k( 160) = ( 0.4843750 0.2796540 0.6485817), wk = 0.0034130 k( 161) = ( 0.5000000 0.2886751 0.6485817), wk = 0.0034130 k( 162) = ( 0.5000000 0.2886751 0.6485817), wk = 0.0034130 k( 163) = ( 0.4912281 0.3038686 0.6485817), wk = 0.0034130 k( 164) = ( 0.4824561 0.3190620 0.6485817), wk = 0.0034130 k( 165) = ( 0.4736842 0.3342554 0.6485817), wk = 0.0034130 k( 166) = ( 0.4649123 0.3494488 0.6485817), wk = 0.0034130 k( 167) = ( 0.4561404 0.3646423 0.6485817), wk = 0.0034130 k( 168) = ( 0.4473684 0.3798357 0.6485817), wk = 0.0034130 k( 169) = ( 0.4385965 0.3950291 0.6485817), wk = 0.0034130 k( 170) = ( 0.4298246 0.4102226 0.6485817), wk = 0.0034130 k( 171) = ( 0.4210526 0.4254160 0.6485817), wk = 0.0034130 k( 172) = ( 0.4122807 0.4406094 0.6485817), wk = 0.0034130 k( 173) = ( 0.4035088 0.4558028 0.6485817), wk = 0.0034130 k( 174) = ( 0.3947368 0.4709963 0.6485817), wk = 0.0034130 k( 175) = ( 0.3859649 0.4861897 0.6485817), wk = 0.0034130 k( 176) = ( 0.3771930 0.5013831 0.6485817), wk = 0.0034130 k( 177) = ( 0.3684211 0.5165765 0.6485817), wk = 0.0034130 k( 178) = ( 0.3596491 0.5317700 0.6485817), wk = 0.0034130 k( 179) = ( 0.3508772 0.5469634 0.6485817), wk = 0.0034130 k( 180) = ( 0.3421053 0.5621568 0.6485817), wk = 0.0034130 k( 181) = ( 0.3333333 0.5773503 0.6485817), wk = 0.0034130 k( 182) = ( 0.3333333 0.5773503 0.6485817), wk = 0.0034130 k( 183) = ( 0.3243243 0.5617462 0.6485817), wk = 0.0034130 k( 184) = ( 0.3153153 0.5461422 0.6485817), wk = 0.0034130 k( 185) = ( 0.3063063 0.5305381 0.6485817), wk = 0.0034130 k( 186) = ( 0.2972973 0.5149340 0.6485817), wk = 0.0034130 k( 187) = ( 0.2882883 0.4993300 0.6485817), wk = 0.0034130 k( 188) = ( 0.2792793 0.4837259 0.6485817), wk = 0.0034130 k( 189) = ( 0.2702703 0.4681218 0.6485817), wk = 0.0034130 k( 190) = ( 0.2612613 0.4525178 0.6485817), wk = 0.0034130 k( 191) = ( 0.2522523 0.4369137 0.6485817), wk = 0.0034130 k( 192) = ( 0.2432432 0.4213097 0.6485817), wk = 0.0034130 k( 193) = ( 0.2342342 0.4057056 0.6485817), wk = 0.0034130 k( 194) = ( 0.2252252 0.3901015 0.6485817), wk = 0.0034130 k( 195) = ( 0.2162162 0.3744975 0.6485817), wk = 0.0034130 k( 196) = ( 0.2072072 0.3588934 0.6485817), wk = 0.0034130 k( 197) = ( 0.1981982 0.3432894 0.6485817), wk = 0.0034130 k( 198) = ( 0.1891892 0.3276853 0.6485817), wk = 0.0034130 k( 199) = ( 0.1801802 0.3120812 0.6485817), wk = 0.0034130 k( 200) = ( 0.1711712 0.2964772 0.6485817), wk = 0.0034130 k( 201) = ( 0.1621622 0.2808731 0.6485817), wk = 0.0034130 k( 202) = ( 0.1531531 0.2652690 0.6485817), wk = 0.0034130 k( 203) = ( 0.1441441 0.2496650 0.6485817), wk = 0.0034130 k( 204) = ( 0.1351351 0.2340609 0.6485817), wk = 0.0034130 k( 205) = ( 0.1261261 0.2184569 0.6485817), wk = 0.0034130 k( 206) = ( 0.1171171 0.2028528 0.6485817), wk = 0.0034130 k( 207) = ( 0.1081081 0.1872487 0.6485817), wk = 0.0034130 k( 208) = ( 0.0990991 0.1716447 0.6485817), wk = 0.0034130 k( 209) = ( 0.0900901 0.1560406 0.6485817), wk = 0.0034130 k( 210) = ( 0.0810811 0.1404366 0.6485817), wk = 0.0034130 k( 211) = ( 0.0720721 0.1248325 0.6485817), wk = 0.0034130 k( 212) = ( 0.0630631 0.1092284 0.6485817), wk = 0.0034130 k( 213) = ( 0.0540540 0.0936244 0.6485817), wk = 0.0034130 k( 214) = ( 0.0450451 0.0780203 0.6485817), wk = 0.0034130 k( 215) = ( 0.0360360 0.0624163 0.6485817), wk = 0.0034130 k( 216) = ( 0.0270270 0.0468122 0.6485817), wk = 0.0034130 k( 217) = ( 0.0180180 0.0312081 0.6485817), wk = 0.0034130 k( 218) = ( 0.0090090 0.0156041 0.6485817), wk = 0.0034130 k( 219) = ( 0.0000000 0.0000000 0.6485817), wk = 0.0034130 k( 220) = ( 0.5000000 0.2886751 0.6485817), wk = 0.0034130 k( 221) = ( 0.5000000 0.2886751 0.6305656), wk = 0.0034130 k( 222) = ( 0.5000000 0.2886751 0.6125494), wk = 0.0034130 k( 223) = ( 0.5000000 0.2886751 0.5945332), wk = 0.0034130 k( 224) = ( 0.5000000 0.2886751 0.5765171), wk = 0.0034130 k( 225) = ( 0.5000000 0.2886751 0.5585009), wk = 0.0034130 k( 226) = ( 0.5000000 0.2886751 0.5404848), wk = 0.0034130 k( 227) = ( 0.5000000 0.2886751 0.5224686), wk = 0.0034130 k( 228) = ( 0.5000000 0.2886751 0.5044525), wk = 0.0034130 k( 229) = ( 0.5000000 0.2886751 0.4864363), wk = 0.0034130 k( 230) = ( 0.5000000 0.2886751 0.4684201), wk = 0.0034130 k( 231) = ( 0.5000000 0.2886751 0.4504040), wk = 0.0034130 k( 232) = ( 0.5000000 0.2886751 0.4323878), wk = 0.0034130 k( 233) = ( 0.5000000 0.2886751 0.4143716), wk = 0.0034130 k( 234) = ( 0.5000000 0.2886751 0.3963555), wk = 0.0034130 k( 235) = ( 0.5000000 0.2886751 0.3783393), wk = 0.0034130 k( 236) = ( 0.5000000 0.2886751 0.3603232), wk = 0.0034130 k( 237) = ( 0.5000000 0.2886751 0.3423070), wk = 0.0034130 k( 238) = ( 0.5000000 0.2886751 0.3242909), wk = 0.0034130 k( 239) = ( 0.5000000 0.2886751 0.3062747), wk = 0.0034130 k( 240) = ( 0.5000000 0.2886751 0.2882585), wk = 0.0034130 k( 241) = ( 0.5000000 0.2886751 0.2702424), wk = 0.0034130 k( 242) = ( 0.5000000 0.2886751 0.2522262), wk = 0.0034130 k( 243) = ( 0.5000000 0.2886751 0.2342101), wk = 0.0034130 k( 244) = ( 0.5000000 0.2886751 0.2161939), wk = 0.0034130 k( 245) = ( 0.5000000 0.2886751 0.1981778), wk = 0.0034130 k( 246) = ( 0.5000000 0.2886751 0.1801616), wk = 0.0034130 k( 247) = ( 0.5000000 0.2886751 0.1621454), wk = 0.0034130 k( 248) = ( 0.5000000 0.2886751 0.1441293), wk = 0.0034130 k( 249) = ( 0.5000000 0.2886751 0.1261131), wk = 0.0034130 k( 250) = ( 0.5000000 0.2886751 0.1080969), wk = 0.0034130 k( 251) = ( 0.5000000 0.2886751 0.0900808), wk = 0.0034130 k( 252) = ( 0.5000000 0.2886751 0.0720646), wk = 0.0034130 k( 253) = ( 0.5000000 0.2886751 0.0540485), wk = 0.0034130 k( 254) = ( 0.5000000 0.2886751 0.0360323), wk = 0.0034130 k( 255) = ( 0.5000000 0.2886751 0.0180162), wk = 0.0034130 k( 256) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 257) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 258) = ( 0.3333333 0.5773503 0.0180162), wk = 0.0034130 k( 259) = ( 0.3333333 0.5773503 0.0360323), wk = 0.0034130 k( 260) = ( 0.3333333 0.5773503 0.0540485), wk = 0.0034130 k( 261) = ( 0.3333333 0.5773503 0.0720646), wk = 0.0034130 k( 262) = ( 0.3333333 0.5773503 0.0900808), wk = 0.0034130 k( 263) = ( 0.3333333 0.5773503 0.1080969), wk = 0.0034130 k( 264) = ( 0.3333333 0.5773503 0.1261131), wk = 0.0034130 k( 265) = ( 0.3333333 0.5773503 0.1441293), wk = 0.0034130 k( 266) = ( 0.3333333 0.5773503 0.1621454), wk = 0.0034130 k( 267) = ( 0.3333333 0.5773503 0.1801616), wk = 0.0034130 k( 268) = ( 0.3333333 0.5773503 0.1981778), wk = 0.0034130 k( 269) = ( 0.3333333 0.5773503 0.2161939), wk = 0.0034130 k( 270) = ( 0.3333333 0.5773503 0.2342101), wk = 0.0034130 k( 271) = ( 0.3333333 0.5773503 0.2522262), wk = 0.0034130 k( 272) = ( 0.3333333 0.5773503 0.2702424), wk = 0.0034130 k( 273) = ( 0.3333333 0.5773503 0.2882585), wk = 0.0034130 k( 274) = ( 0.3333333 0.5773503 0.3062747), wk = 0.0034130 k( 275) = ( 0.3333333 0.5773503 0.3242909), wk = 0.0034130 k( 276) = ( 0.3333333 0.5773503 0.3423070), wk = 0.0034130 k( 277) = ( 0.3333333 0.5773503 0.3603232), wk = 0.0034130 k( 278) = ( 0.3333333 0.5773503 0.3783393), wk = 0.0034130 k( 279) = ( 0.3333333 0.5773503 0.3963555), wk = 0.0034130 k( 280) = ( 0.3333333 0.5773503 0.4143716), wk = 0.0034130 k( 281) = ( 0.3333333 0.5773503 0.4323878), wk = 0.0034130 k( 282) = ( 0.3333333 0.5773503 0.4504040), wk = 0.0034130 k( 283) = ( 0.3333333 0.5773503 0.4684201), wk = 0.0034130 k( 284) = ( 0.3333333 0.5773503 0.4864363), wk = 0.0034130 k( 285) = ( 0.3333333 0.5773503 0.5044525), wk = 0.0034130 k( 286) = ( 0.3333333 0.5773503 0.5224686), wk = 0.0034130 k( 287) = ( 0.3333333 0.5773503 0.5404848), wk = 0.0034130 k( 288) = ( 0.3333333 0.5773503 0.5585009), wk = 0.0034130 k( 289) = ( 0.3333333 0.5773503 0.5765171), wk = 0.0034130 k( 290) = ( 0.3333333 0.5773503 0.5945332), wk = 0.0034130 k( 291) = ( 0.3333333 0.5773503 0.6125494), wk = 0.0034130 k( 292) = ( 0.3333333 0.5773503 0.6305656), wk = 0.0034130 k( 293) = ( 0.3333333 0.5773503 0.6485817), wk = 0.0034130 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0156250 0.0000000 -0.0000000), wk = 0.0034130 k( 3) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0034130 k( 4) = ( 0.0468750 0.0000000 -0.0000000), wk = 0.0034130 k( 5) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0034130 k( 6) = ( 0.0781250 0.0000000 -0.0000000), wk = 0.0034130 k( 7) = ( 0.0937500 0.0000000 -0.0000000), wk = 0.0034130 k( 8) = ( 0.1093750 0.0000000 -0.0000000), wk = 0.0034130 k( 9) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0034130 k( 10) = ( 0.1406250 -0.0000000 -0.0000000), wk = 0.0034130 k( 11) = ( 0.1562500 0.0000000 -0.0000000), wk = 0.0034130 k( 12) = ( 0.1718750 0.0000000 -0.0000000), wk = 0.0034130 k( 13) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0034130 k( 14) = ( 0.2031250 0.0000000 -0.0000000), wk = 0.0034130 k( 15) = ( 0.2187500 0.0000000 -0.0000000), wk = 0.0034130 k( 16) = ( 0.2343750 0.0000000 -0.0000000), wk = 0.0034130 k( 17) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0034130 k( 18) = ( 0.2656250 -0.0000000 -0.0000000), wk = 0.0034130 k( 19) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0034130 k( 20) = ( 0.2968750 -0.0000000 -0.0000000), wk = 0.0034130 k( 21) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0034130 k( 22) = ( 0.3281250 0.0000000 -0.0000000), wk = 0.0034130 k( 23) = ( 0.3437500 0.0000000 -0.0000000), wk = 0.0034130 k( 24) = ( 0.3593750 0.0000000 -0.0000000), wk = 0.0034130 k( 25) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0034130 k( 26) = ( 0.3906250 0.0000000 -0.0000000), wk = 0.0034130 k( 27) = ( 0.4062500 0.0000000 -0.0000000), wk = 0.0034130 k( 28) = ( 0.4218750 0.0000000 -0.0000000), wk = 0.0034130 k( 29) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0034130 k( 30) = ( 0.4531250 0.0000000 -0.0000000), wk = 0.0034130 k( 31) = ( 0.4687500 0.0000000 -0.0000000), wk = 0.0034130 k( 32) = ( 0.4843750 0.0000000 -0.0000000), wk = 0.0034130 k( 33) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034130 k( 34) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034130 k( 35) = ( 0.4912281 0.0175439 -0.0000000), wk = 0.0034130 k( 36) = ( 0.4824561 0.0350877 0.0000000), wk = 0.0034130 k( 37) = ( 0.4736842 0.0526316 -0.0000000), wk = 0.0034130 k( 38) = ( 0.4649123 0.0701754 -0.0000000), wk = 0.0034130 k( 39) = ( 0.4561404 0.0877193 0.0000000), wk = 0.0034130 k( 40) = ( 0.4473684 0.1052632 0.0000000), wk = 0.0034130 k( 41) = ( 0.4385965 0.1228070 -0.0000000), wk = 0.0034130 k( 42) = ( 0.4298246 0.1403509 -0.0000000), wk = 0.0034130 k( 43) = ( 0.4210526 0.1578947 -0.0000000), wk = 0.0034130 k( 44) = ( 0.4122807 0.1754386 -0.0000000), wk = 0.0034130 k( 45) = ( 0.4035088 0.1929825 0.0000000), wk = 0.0034130 k( 46) = ( 0.3947368 0.2105263 -0.0000000), wk = 0.0034130 k( 47) = ( 0.3859649 0.2280702 0.0000000), wk = 0.0034130 k( 48) = ( 0.3771930 0.2456140 -0.0000000), wk = 0.0034130 k( 49) = ( 0.3684211 0.2631579 0.0000000), wk = 0.0034130 k( 50) = ( 0.3596491 0.2807018 0.0000000), wk = 0.0034130 k( 51) = ( 0.3508772 0.2982456 0.0000000), wk = 0.0034130 k( 52) = ( 0.3421053 0.3157895 0.0000000), wk = 0.0034130 k( 53) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034130 k( 54) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034130 k( 55) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0034130 k( 56) = ( 0.3153153 0.3153153 0.0000000), wk = 0.0034130 k( 57) = ( 0.3063063 0.3063063 0.0000000), wk = 0.0034130 k( 58) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0034130 k( 59) = ( 0.2882883 0.2882883 -0.0000000), wk = 0.0034130 k( 60) = ( 0.2792793 0.2792793 -0.0000000), wk = 0.0034130 k( 61) = ( 0.2702703 0.2702703 -0.0000000), wk = 0.0034130 k( 62) = ( 0.2612613 0.2612613 -0.0000000), wk = 0.0034130 k( 63) = ( 0.2522523 0.2522523 -0.0000000), wk = 0.0034130 k( 64) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0034130 k( 65) = ( 0.2342342 0.2342342 0.0000000), wk = 0.0034130 k( 66) = ( 0.2252252 0.2252252 -0.0000000), wk = 0.0034130 k( 67) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0034130 k( 68) = ( 0.2072072 0.2072072 -0.0000000), wk = 0.0034130 k( 69) = ( 0.1981982 0.1981982 -0.0000000), wk = 0.0034130 k( 70) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0034130 k( 71) = ( 0.1801802 0.1801802 0.0000000), wk = 0.0034130 k( 72) = ( 0.1711712 0.1711712 0.0000000), wk = 0.0034130 k( 73) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0034130 k( 74) = ( 0.1531531 0.1531531 -0.0000000), wk = 0.0034130 k( 75) = ( 0.1441441 0.1441441 -0.0000000), wk = 0.0034130 k( 76) = ( 0.1351351 0.1351351 0.0000000), wk = 0.0034130 k( 77) = ( 0.1261261 0.1261261 -0.0000000), wk = 0.0034130 k( 78) = ( 0.1171171 0.1171171 -0.0000000), wk = 0.0034130 k( 79) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0034130 k( 80) = ( 0.0990991 0.0990991 -0.0000000), wk = 0.0034130 k( 81) = ( 0.0900901 0.0900901 0.0000000), wk = 0.0034130 k( 82) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0034130 k( 83) = ( 0.0720721 0.0720721 -0.0000000), wk = 0.0034130 k( 84) = ( 0.0630631 0.0630631 -0.0000000), wk = 0.0034130 k( 85) = ( 0.0540540 0.0540540 -0.0000000), wk = 0.0034130 k( 86) = ( 0.0450451 0.0450451 0.0000000), wk = 0.0034130 k( 87) = ( 0.0360360 0.0360360 -0.0000000), wk = 0.0034130 k( 88) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0034130 k( 89) = ( 0.0180180 0.0180180 -0.0000000), wk = 0.0034130 k( 90) = ( 0.0090090 0.0090090 -0.0000000), wk = 0.0034130 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 93) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0034130 k( 94) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0034130 k( 95) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0034130 k( 96) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0034130 k( 97) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0034130 k( 98) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034130 k( 99) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0034130 k( 100) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0034130 k( 101) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0034130 k( 102) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0034130 k( 103) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0034130 k( 104) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034130 k( 105) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0034130 k( 106) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0034130 k( 107) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0034130 k( 108) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0034130 k( 109) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0034130 k( 110) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034130 k( 111) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0034130 k( 112) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0034130 k( 113) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0034130 k( 114) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0034130 k( 115) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0034130 k( 116) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034130 k( 117) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0034130 k( 119) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0034130 k( 120) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0034130 k( 121) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0034130 k( 122) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034130 k( 123) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0034130 k( 124) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0034130 k( 125) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0034130 k( 126) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0034130 k( 127) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0034130 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 130) = ( 0.0156250 0.0000000 0.5000000), wk = 0.0034130 k( 131) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0034130 k( 132) = ( 0.0468750 0.0000000 0.5000000), wk = 0.0034130 k( 133) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0034130 k( 134) = ( 0.0781250 0.0000000 0.5000000), wk = 0.0034130 k( 135) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0034130 k( 136) = ( 0.1093750 0.0000000 0.5000000), wk = 0.0034130 k( 137) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0034130 k( 138) = ( 0.1406250 -0.0000000 0.5000000), wk = 0.0034130 k( 139) = ( 0.1562500 0.0000000 0.5000000), wk = 0.0034130 k( 140) = ( 0.1718750 0.0000000 0.5000000), wk = 0.0034130 k( 141) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0034130 k( 142) = ( 0.2031250 0.0000000 0.5000000), wk = 0.0034130 k( 143) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0034130 k( 144) = ( 0.2343750 0.0000000 0.5000000), wk = 0.0034130 k( 145) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034130 k( 146) = ( 0.2656250 -0.0000000 0.5000000), wk = 0.0034130 k( 147) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0034130 k( 148) = ( 0.2968750 -0.0000000 0.5000000), wk = 0.0034130 k( 149) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0034130 k( 150) = ( 0.3281250 0.0000000 0.5000000), wk = 0.0034130 k( 151) = ( 0.3437500 0.0000000 0.5000000), wk = 0.0034130 k( 152) = ( 0.3593750 0.0000000 0.5000000), wk = 0.0034130 k( 153) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0034130 k( 154) = ( 0.3906250 0.0000000 0.5000000), wk = 0.0034130 k( 155) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0034130 k( 156) = ( 0.4218750 0.0000000 0.5000000), wk = 0.0034130 k( 157) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0034130 k( 158) = ( 0.4531250 0.0000000 0.5000000), wk = 0.0034130 k( 159) = ( 0.4687500 0.0000000 0.5000000), wk = 0.0034130 k( 160) = ( 0.4843750 0.0000000 0.5000000), wk = 0.0034130 k( 161) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034130 k( 162) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034130 k( 163) = ( 0.4912281 0.0175439 0.5000000), wk = 0.0034130 k( 164) = ( 0.4824561 0.0350877 0.5000000), wk = 0.0034130 k( 165) = ( 0.4736842 0.0526316 0.5000000), wk = 0.0034130 k( 166) = ( 0.4649123 0.0701754 0.5000000), wk = 0.0034130 k( 167) = ( 0.4561404 0.0877193 0.5000000), wk = 0.0034130 k( 168) = ( 0.4473684 0.1052632 0.5000000), wk = 0.0034130 k( 169) = ( 0.4385965 0.1228070 0.5000000), wk = 0.0034130 k( 170) = ( 0.4298246 0.1403509 0.5000000), wk = 0.0034130 k( 171) = ( 0.4210526 0.1578947 0.5000000), wk = 0.0034130 k( 172) = ( 0.4122807 0.1754386 0.5000000), wk = 0.0034130 k( 173) = ( 0.4035088 0.1929825 0.5000000), wk = 0.0034130 k( 174) = ( 0.3947368 0.2105263 0.5000000), wk = 0.0034130 k( 175) = ( 0.3859649 0.2280702 0.5000000), wk = 0.0034130 k( 176) = ( 0.3771930 0.2456140 0.5000000), wk = 0.0034130 k( 177) = ( 0.3684211 0.2631579 0.5000000), wk = 0.0034130 k( 178) = ( 0.3596491 0.2807018 0.5000000), wk = 0.0034130 k( 179) = ( 0.3508772 0.2982456 0.5000000), wk = 0.0034130 k( 180) = ( 0.3421053 0.3157895 0.5000000), wk = 0.0034130 k( 181) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 k( 182) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 k( 183) = ( 0.3243243 0.3243243 0.5000000), wk = 0.0034130 k( 184) = ( 0.3153153 0.3153153 0.5000000), wk = 0.0034130 k( 185) = ( 0.3063063 0.3063063 0.5000000), wk = 0.0034130 k( 186) = ( 0.2972973 0.2972973 0.5000000), wk = 0.0034130 k( 187) = ( 0.2882883 0.2882883 0.5000000), wk = 0.0034130 k( 188) = ( 0.2792793 0.2792793 0.5000000), wk = 0.0034130 k( 189) = ( 0.2702703 0.2702703 0.5000000), wk = 0.0034130 k( 190) = ( 0.2612613 0.2612613 0.5000000), wk = 0.0034130 k( 191) = ( 0.2522523 0.2522523 0.5000000), wk = 0.0034130 k( 192) = ( 0.2432432 0.2432432 0.5000000), wk = 0.0034130 k( 193) = ( 0.2342342 0.2342342 0.5000000), wk = 0.0034130 k( 194) = ( 0.2252252 0.2252252 0.5000000), wk = 0.0034130 k( 195) = ( 0.2162162 0.2162162 0.5000000), wk = 0.0034130 k( 196) = ( 0.2072072 0.2072072 0.5000000), wk = 0.0034130 k( 197) = ( 0.1981982 0.1981982 0.5000000), wk = 0.0034130 k( 198) = ( 0.1891892 0.1891892 0.5000000), wk = 0.0034130 k( 199) = ( 0.1801802 0.1801802 0.5000000), wk = 0.0034130 k( 200) = ( 0.1711712 0.1711712 0.5000000), wk = 0.0034130 k( 201) = ( 0.1621622 0.1621622 0.5000000), wk = 0.0034130 k( 202) = ( 0.1531531 0.1531531 0.5000000), wk = 0.0034130 k( 203) = ( 0.1441441 0.1441441 0.5000000), wk = 0.0034130 k( 204) = ( 0.1351351 0.1351351 0.5000000), wk = 0.0034130 k( 205) = ( 0.1261261 0.1261261 0.5000000), wk = 0.0034130 k( 206) = ( 0.1171171 0.1171171 0.5000000), wk = 0.0034130 k( 207) = ( 0.1081081 0.1081081 0.5000000), wk = 0.0034130 k( 208) = ( 0.0990991 0.0990991 0.5000000), wk = 0.0034130 k( 209) = ( 0.0900901 0.0900901 0.5000000), wk = 0.0034130 k( 210) = ( 0.0810811 0.0810811 0.5000000), wk = 0.0034130 k( 211) = ( 0.0720721 0.0720721 0.5000000), wk = 0.0034130 k( 212) = ( 0.0630631 0.0630631 0.5000000), wk = 0.0034130 k( 213) = ( 0.0540540 0.0540540 0.5000000), wk = 0.0034130 k( 214) = ( 0.0450451 0.0450451 0.5000000), wk = 0.0034130 k( 215) = ( 0.0360360 0.0360360 0.5000000), wk = 0.0034130 k( 216) = ( 0.0270270 0.0270270 0.5000000), wk = 0.0034130 k( 217) = ( 0.0180180 0.0180180 0.5000000), wk = 0.0034130 k( 218) = ( 0.0090090 0.0090090 0.5000000), wk = 0.0034130 k( 219) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034130 k( 221) = ( 0.5000000 0.0000000 0.4861111), wk = 0.0034130 k( 222) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0034130 k( 223) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0034130 k( 224) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0034130 k( 225) = ( 0.5000000 0.0000000 0.4305556), wk = 0.0034130 k( 226) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0034130 k( 227) = ( 0.5000000 0.0000000 0.4027778), wk = 0.0034130 k( 228) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0034130 k( 229) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0034130 k( 230) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0034130 k( 231) = ( 0.5000000 0.0000000 0.3472222), wk = 0.0034130 k( 232) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034130 k( 233) = ( 0.5000000 0.0000000 0.3194444), wk = 0.0034130 k( 234) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0034130 k( 235) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0034130 k( 236) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0034130 k( 237) = ( 0.5000000 0.0000000 0.2638889), wk = 0.0034130 k( 238) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0034130 k( 239) = ( 0.5000000 0.0000000 0.2361111), wk = 0.0034130 k( 240) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0034130 k( 241) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0034130 k( 242) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0034130 k( 243) = ( 0.5000000 0.0000000 0.1805556), wk = 0.0034130 k( 244) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034130 k( 245) = ( 0.5000000 0.0000000 0.1527778), wk = 0.0034130 k( 246) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0034130 k( 247) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0034130 k( 248) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0034130 k( 249) = ( 0.5000000 0.0000000 0.0972222), wk = 0.0034130 k( 250) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0034130 k( 251) = ( 0.5000000 0.0000000 0.0694444), wk = 0.0034130 k( 252) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0034130 k( 253) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0034130 k( 254) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0034130 k( 255) = ( 0.5000000 0.0000000 0.0138889), wk = 0.0034130 k( 256) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034130 k( 257) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034130 k( 258) = ( 0.3333333 0.3333333 0.0138889), wk = 0.0034130 k( 259) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0034130 k( 260) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0034130 k( 261) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0034130 k( 262) = ( 0.3333333 0.3333333 0.0694444), wk = 0.0034130 k( 263) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0034130 k( 264) = ( 0.3333333 0.3333333 0.0972222), wk = 0.0034130 k( 265) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0034130 k( 266) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0034130 k( 267) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0034130 k( 268) = ( 0.3333333 0.3333333 0.1527778), wk = 0.0034130 k( 269) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034130 k( 270) = ( 0.3333333 0.3333333 0.1805556), wk = 0.0034130 k( 271) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0034130 k( 272) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0034130 k( 273) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0034130 k( 274) = ( 0.3333333 0.3333333 0.2361111), wk = 0.0034130 k( 275) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0034130 k( 276) = ( 0.3333333 0.3333333 0.2638889), wk = 0.0034130 k( 277) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0034130 k( 278) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0034130 k( 279) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0034130 k( 280) = ( 0.3333333 0.3333333 0.3194444), wk = 0.0034130 k( 281) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034130 k( 282) = ( 0.3333333 0.3333333 0.3472222), wk = 0.0034130 k( 283) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0034130 k( 284) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0034130 k( 285) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0034130 k( 286) = ( 0.3333333 0.3333333 0.4027778), wk = 0.0034130 k( 287) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0034130 k( 288) = ( 0.3333333 0.3333333 0.4305556), wk = 0.0034130 k( 289) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0034130 k( 290) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0034130 k( 291) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0034130 k( 292) = ( 0.3333333 0.3333333 0.4861111), wk = 0.0034130 k( 293) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 Dense grid: 127117 G-vectors FFT dimensions: ( 72, 72, 60) Smooth grid: 31775 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 244, 76) NL pseudopotentials 0.38 Mb ( 122, 204) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3532) G-vector shells 0.01 Mb ( 1628) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.13 Mb ( 244, 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 : ./RbAu5.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 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.3 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 9.1 secs Computing kpt #: 6 total cpu time spent up to now is 10.6 secs Computing kpt #: 7 total cpu time spent up to now is 12.3 secs Computing kpt #: 8 total cpu time spent up to now is 14.0 secs Computing kpt #: 9 total cpu time spent up to now is 15.7 secs Computing kpt #: 10 total cpu time spent up to now is 17.4 secs Computing kpt #: 11 total cpu time spent up to now is 19.0 secs Computing kpt #: 12 total cpu time spent up to now is 20.4 secs Computing kpt #: 13 total cpu time spent up to now is 21.8 secs Computing kpt #: 14 total cpu time spent up to now is 23.2 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 25.9 secs Computing kpt #: 17 total cpu time spent up to now is 27.2 secs Computing kpt #: 18 total cpu time spent up to now is 28.5 secs Computing kpt #: 19 total cpu time spent up to now is 29.7 secs Computing kpt #: 20 total cpu time spent up to now is 30.9 secs Computing kpt #: 21 total cpu time spent up to now is 32.1 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 35.6 secs Computing kpt #: 25 total cpu time spent up to now is 36.7 secs Computing kpt #: 26 total cpu time spent up to now is 38.0 secs Computing kpt #: 27 total cpu time spent up to now is 39.1 secs Computing kpt #: 28 total cpu time spent up to now is 40.3 secs Computing kpt #: 29 total cpu time spent up to now is 41.5 secs Computing kpt #: 30 total cpu time spent up to now is 42.7 secs Computing kpt #: 31 total cpu time spent up to now is 43.8 secs Computing kpt #: 32 total cpu time spent up to now is 45.0 secs Computing kpt #: 33 total cpu time spent up to now is 46.1 secs Computing kpt #: 34 total cpu time spent up to now is 47.3 secs Computing kpt #: 35 total cpu time spent up to now is 48.4 secs Computing kpt #: 36 total cpu time spent up to now is 49.5 secs Computing kpt #: 37 total cpu time spent up to now is 50.7 secs Computing kpt #: 38 total cpu time spent up to now is 51.8 secs Computing kpt #: 39 total cpu time spent up to now is 53.0 secs Computing kpt #: 40 total cpu time spent up to now is 54.4 secs Computing kpt #: 41 total cpu time spent up to now is 55.8 secs Computing kpt #: 42 total cpu time spent up to now is 57.1 secs Computing kpt #: 43 total cpu time spent up to now is 58.3 secs Computing kpt #: 44 total cpu time spent up to now is 59.4 secs Computing kpt #: 45 total cpu time spent up to now is 60.8 secs Computing kpt #: 46 total cpu time spent up to now is 62.1 secs Computing kpt #: 47 total cpu time spent up to now is 63.5 secs Computing kpt #: 48 total cpu time spent up to now is 64.9 secs Computing kpt #: 49 total cpu time spent up to now is 66.3 secs Computing kpt #: 50 total cpu time spent up to now is 67.7 secs Computing kpt #: 51 total cpu time spent up to now is 69.1 secs Computing kpt #: 52 total cpu time spent up to now is 70.5 secs Computing kpt #: 53 total cpu time spent up to now is 71.6 secs Computing kpt #: 54 total cpu time spent up to now is 72.7 secs Computing kpt #: 55 total cpu time spent up to now is 74.1 secs Computing kpt #: 56 total cpu time spent up to now is 75.6 secs Computing kpt #: 57 total cpu time spent up to now is 77.0 secs Computing kpt #: 58 total cpu time spent up to now is 78.3 secs Computing kpt #: 59 total cpu time spent up to now is 79.6 secs Computing kpt #: 60 total cpu time spent up to now is 80.9 secs Computing kpt #: 61 total cpu time spent up to now is 82.2 secs Computing kpt #: 62 total cpu time spent up to now is 83.3 secs Computing kpt #: 63 total cpu time spent up to now is 84.5 secs Computing kpt #: 64 total cpu time spent up to now is 85.6 secs Computing kpt #: 65 total cpu time spent up to now is 86.9 secs Computing kpt #: 66 total cpu time spent up to now is 88.0 secs Computing kpt #: 67 total cpu time spent up to now is 89.2 secs Computing kpt #: 68 total cpu time spent up to now is 90.3 secs Computing kpt #: 69 total cpu time spent up to now is 91.5 secs Computing kpt #: 70 total cpu time spent up to now is 92.6 secs Computing kpt #: 71 total cpu time spent up to now is 93.8 secs Computing kpt #: 72 total cpu time spent up to now is 95.1 secs Computing kpt #: 73 total cpu time spent up to now is 96.3 secs Computing kpt #: 74 total cpu time spent up to now is 97.5 secs Computing kpt #: 75 total cpu time spent up to now is 98.9 secs Computing kpt #: 76 total cpu time spent up to now is 100.4 secs Computing kpt #: 77 total cpu time spent up to now is 102.2 secs Computing kpt #: 78 total cpu time spent up to now is 104.5 secs Computing kpt #: 79 total cpu time spent up to now is 106.2 secs Computing kpt #: 80 total cpu time spent up to now is 107.7 secs Computing kpt #: 81 total cpu time spent up to now is 109.1 secs Computing kpt #: 82 total cpu time spent up to now is 110.5 secs Computing kpt #: 83 total cpu time spent up to now is 112.5 secs Computing kpt #: 84 total cpu time spent up to now is 114.6 secs Computing kpt #: 85 total cpu time spent up to now is 116.2 secs Computing kpt #: 86 total cpu time spent up to now is 117.6 secs Computing kpt #: 87 total cpu time spent up to now is 118.9 secs Computing kpt #: 88 total cpu time spent up to now is 120.3 secs Computing kpt #: 89 total cpu time spent up to now is 121.6 secs Computing kpt #: 90 total cpu time spent up to now is 123.0 secs Computing kpt #: 91 total cpu time spent up to now is 124.3 secs Computing kpt #: 92 total cpu time spent up to now is 125.6 secs Computing kpt #: 93 total cpu time spent up to now is 127.0 secs Computing kpt #: 94 total cpu time spent up to now is 128.3 secs Computing kpt #: 95 total cpu time spent up to now is 129.8 secs Computing kpt #: 96 total cpu time spent up to now is 131.5 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.1 secs Computing kpt #: 98 total cpu time spent up to now is 136.0 secs Computing kpt #: 99 total cpu time spent up to now is 137.4 secs Computing kpt #: 100 total cpu time spent up to now is 138.8 secs Computing kpt #: 101 total cpu time spent up to now is 140.1 secs Computing kpt #: 102 total cpu time spent up to now is 141.5 secs Computing kpt #: 103 total cpu time spent up to now is 142.8 secs Computing kpt #: 104 total cpu time spent up to now is 143.9 secs Computing kpt #: 105 total cpu time spent up to now is 145.2 secs Computing kpt #: 106 total cpu time spent up to now is 146.4 secs Computing kpt #: 107 total cpu time spent up to now is 147.6 secs Computing kpt #: 108 total cpu time spent up to now is 149.0 secs Computing kpt #: 109 total cpu time spent up to now is 150.0 secs Computing kpt #: 110 total cpu time spent up to now is 151.1 secs Computing kpt #: 111 total cpu time spent up to now is 152.1 secs Computing kpt #: 112 total cpu time spent up to now is 153.1 secs Computing kpt #: 113 total cpu time spent up to now is 154.1 secs Computing kpt #: 114 total cpu time spent up to now is 155.2 secs Computing kpt #: 115 total cpu time spent up to now is 156.2 secs Computing kpt #: 116 total cpu time spent up to now is 157.2 secs Computing kpt #: 117 total cpu time spent up to now is 158.2 secs Computing kpt #: 118 total cpu time spent up to now is 159.2 secs Computing kpt #: 119 total cpu time spent up to now is 160.2 secs Computing kpt #: 120 total cpu time spent up to now is 161.2 secs Computing kpt #: 121 total cpu time spent up to now is 162.2 secs Computing kpt #: 122 total cpu time spent up to now is 163.2 secs Computing kpt #: 123 total cpu time spent up to now is 164.2 secs Computing kpt #: 124 total cpu time spent up to now is 165.2 secs Computing kpt #: 125 total cpu time spent up to now is 166.2 secs Computing kpt #: 126 total cpu time spent up to now is 167.2 secs Computing kpt #: 127 total cpu time spent up to now is 168.2 secs Computing kpt #: 128 total cpu time spent up to now is 169.2 secs Computing kpt #: 129 total cpu time spent up to now is 170.1 secs Computing kpt #: 130 total cpu time spent up to now is 171.2 secs Computing kpt #: 131 total cpu time spent up to now is 172.2 secs Computing kpt #: 132 total cpu time spent up to now is 173.2 secs Computing kpt #: 133 total cpu time spent up to now is 174.2 secs Computing kpt #: 134 total cpu time spent up to now is 175.2 secs Computing kpt #: 135 total cpu time spent up to now is 176.3 secs Computing kpt #: 136 total cpu time spent up to now is 177.3 secs Computing kpt #: 137 total cpu time spent up to now is 178.4 secs Computing kpt #: 138 total cpu time spent up to now is 179.4 secs Computing kpt #: 139 total cpu time spent up to now is 180.4 secs Computing kpt #: 140 total cpu time spent up to now is 181.5 secs Computing kpt #: 141 total cpu time spent up to now is 182.5 secs Computing kpt #: 142 total cpu time spent up to now is 183.5 secs Computing kpt #: 143 total cpu time spent up to now is 184.5 secs Computing kpt #: 144 total cpu time spent up to now is 185.5 secs Computing kpt #: 145 total cpu time spent up to now is 186.5 secs Computing kpt #: 146 total cpu time spent up to now is 187.5 secs Computing kpt #: 147 total cpu time spent up to now is 188.6 secs Computing kpt #: 148 total cpu time spent up to now is 189.6 secs Computing kpt #: 149 total cpu time spent up to now is 190.6 secs Computing kpt #: 150 total cpu time spent up to now is 191.6 secs Computing kpt #: 151 total cpu time spent up to now is 192.6 secs Computing kpt #: 152 total cpu time spent up to now is 193.6 secs Computing kpt #: 153 total cpu time spent up to now is 194.6 secs Computing kpt #: 154 total cpu time spent up to now is 195.6 secs Computing kpt #: 155 total cpu time spent up to now is 196.6 secs Computing kpt #: 156 total cpu time spent up to now is 197.7 secs Computing kpt #: 157 total cpu time spent up to now is 198.7 secs Computing kpt #: 158 total cpu time spent up to now is 199.8 secs Computing kpt #: 159 total cpu time spent up to now is 201.2 secs Computing kpt #: 160 total cpu time spent up to now is 202.8 secs Computing kpt #: 161 total cpu time spent up to now is 204.5 secs Computing kpt #: 162 total cpu time spent up to now is 206.2 secs Computing kpt #: 163 total cpu time spent up to now is 207.8 secs Computing kpt #: 164 total cpu time spent up to now is 209.5 secs Computing kpt #: 165 total cpu time spent up to now is 211.2 secs Computing kpt #: 166 total cpu time spent up to now is 212.8 secs Computing kpt #: 167 total cpu time spent up to now is 214.5 secs Computing kpt #: 168 total cpu time spent up to now is 215.8 secs Computing kpt #: 169 total cpu time spent up to now is 217.1 secs Computing kpt #: 170 total cpu time spent up to now is 218.3 secs Computing kpt #: 171 total cpu time spent up to now is 219.5 secs Computing kpt #: 172 total cpu time spent up to now is 220.7 secs Computing kpt #: 173 total cpu time spent up to now is 222.0 secs Computing kpt #: 174 total cpu time spent up to now is 223.1 secs Computing kpt #: 175 total cpu time spent up to now is 224.2 secs Computing kpt #: 176 total cpu time spent up to now is 225.3 secs Computing kpt #: 177 total cpu time spent up to now is 226.5 secs Computing kpt #: 178 total cpu time spent up to now is 227.6 secs Computing kpt #: 179 total cpu time spent up to now is 228.7 secs Computing kpt #: 180 total cpu time spent up to now is 229.9 secs Computing kpt #: 181 total cpu time spent up to now is 231.0 secs Computing kpt #: 182 total cpu time spent up to now is 232.2 secs Computing kpt #: 183 total cpu time spent up to now is 233.3 secs Computing kpt #: 184 total cpu time spent up to now is 234.4 secs Computing kpt #: 185 total cpu time spent up to now is 235.5 secs Computing kpt #: 186 total cpu time spent up to now is 236.6 secs Computing kpt #: 187 total cpu time spent up to now is 237.6 secs Computing kpt #: 188 total cpu time spent up to now is 238.7 secs Computing kpt #: 189 total cpu time spent up to now is 239.8 secs Computing kpt #: 190 total cpu time spent up to now is 240.9 secs Computing kpt #: 191 total cpu time spent up to now is 242.0 secs Computing kpt #: 192 total cpu time spent up to now is 243.1 secs Computing kpt #: 193 total cpu time spent up to now is 244.2 secs Computing kpt #: 194 total cpu time spent up to now is 245.3 secs Computing kpt #: 195 total cpu time spent up to now is 246.4 secs Computing kpt #: 196 total cpu time spent up to now is 247.4 secs Computing kpt #: 197 total cpu time spent up to now is 248.4 secs Computing kpt #: 198 total cpu time spent up to now is 249.5 secs Computing kpt #: 199 total cpu time spent up to now is 250.5 secs Computing kpt #: 200 total cpu time spent up to now is 251.5 secs Computing kpt #: 201 total cpu time spent up to now is 252.6 secs Computing kpt #: 202 total cpu time spent up to now is 253.6 secs Computing kpt #: 203 total cpu time spent up to now is 254.6 secs Computing kpt #: 204 total cpu time spent up to now is 255.6 secs Computing kpt #: 205 total cpu time spent up to now is 256.5 secs Computing kpt #: 206 total cpu time spent up to now is 257.4 secs Computing kpt #: 207 total cpu time spent up to now is 258.3 secs Computing kpt #: 208 total cpu time spent up to now is 259.3 secs Computing kpt #: 209 total cpu time spent up to now is 260.3 secs Computing kpt #: 210 total cpu time spent up to now is 261.3 secs Computing kpt #: 211 total cpu time spent up to now is 262.6 secs Computing kpt #: 212 total cpu time spent up to now is 263.6 secs Computing kpt #: 213 total cpu time spent up to now is 264.7 secs Computing kpt #: 214 total cpu time spent up to now is 265.7 secs Computing kpt #: 215 total cpu time spent up to now is 266.7 secs Computing kpt #: 216 total cpu time spent up to now is 267.7 secs Computing kpt #: 217 total cpu time spent up to now is 268.7 secs Computing kpt #: 218 total cpu time spent up to now is 269.7 secs Computing kpt #: 219 total cpu time spent up to now is 270.7 secs Computing kpt #: 220 total cpu time spent up to now is 272.4 secs Computing kpt #: 221 total cpu time spent up to now is 274.0 secs Computing kpt #: 222 total cpu time spent up to now is 275.6 secs Computing kpt #: 223 total cpu time spent up to now is 277.3 secs Computing kpt #: 224 total cpu time spent up to now is 278.5 secs Computing kpt #: 225 total cpu time spent up to now is 279.7 secs Computing kpt #: 226 total cpu time spent up to now is 281.0 secs Computing kpt #: 227 total cpu time spent up to now is 282.2 secs Computing kpt #: 228 total cpu time spent up to now is 283.4 secs Computing kpt #: 229 total cpu time spent up to now is 284.6 secs Computing kpt #: 230 total cpu time spent up to now is 285.7 secs Computing kpt #: 231 total cpu time spent up to now is 286.9 secs Computing kpt #: 232 total cpu time spent up to now is 288.0 secs Computing kpt #: 233 total cpu time spent up to now is 289.1 secs Computing kpt #: 234 total cpu time spent up to now is 290.2 secs Computing kpt #: 235 total cpu time spent up to now is 291.3 secs Computing kpt #: 236 total cpu time spent up to now is 292.4 secs Computing kpt #: 237 total cpu time spent up to now is 293.5 secs Computing kpt #: 238 total cpu time spent up to now is 294.5 secs Computing kpt #: 239 total cpu time spent up to now is 295.6 secs Computing kpt #: 240 total cpu time spent up to now is 296.7 secs Computing kpt #: 241 total cpu time spent up to now is 297.7 secs Computing kpt #: 242 total cpu time spent up to now is 298.8 secs Computing kpt #: 243 total cpu time spent up to now is 299.9 secs Computing kpt #: 244 total cpu time spent up to now is 301.0 secs Computing kpt #: 245 total cpu time spent up to now is 302.1 secs Computing kpt #: 246 total cpu time spent up to now is 303.2 secs Computing kpt #: 247 total cpu time spent up to now is 304.3 secs Computing kpt #: 248 total cpu time spent up to now is 305.3 secs Computing kpt #: 249 total cpu time spent up to now is 306.3 secs Computing kpt #: 250 total cpu time spent up to now is 307.5 secs Computing kpt #: 251 total cpu time spent up to now is 308.6 secs Computing kpt #: 252 total cpu time spent up to now is 309.6 secs Computing kpt #: 253 total cpu time spent up to now is 310.7 secs Computing kpt #: 254 total cpu time spent up to now is 311.8 secs Computing kpt #: 255 total cpu time spent up to now is 312.8 secs Computing kpt #: 256 total cpu time spent up to now is 314.0 secs Computing kpt #: 257 total cpu time spent up to now is 314.9 secs Computing kpt #: 258 total cpu time spent up to now is 315.9 secs Computing kpt #: 259 total cpu time spent up to now is 317.1 secs Computing kpt #: 260 total cpu time spent up to now is 318.2 secs Computing kpt #: 261 total cpu time spent up to now is 319.8 secs Computing kpt #: 262 total cpu time spent up to now is 321.3 secs Computing kpt #: 263 total cpu time spent up to now is 322.5 secs Computing kpt #: 264 total cpu time spent up to now is 323.7 secs Computing kpt #: 265 total cpu time spent up to now is 324.8 secs Computing kpt #: 266 total cpu time spent up to now is 325.9 secs Computing kpt #: 267 total cpu time spent up to now is 326.9 secs Computing kpt #: 268 total cpu time spent up to now is 328.0 secs Computing kpt #: 269 total cpu time spent up to now is 328.9 secs Computing kpt #: 270 total cpu time spent up to now is 329.8 secs Computing kpt #: 271 total cpu time spent up to now is 330.7 secs Computing kpt #: 272 total cpu time spent up to now is 331.6 secs Computing kpt #: 273 total cpu time spent up to now is 332.5 secs Computing kpt #: 274 total cpu time spent up to now is 333.4 secs Computing kpt #: 275 total cpu time spent up to now is 334.3 secs Computing kpt #: 276 total cpu time spent up to now is 335.2 secs Computing kpt #: 277 total cpu time spent up to now is 336.1 secs Computing kpt #: 278 total cpu time spent up to now is 337.1 secs Computing kpt #: 279 total cpu time spent up to now is 338.0 secs Computing kpt #: 280 total cpu time spent up to now is 338.9 secs Computing kpt #: 281 total cpu time spent up to now is 339.9 secs Computing kpt #: 282 total cpu time spent up to now is 340.8 secs Computing kpt #: 283 total cpu time spent up to now is 341.8 secs Computing kpt #: 284 total cpu time spent up to now is 342.8 secs Computing kpt #: 285 total cpu time spent up to now is 343.8 secs Computing kpt #: 286 total cpu time spent up to now is 344.9 secs Computing kpt #: 287 total cpu time spent up to now is 345.9 secs Computing kpt #: 288 total cpu time spent up to now is 347.0 secs Computing kpt #: 289 total cpu time spent up to now is 348.1 secs Computing kpt #: 290 total cpu time spent up to now is 349.2 secs Computing kpt #: 291 total cpu time spent up to now is 350.3 secs Computing kpt #: 292 total cpu time spent up to now is 351.5 secs Computing kpt #: 293 total cpu time spent up to now is 352.6 secs ethr = 1.56E-08, avg # of iterations = 34.2 total cpu time spent up to now is 352.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4001 PWs) bands (ev): -14.4168 -14.4168 0.7336 0.7336 1.5075 1.5075 1.6557 1.6557 3.2145 3.2145 5.4816 5.4816 5.9850 5.9850 6.0634 6.0634 6.1678 6.1678 6.2121 6.2121 6.3064 6.3064 6.4431 6.4431 6.7479 6.7479 6.8139 6.8139 6.9059 6.9059 7.3477 7.3477 7.6628 7.6628 8.2188 8.2188 8.4456 8.4456 8.4642 8.4642 8.6810 8.6810 9.0167 9.0167 9.0307 9.0307 9.2305 9.2305 9.2398 9.2398 9.2907 9.2907 9.9573 9.9573 10.1150 10.1150 10.8324 10.8324 10.8390 10.8390 11.0985 11.0985 12.9548 12.9548 13.1457 13.1457 13.4408 13.4408 13.9432 13.9432 14.5331 14.5331 15.7554 15.7554 18.8108 18.8108 k = 0.0156 0.0090-0.0000 ( 3983 PWs) bands (ev): -14.4168 -14.4168 0.7334 0.7334 1.5071 1.5071 1.6556 1.6556 3.2165 3.2165 5.4830 5.4830 5.9855 5.9855 6.0638 6.0638 6.1680 6.1680 6.2126 6.2126 6.3070 6.3070 6.4421 6.4421 6.7475 6.7475 6.8144 6.8144 6.9041 6.9041 7.3482 7.3482 7.6621 7.6621 8.2187 8.2187 8.4460 8.4460 8.4642 8.4642 8.6815 8.6815 9.0163 9.0163 9.0310 9.0310 9.2303 9.2303 9.2394 9.2394 9.2906 9.2906 9.9569 9.9569 10.1128 10.1128 10.8292 10.8292 10.8369 10.8369 11.0930 11.0930 12.9519 12.9519 13.1505 13.1505 13.4377 13.4377 13.9508 13.9508 14.5385 14.5385 15.7597 15.7597 18.8115 18.8115 k = 0.0312 0.0180-0.0000 ( 3967 PWs) bands (ev): -14.4168 -14.4168 0.7330 0.7330 1.5060 1.5060 1.6552 1.6552 3.2225 3.2225 5.4873 5.4873 5.9868 5.9868 6.0650 6.0650 6.1686 6.1686 6.2141 6.2141 6.3088 6.3088 6.4392 6.4392 6.7461 6.7461 6.8161 6.8161 6.8990 6.8990 7.3497 7.3497 7.6601 7.6601 8.2184 8.2184 8.4474 8.4474 8.4640 8.4640 8.6831 8.6831 9.0152 9.0152 9.0318 9.0318 9.2298 9.2298 9.2382 9.2382 9.2902 9.2902 9.9557 9.9557 10.1062 10.1062 10.8167 10.8167 10.8337 10.8337 11.0767 11.0767 12.9430 12.9430 13.1649 13.1649 13.4292 13.4292 13.9730 13.9730 14.5547 14.5547 15.7724 15.7724 18.8134 18.8134 k = 0.0469 0.0271-0.0000 ( 3975 PWs) bands (ev): -14.4168 -14.4168 0.7321 0.7321 1.5042 1.5042 1.6545 1.6545 3.2325 3.2325 5.4943 5.4943 5.9889 5.9889 6.0670 6.0670 6.1695 6.1695 6.2165 6.2165 6.3117 6.3117 6.4344 6.4344 6.7439 6.7439 6.8188 6.8188 6.8908 6.8908 7.3517 7.3517 7.6570 7.6570 8.2179 8.2179 8.4496 8.4496 8.4637 8.4637 8.6858 8.6858 9.0134 9.0134 9.0331 9.0331 9.2289 9.2289 9.2362 9.2362 9.2895 9.2895 9.9536 9.9536 10.0954 10.0954 10.7949 10.7949 10.8296 10.8296 11.0505 11.0505 12.9278 12.9278 13.1881 13.1881 13.4166 13.4166 14.0081 14.0081 14.5822 14.5822 15.7931 15.7931 18.8159 18.8159 k = 0.0625 0.0361-0.0000 ( 3977 PWs) bands (ev): -14.4167 -14.4167 0.7310 0.7310 1.5018 1.5018 1.6536 1.6536 3.2463 3.2463 5.5041 5.5041 5.9918 5.9918 6.0697 6.0697 6.1706 6.1706 6.2198 6.2198 6.3160 6.3160 6.4276 6.4276 6.7408 6.7408 6.8225 6.8225 6.8800 6.8800 7.3539 7.3539 7.6530 7.6530 8.2173 8.2173 8.4527 8.4527 8.4633 8.4633 8.6894 8.6894 9.0112 9.0112 9.0348 9.0348 9.2275 9.2275 9.2335 9.2335 9.2886 9.2886 9.9508 9.9508 10.0802 10.0802 10.7648 10.7648 10.8239 10.8239 11.0159 11.0159 12.9062 12.9062 13.2192 13.2192 13.4011 13.4011 14.0546 14.0546 14.6216 14.6216 15.8211 15.8211 18.8178 18.8178 k = 0.0781 0.0451-0.0000 ( 3985 PWs) bands (ev): -14.4167 -14.4167 0.7296 0.7296 1.4987 1.4987 1.6525 1.6525 3.2640 3.2640 5.5166 5.5166 5.9955 5.9955 6.0731 6.0731 6.1717 6.1717 6.2238 6.2238 6.3216 6.3216 6.4188 6.4188 6.7371 6.7371 6.8273 6.8273 6.8673 6.8673 7.3558 7.3558 7.6485 7.6485 8.2166 8.2166 8.4564 8.4564 8.4628 8.4628 8.6938 8.6938 9.0084 9.0084 9.0368 9.0368 9.2252 9.2252 9.2305 9.2305 9.2875 9.2875 9.9470 9.9470 10.0608 10.0608 10.7274 10.7274 10.8158 10.8158 10.9749 10.9749 12.8790 12.8790 13.2553 13.2553 13.3845 13.3845 14.1117 14.1117 14.6725 14.6725 15.8557 15.8557 18.8171 18.8171 k = 0.0938 0.0541-0.0000 ( 3983 PWs) bands (ev): -14.4167 -14.4167 0.7279 0.7279 1.4950 1.4950 1.6512 1.6512 3.2854 3.2854 5.5316 5.5316 5.9999 5.9999 6.0773 6.0773 6.1725 6.1725 6.2283 6.2283 6.3285 6.3285 6.4084 6.4084 6.7327 6.7327 6.8328 6.8328 6.8536 6.8536 7.3566 7.3566 7.6439 7.6439 8.2161 8.2161 8.4607 8.4607 8.4621 8.4621 8.6989 8.6989 9.0051 9.0051 9.0391 9.0391 9.2215 9.2215 9.2277 9.2277 9.2862 9.2862 9.9424 9.9424 10.0374 10.0374 10.6836 10.6836 10.8034 10.8034 10.9308 10.9308 12.8472 12.8472 13.2863 13.2863 13.3755 13.3755 14.1793 14.1793 14.7342 14.7342 15.8963 15.8963 18.8101 18.8101 k = 0.1094 0.0631-0.0000 ( 3977 PWs) bands (ev): -14.4166 -14.4166 0.7260 0.7260 1.4908 1.4908 1.6498 1.6498 3.3103 3.3103 5.5490 5.5490 6.0049 6.0049 6.0820 6.0820 6.1728 6.1728 6.2331 6.2331 6.3362 6.3362 6.3969 6.3969 6.7278 6.7278 6.8339 6.8339 6.8445 6.8445 7.3559 7.3559 7.6396 7.6396 8.2157 8.2157 8.4611 8.4611 8.4658 8.4658 8.7045 8.7045 9.0014 9.0014 9.0416 9.0416 9.2163 9.2163 9.2253 9.2253 9.2848 9.2848 9.9367 9.9367 10.0103 10.0103 10.6343 10.6343 10.7825 10.7825 10.8893 10.8893 12.8123 12.8123 13.2856 13.2856 13.3991 13.3991 14.2569 14.2569 14.8056 14.8056 15.9420 15.9420 18.7886 18.7886 k = 0.1250 0.0722-0.0000 ( 3975 PWs) bands (ev): -14.4165 -14.4165 0.7238 0.7238 1.4861 1.4861 1.6483 1.6483 3.3385 3.3385 5.5686 5.5686 6.0104 6.0104 6.0874 6.0874 6.1721 6.1721 6.2380 6.2380 6.3431 6.3431 6.3866 6.3866 6.7227 6.7227 6.8207 6.8207 6.8505 6.8505 7.3532 7.3532 7.6361 7.6361 8.2155 8.2155 8.4600 8.4600 8.4712 8.4712 8.7104 8.7104 8.9972 8.9972 9.0442 9.0442 9.2098 9.2098 9.2228 9.2228 9.2834 9.2834 9.9293 9.9293 9.9801 9.9801 10.5804 10.5804 10.7471 10.7471 10.8579 10.8579 12.7757 12.7757 13.2561 13.2561 13.4516 13.4516 14.3441 14.3441 14.8849 14.8849 15.9926 15.9926 18.7451 18.7451 k = 0.1406 0.0812-0.0000 ( 3977 PWs) bands (ev): -14.4165 -14.4165 0.7214 0.7214 1.4810 1.4810 1.6467 1.6467 3.3701 3.3701 5.5903 5.5903 6.0163 6.0163 6.0932 6.0932 6.1696 6.1696 6.2427 6.2427 6.3440 6.3440 6.3831 6.3831 6.7177 6.7177 6.8053 6.8053 6.8597 6.8597 7.3483 7.3483 7.6337 7.6337 8.2156 8.2156 8.4588 8.4588 8.4770 8.4770 8.7166 8.7166 8.9927 8.9927 9.0470 9.0470 9.2022 9.2022 9.2202 9.2202 9.2819 9.2819 9.9178 9.9178 9.9498 9.9498 10.5227 10.5227 10.6969 10.6969 10.8381 10.8381 12.7386 12.7386 13.2147 13.2147 13.5159 13.5159 14.4397 14.4397 14.9708 14.9708 16.0475 16.0475 18.6896 18.6896 k = 0.1562 0.0902-0.0000 ( 3965 PWs) bands (ev): -14.4164 -14.4164 0.7188 0.7188 1.4757 1.4757 1.6451 1.6451 3.4046 3.4046 5.6139 5.6139 6.0223 6.0223 6.0995 6.0995 6.1642 6.1642 6.2471 6.2471 6.3363 6.3363 6.3904 6.3904 6.7130 6.7130 6.7899 6.7899 6.8703 6.8703 7.3409 7.3409 7.6326 7.6326 8.2160 8.2160 8.4574 8.4574 8.4831 8.4831 8.7227 8.7227 8.9876 8.9876 9.0497 9.0497 9.1937 9.1937 9.2173 9.2173 9.2806 9.2806 9.8932 9.8932 9.9286 9.9286 10.4620 10.4620 10.6379 10.6379 10.8251 10.8251 12.7020 12.7020 13.1666 13.1666 13.5868 13.5868 14.5423 14.5423 15.0616 15.0616 16.1067 16.1067 18.6331 18.6331 k = 0.1719 0.0992-0.0000 ( 3957 PWs) bands (ev): -14.4163 -14.4163 0.7160 0.7160 1.4701 1.4701 1.6435 1.6435 3.4421 3.4421 5.6389 5.6389 6.0284 6.0284 6.1060 6.1060 6.1547 6.1547 6.2510 6.2510 6.3260 6.3260 6.4036 6.4036 6.7092 6.7092 6.7746 6.7746 6.8822 6.8822 7.3313 7.3313 7.6328 7.6328 8.2166 8.2166 8.4558 8.4558 8.4894 8.4894 8.7288 8.7288 8.9821 8.9821 9.0522 9.0522 9.1842 9.1842 9.2141 9.2141 9.2793 9.2793 9.8558 9.8558 9.9166 9.9166 10.3991 10.3991 10.5747 10.5747 10.8153 10.8153 12.6665 12.6665 13.1141 13.1141 13.6623 13.6623 14.6506 14.6506 15.1561 15.1561 16.1700 16.1700 18.5793 18.5793 k = 0.1875 0.1083-0.0000 ( 3963 PWs) bands (ev): -14.4162 -14.4162 0.7132 0.7132 1.4644 1.4644 1.6418 1.6418 3.4822 3.4822 5.6652 5.6652 6.0342 6.0342 6.1118 6.1118 6.1408 6.1408 6.2546 6.2546 6.3177 6.3177 6.4194 6.4194 6.7064 6.7064 6.7597 6.7597 6.8954 6.8954 7.3198 7.3198 7.6344 7.6344 8.2174 8.2174 8.4540 8.4540 8.4960 8.4960 8.7345 8.7345 8.9760 8.9760 9.0545 9.0545 9.1740 9.1740 9.2105 9.2105 9.2783 9.2783 9.8131 9.8131 9.9067 9.9067 10.3347 10.3347 10.5099 10.5099 10.8072 10.8072 12.6326 12.6326 13.0588 13.0588 13.7416 13.7416 14.7628 14.7628 15.2532 15.2532 16.2377 16.2377 18.5290 18.5290 k = 0.2031 0.1173-0.0000 ( 3965 PWs) bands (ev): -14.4161 -14.4161 0.7102 0.7102 1.4585 1.4585 1.6402 1.6402 3.5248 3.5248 5.6923 5.6923 6.0390 6.0390 6.1090 6.1090 6.1304 6.1304 6.2581 6.2581 6.3133 6.3133 6.4362 6.4362 6.7052 6.7052 6.7452 6.7452 6.9098 6.9098 7.3068 7.3068 7.6370 7.6370 8.2183 8.2183 8.4521 8.4521 8.5027 8.5027 8.7399 8.7399 8.9692 8.9692 9.0562 9.0562 9.1629 9.1629 9.2064 9.2064 9.2776 9.2776 9.7679 9.7679 9.8969 9.8969 10.2695 10.2695 10.4449 10.4449 10.7999 10.7999 12.6008 12.6008 13.0019 13.0019 13.8238 13.8238 14.8773 14.8773 15.3520 15.3520 16.3097 16.3097 18.4822 18.4822 k = 0.2188 0.1263-0.0000 ( 3963 PWs) bands (ev): -14.4160 -14.4160 0.7071 0.7071 1.4527 1.4527 1.6386 1.6386 3.5697 3.5697 5.7196 5.7196 6.0405 6.0405 6.0891 6.0891 6.1346 6.1346 6.2618 6.2618 6.3125 6.3125 6.4531 6.4531 6.7056 6.7056 6.7314 6.7314 6.9255 6.9255 7.2928 7.2928 7.6407 7.6407 8.2190 8.2190 8.4500 8.4500 8.5096 8.5096 8.7449 8.7449 8.9616 8.9616 9.0572 9.0572 9.1512 9.1512 9.2018 9.2018 9.2772 9.2772 9.7212 9.7212 9.8867 9.8867 10.2039 10.2039 10.3807 10.3807 10.7934 10.7934 12.5711 12.5711 12.9443 12.9443 13.9082 13.9082 14.9927 14.9927 15.4516 15.4516 16.3862 16.3862 18.4372 18.4372 k = 0.2344 0.1353-0.0000 ( 3965 PWs) bands (ev): -14.4159 -14.4159 0.7040 0.7040 1.4470 1.4470 1.6370 1.6370 3.6167 3.6167 5.7462 5.7462 6.0303 6.0303 6.0728 6.0728 6.1428 6.1428 6.2659 6.2659 6.3148 6.3148 6.4691 6.4691 6.7063 6.7063 6.7197 6.7197 6.9424 6.9424 7.2786 7.2786 7.6452 7.6452 8.2194 8.2194 8.4477 8.4477 8.5166 8.5166 8.7495 8.7495 8.9531 8.9531 9.0572 9.0572 9.1389 9.1389 9.1965 9.1965 9.2772 9.2772 9.6742 9.6742 9.8759 9.8759 10.1388 10.1388 10.3182 10.3182 10.7874 10.7874 12.5436 12.5436 12.8869 12.8869 13.9944 13.9944 15.1075 15.1075 15.5516 15.5516 16.4670 16.4670 18.3857 18.3857 k = 0.2500 0.1443-0.0000 ( 3953 PWs) bands (ev): -14.4158 -14.4158 0.7009 0.7009 1.4413 1.4413 1.6355 1.6355 3.6656 3.6656 5.7706 5.7706 6.0033 6.0033 6.0701 6.0701 6.1520 6.1520 6.2704 6.2704 6.3191 6.3191 6.4836 6.4836 6.6995 6.6995 6.7186 6.7186 6.9605 6.9605 7.2647 7.2647 7.6503 7.6503 8.2191 8.2191 8.4454 8.4454 8.5237 8.5237 8.7535 8.7535 8.9435 8.9435 9.0559 9.0559 9.1261 9.1261 9.1906 9.1906 9.2778 9.2778 9.6277 9.6277 9.8642 9.8642 10.0746 10.0746 10.2579 10.2579 10.7818 10.7818 12.5183 12.5183 12.8305 12.8305 14.0817 14.0817 15.2203 15.2203 15.6514 15.6514 16.5520 16.5520 18.3093 18.3093 k = 0.2656 0.1534-0.0000 ( 3957 PWs) bands (ev): -14.4157 -14.4157 0.6979 0.6979 1.4359 1.4359 1.6340 1.6340 3.7161 3.7161 5.7898 5.7898 5.9722 5.9722 6.0727 6.0727 6.1617 6.1617 6.2754 6.2754 6.3251 6.3251 6.4960 6.4960 6.6874 6.6874 6.7255 6.7255 6.9799 6.9799 7.2520 7.2520 7.6559 7.6559 8.2178 8.2178 8.4430 8.4430 8.5309 8.5309 8.7570 8.7570 8.9325 8.9325 9.0529 9.0529 9.1127 9.1127 9.1839 9.1839 9.2789 9.2789 9.5828 9.5828 9.8515 9.8515 10.0123 10.0123 10.2004 10.2004 10.7766 10.7766 12.4952 12.4952 12.7757 12.7757 14.1697 14.1697 15.3301 15.3301 15.7507 15.7507 16.6404 16.6404 18.2128 18.2128 k = 0.2812 0.1624-0.0000 ( 3970 PWs) bands (ev): -14.4156 -14.4156 0.6948 0.6948 1.4306 1.4306 1.6327 1.6327 3.7679 3.7679 5.7969 5.7969 5.9483 5.9483 6.0764 6.0764 6.1718 6.1718 6.2806 6.2806 6.3322 6.3322 6.5057 6.5057 6.6750 6.6750 6.7353 6.7353 7.0005 7.0005 7.2411 7.2411 7.6620 7.6620 8.2150 8.2150 8.4406 8.4406 8.5382 8.5382 8.7601 8.7601 8.9201 8.9201 9.0479 9.0479 9.0986 9.0986 9.1769 9.1769 9.2805 9.2805 9.5407 9.5407 9.8370 9.8370 9.9530 9.9530 10.1462 10.1462 10.7718 10.7718 12.4742 12.4742 12.7229 12.7229 14.2578 14.2578 15.4358 15.4358 15.8492 15.8492 16.7311 16.7311 18.1084 18.1084 k = 0.2969 0.1714-0.0000 ( 3966 PWs) bands (ev): -14.4155 -14.4155 0.6919 0.6919 1.4257 1.4257 1.6313 1.6313 3.8209 3.8209 5.7838 5.7838 5.9413 5.9413 6.0802 6.0802 6.1821 6.1821 6.2859 6.2859 6.3401 6.3401 6.5129 6.5129 6.6633 6.6633 6.7464 6.7464 7.0223 7.0223 7.2329 7.2329 7.6685 7.6685 8.2102 8.2102 8.4384 8.4384 8.5456 8.5456 8.7626 8.7626 8.9061 8.9061 9.0408 9.0408 9.0833 9.0833 9.1699 9.1699 9.2825 9.2825 9.5024 9.5024 9.8189 9.8189 9.8989 9.8989 10.0957 10.0957 10.7674 10.7674 12.4550 12.4550 12.6728 12.6728 14.3455 14.3455 15.5371 15.5371 15.9467 15.9467 16.8224 16.8224 18.0004 18.0004 k = 0.3125 0.1804-0.0000 ( 3962 PWs) bands (ev): -14.4154 -14.4154 0.6891 0.6891 1.4210 1.4210 1.6301 1.6301 3.8747 3.8747 5.7516 5.7516 5.9504 5.9504 6.0839 6.0839 6.1923 6.1923 6.2914 6.2914 6.3487 6.3487 6.5175 6.5175 6.6527 6.6527 6.7576 6.7576 7.0452 7.0452 7.2282 7.2282 7.6753 7.6753 8.2030 8.2030 8.4363 8.4363 8.5530 8.5530 8.7647 8.7647 8.8904 8.8904 9.0317 9.0317 9.0664 9.0664 9.1634 9.1634 9.2849 9.2849 9.4685 9.4685 9.7932 9.7932 9.8547 9.8547 10.0494 10.0494 10.7633 10.7633 12.4375 12.4375 12.6257 12.6257 14.4322 14.4322 15.6337 15.6337 16.0427 16.0427 16.9122 16.9122 17.8910 17.8910 k = 0.3281 0.1894-0.0000 ( 3956 PWs) bands (ev): -14.4154 -14.4154 0.6864 0.6864 1.4166 1.4166 1.6289 1.6289 3.9289 3.9289 5.7087 5.7087 5.9675 5.9675 6.0875 6.0875 6.2023 6.2023 6.2969 6.2969 6.3576 6.3576 6.5198 6.5198 6.6433 6.6433 6.7677 6.7677 7.0692 7.0692 7.2275 7.2275 7.6826 7.6826 8.1928 8.1928 8.4345 8.4345 8.5605 8.5605 8.7661 8.7661 8.8733 8.8733 9.0209 9.0209 9.0478 9.0478 9.1577 9.1577 9.2876 9.2876 9.4395 9.4395 9.7565 9.7565 9.8242 9.8242 10.0077 10.0077 10.7596 10.7596 12.4216 12.4216 12.5819 12.5819 14.5173 14.5173 15.7259 15.7259 16.1366 16.1366 16.9976 16.9976 17.7819 17.7819 k = 0.3438 0.1985-0.0000 ( 3958 PWs) bands (ev): -14.4153 -14.4153 0.6839 0.6839 1.4125 1.4125 1.6278 1.6278 3.9832 3.9832 5.6610 5.6610 5.9872 5.9872 6.0910 6.0910 6.2119 6.2119 6.3025 6.3025 6.3668 6.3668 6.5202 6.5202 6.6356 6.6356 6.7756 6.7756 7.0940 7.0940 7.2314 7.2314 7.6903 7.6903 8.1794 8.1794 8.4329 8.4329 8.5680 8.5680 8.7665 8.7665 8.8552 8.8552 9.0085 9.0085 9.0285 9.0285 9.1531 9.1531 9.2903 9.2903 9.4150 9.4150 9.7147 9.7147 9.8021 9.8021 9.9708 9.9708 10.7563 10.7563 12.4069 12.4069 12.5420 12.5420 14.6000 14.6000 15.8141 15.8141 16.2277 16.2277 17.0757 17.0757 17.6745 17.6745 k = 0.3594 0.2075-0.0000 ( 3954 PWs) bands (ev): -14.4152 -14.4152 0.6815 0.6815 1.4088 1.4088 1.6269 1.6269 4.0370 4.0370 5.6112 5.6112 6.0067 6.0067 6.0946 6.0946 6.2207 6.2207 6.3082 6.3082 6.3759 6.3759 6.5189 6.5189 6.6295 6.6295 6.7807 6.7807 7.1196 7.1196 7.2397 7.2397 7.6987 7.6987 8.1624 8.1624 8.4315 8.4315 8.5753 8.5753 8.7649 8.7649 8.8376 8.8376 8.9934 8.9934 9.0109 9.0109 9.1490 9.1490 9.2928 9.2928 9.3947 9.3947 9.6744 9.6744 9.7824 9.7824 9.9389 9.9389 10.7532 10.7532 12.3931 12.3931 12.5063 12.5063 14.6797 14.6797 15.8989 15.8989 16.3153 16.3153 17.1427 17.1427 17.5711 17.5711 k = 0.3750 0.2165-0.0000 ( 3964 PWs) bands (ev): -14.4151 -14.4151 0.6794 0.6794 1.4055 1.4055 1.6260 1.6260 4.0898 4.0898 5.5611 5.5611 6.0247 6.0247 6.0983 6.0983 6.2287 6.2287 6.3141 6.3141 6.3848 6.3848 6.5163 6.5163 6.6252 6.6252 6.7827 6.7827 7.1454 7.1454 7.2521 7.2521 7.7080 7.7080 8.1417 8.1417 8.4299 8.4299 8.5825 8.5825 8.7598 8.7598 8.8227 8.8227 8.9750 8.9750 8.9971 8.9971 9.1453 9.1453 9.2951 9.2951 9.3775 9.3775 9.6385 9.6385 9.7632 9.7632 9.9121 9.9121 10.7505 10.7505 12.3798 12.3798 12.4752 12.4752 14.7554 14.7554 15.9813 15.9813 16.3984 16.3984 17.1923 17.1923 17.4769 17.4769 k = 0.3906 0.2255-0.0000 ( 3964 PWs) bands (ev): -14.4151 -14.4151 0.6774 0.6774 1.4026 1.4026 1.6252 1.6252 4.1409 4.1409 5.5118 5.5118 6.0403 6.0403 6.1025 6.1025 6.2356 6.2356 6.3202 6.3202 6.3932 6.3932 6.5129 6.5129 6.6225 6.6225 6.7820 6.7820 7.1712 7.1712 7.2673 7.2673 7.7185 7.7185 8.1175 8.1175 8.4281 8.4281 8.5894 8.5894 8.7497 8.7497 8.8131 8.8131 8.9554 8.9554 8.9863 8.9863 9.1415 9.1415 9.2970 9.2970 9.3628 9.3628 9.6082 9.6082 9.7441 9.7441 9.8901 9.8901 10.7481 10.7481 12.3666 12.3666 12.4492 12.4492 14.8261 14.8261 16.0619 16.0619 16.4760 16.4760 17.2091 17.2091 17.4070 17.4070 k = 0.4062 0.2345-0.0000 ( 3964 PWs) bands (ev): -14.4150 -14.4150 0.6757 0.6757 1.4000 1.4000 1.6245 1.6245 4.1895 4.1895 5.4646 5.4646 6.0530 6.0530 6.1072 6.1072 6.2414 6.2414 6.3263 6.3263 6.4009 6.4009 6.5091 6.5091 6.6211 6.6211 6.7791 6.7791 7.1962 7.1962 7.2842 7.2842 7.7308 7.7308 8.0900 8.0900 8.4258 8.4258 8.5959 8.5959 8.7358 8.7358 8.8088 8.8088 8.9365 8.9365 8.9777 8.9777 9.1372 9.1372 9.2984 9.2984 9.3499 9.3499 9.5842 9.5842 9.7253 9.7253 9.8725 9.8725 10.7461 10.7461 12.3532 12.3532 12.4286 12.4286 14.8908 14.8908 16.1416 16.1416 16.5471 16.5471 17.1700 17.1700 17.3851 17.3851 k = 0.4219 0.2436-0.0000 ( 3968 PWs) bands (ev): -14.4149 -14.4149 0.6743 0.6743 1.3978 1.3978 1.6239 1.6239 4.2344 4.2344 5.4207 5.4207 6.0626 6.0626 6.1124 6.1124 6.2459 6.2459 6.3323 6.3323 6.4077 6.4077 6.5054 6.5054 6.6208 6.6208 6.7747 6.7747 7.2200 7.2200 7.3011 7.3011 7.7454 7.7454 8.0596 8.0596 8.4230 8.4230 8.6018 8.6018 8.7208 8.7208 8.8079 8.8079 8.9191 8.9191 8.9709 8.9709 9.1324 9.1324 9.2995 9.2995 9.3385 9.3385 9.5663 9.5663 9.7076 9.7076 9.8585 9.8585 10.7443 10.7443 12.3401 12.3401 12.4130 12.4130 14.9484 14.9484 16.2210 16.2210 16.6105 16.6105 17.0922 17.0922 17.3950 17.3950 k = 0.4375 0.2526-0.0000 ( 3968 PWs) bands (ev): -14.4149 -14.4149 0.6731 0.6731 1.3960 1.3960 1.6234 1.6234 4.2743 4.2743 5.3815 5.3815 6.0694 6.0694 6.1177 6.1177 6.2493 6.2493 6.3381 6.3381 6.4134 6.4134 6.5019 6.5019 6.6212 6.6212 6.7697 6.7697 7.2418 7.2418 7.3164 7.3164 7.7628 7.7628 8.0270 8.0270 8.4198 8.4198 8.6068 8.6068 8.7074 8.7074 8.8089 8.8089 8.9037 8.9037 8.9658 8.9658 9.1272 9.1272 9.3004 9.3004 9.3287 9.3287 9.5540 9.5540 9.6916 9.6916 9.8477 9.8477 10.7429 10.7429 12.3278 12.3278 12.4017 12.4017 14.9977 14.9977 16.3008 16.3008 16.6650 16.6650 17.0031 17.0031 17.4109 17.4109 k = 0.4531 0.2616-0.0000 ( 3960 PWs) bands (ev): -14.4149 -14.4149 0.6721 0.6721 1.3946 1.3946 1.6230 1.6230 4.3079 4.3079 5.3484 5.3484 6.0740 6.0740 6.1226 6.1226 6.2517 6.2517 6.3431 6.3431 6.4179 6.4179 6.4990 6.4990 6.6220 6.6220 6.7648 6.7648 7.2607 7.2607 7.3287 7.3287 7.7832 7.7832 7.9933 7.9933 8.4164 8.4164 8.6110 8.6110 8.6966 8.6966 8.8106 8.8106 8.8908 8.8908 8.9624 8.9624 9.1220 9.1220 9.3011 9.3011 9.3207 9.3207 9.5463 9.5463 9.6780 9.6780 9.8397 9.8397 10.7418 10.7418 12.3174 12.3174 12.3939 12.3939 15.0375 15.0375 16.3813 16.3813 16.7088 16.7088 16.9123 16.9123 17.4248 17.4248 k = 0.4688 0.2706-0.0000 ( 3948 PWs) bands (ev): -14.4148 -14.4148 0.6714 0.6714 1.3937 1.3937 1.6227 1.6227 4.3334 4.3334 5.3232 5.3232 6.0768 6.0768 6.1266 6.1266 6.2533 6.2533 6.3470 6.3470 6.4211 6.4211 6.4969 6.4969 6.6228 6.6228 6.7608 6.7608 7.2758 7.2758 7.3373 7.3373 7.8061 7.8061 7.9602 7.9602 8.4135 8.4135 8.6140 8.6140 8.6890 8.6890 8.8126 8.8126 8.8807 8.8807 8.9603 8.9603 9.1174 9.1174 9.3018 9.3018 9.3146 9.3146 9.5419 9.5419 9.6676 9.6676 9.8342 9.8342 10.7410 10.7410 12.3094 12.3094 12.3888 12.3888 15.0669 15.0669 16.4628 16.4628 16.7387 16.7387 16.8252 16.8252 17.4349 17.4349 k = 0.4844 0.2797-0.0000 ( 3952 PWs) bands (ev): -14.4148 -14.4148 0.6710 0.6710 1.3931 1.3931 1.6225 1.6225 4.3495 4.3495 5.3073 5.3073 6.0784 6.0784 6.1291 6.1291 6.2541 6.2541 6.3496 6.3496 6.4230 6.4230 6.4956 6.4956 6.6234 6.6234 6.7581 6.7581 7.2856 7.2856 7.3421 7.3421 7.8286 7.8286 7.9313 7.9313 8.4115 8.4115 8.6159 8.6159 8.6845 8.6845 8.8141 8.8141 8.8742 8.8742 8.9593 8.9593 9.1143 9.1143 9.3027 9.3027 9.3104 9.3104 9.5398 9.5398 9.6611 9.6611 9.8309 9.8309 10.7405 10.7405 12.3045 12.3045 12.3859 12.3859 15.0848 15.0848 16.5441 16.5441 16.7204 16.7204 16.7768 16.7768 17.4411 17.4411 k = 0.5000 0.2887-0.0000 ( 3952 PWs) bands (ev): -14.4148 -14.4148 0.6709 0.6709 1.3929 1.3929 1.6225 1.6225 4.3550 4.3550 5.3019 5.3019 6.0789 6.0789 6.1299 6.1299 6.2544 6.2544 6.3505 6.3505 6.4237 6.4237 6.4951 6.4951 6.6236 6.6236 6.7572 6.7572 7.2891 7.2891 7.3436 7.3436 7.8401 7.8401 7.9175 7.9175 8.4108 8.4108 8.6165 8.6165 8.6830 8.6830 8.8148 8.8148 8.8720 8.8720 8.9590 8.9590 9.1132 9.1132 9.3032 9.3032 9.3088 9.3088 9.5393 9.5393 9.6588 9.6588 9.8298 9.8298 10.7404 10.7404 12.3028 12.3028 12.3850 12.3850 15.0909 15.0909 16.6044 16.6044 16.6637 16.6637 16.7781 16.7781 17.4431 17.4431 k = 0.5000 0.2887-0.0000 ( 3952 PWs) bands (ev): -14.4148 -14.4148 0.6709 0.6709 1.3929 1.3929 1.6225 1.6225 4.3550 4.3550 5.3019 5.3019 6.0789 6.0789 6.1299 6.1299 6.2544 6.2544 6.3505 6.3505 6.4237 6.4237 6.4951 6.4951 6.6236 6.6236 6.7572 6.7572 7.2891 7.2891 7.3436 7.3436 7.8401 7.8401 7.9175 7.9175 8.4108 8.4108 8.6165 8.6165 8.6830 8.6830 8.8148 8.8148 8.8720 8.8720 8.9590 8.9590 9.1132 9.1132 9.3032 9.3032 9.3088 9.3088 9.5393 9.5393 9.6588 9.6588 9.8298 9.8298 10.7404 10.7404 12.3028 12.3028 12.3850 12.3850 15.0909 15.0909 16.6044 16.6044 16.6637 16.6637 16.7781 16.7781 17.4431 17.4431 k = 0.4912 0.3039-0.0000 ( 3958 PWs) bands (ev): -14.4148 -14.4148 0.6709 0.6709 1.3928 1.3928 1.6224 1.6224 4.3564 4.3564 5.3006 5.3006 6.0791 6.0791 6.1300 6.1300 6.2543 6.2543 6.3500 6.3500 6.4241 6.4241 6.4949 6.4949 6.6239 6.6239 6.7567 6.7567 7.2801 7.2801 7.3544 7.3544 7.8405 7.8405 7.9188 7.9188 8.4101 8.4101 8.6134 8.6134 8.6853 8.6853 8.8152 8.8152 8.8721 8.8721 8.9581 8.9581 9.1133 9.1133 9.2966 9.2966 9.3156 9.3156 9.5392 9.5392 9.6599 9.6599 9.8295 9.8295 10.7401 10.7401 12.1846 12.1846 12.5045 12.5045 15.0939 15.0939 16.5897 16.5897 16.6285 16.6285 16.8217 16.8217 17.4427 17.4427 k = 0.4825 0.3191-0.0000 ( 3954 PWs) bands (ev): -14.4148 -14.4148 0.6710 0.6710 1.3928 1.3928 1.6220 1.6220 4.3607 4.3607 5.2969 5.2969 6.0798 6.0798 6.1304 6.1304 6.2538 6.2538 6.3485 6.3485 6.4254 6.4254 6.4940 6.4940 6.6246 6.6246 6.7552 6.7552 7.2628 7.2628 7.3773 7.3773 7.8415 7.8415 7.9225 7.9225 8.4080 8.4080 8.6050 8.6050 8.6913 8.6913 8.8166 8.8166 8.8726 8.8726 8.9554 8.9554 9.1134 9.1134 9.2881 9.2881 9.3250 9.3250 9.5389 9.5389 9.6629 9.6629 9.8284 9.8284 10.7392 10.7392 12.0349 12.0349 12.6580 12.6580 15.1030 15.1030 16.5254 16.5254 16.6002 16.6002 16.8955 16.8955 17.4418 17.4418 k = 0.4737 0.3343-0.0000 ( 3956 PWs) bands (ev): -14.4148 -14.4148 0.6711 0.6711 1.3927 1.3927 1.6215 1.6215 4.3678 4.3678 5.2906 5.2906 6.0808 6.0808 6.1311 6.1311 6.2532 6.2532 6.3462 6.3462 6.4274 6.4274 6.4926 6.4926 6.6257 6.6257 6.7527 6.7527 7.2444 7.2444 7.4047 7.4047 7.8433 7.8433 7.9285 7.9285 8.4046 8.4046 8.5926 8.5926 8.6994 8.6994 8.8184 8.8184 8.8735 8.8735 8.9514 8.9514 9.1134 9.1134 9.2797 9.2797 9.3349 9.3349 9.5386 9.5386 9.6679 9.6679 9.8266 9.8266 10.7378 10.7378 11.8855 11.8855 12.8139 12.8139 15.1180 15.1180 16.4418 16.4418 16.5757 16.5757 16.9719 16.9719 17.4419 17.4419 k = 0.4649 0.3494-0.0000 ( 3968 PWs) bands (ev): -14.4148 -14.4148 0.6712 0.6712 1.3926 1.3926 1.6208 1.6208 4.3777 4.3777 5.2818 5.2818 6.0821 6.0821 6.1321 6.1321 6.2523 6.2523 6.3433 6.3433 6.4299 6.4299 6.4907 6.4907 6.6274 6.6274 6.7493 6.7493 7.2270 7.2270 7.4347 7.4347 7.8461 7.8461 7.9363 7.9363 8.4003 8.4003 8.5775 8.5775 8.7086 8.7086 8.8201 8.8201 8.8752 8.8752 8.9468 8.9468 9.1130 9.1130 9.2713 9.2713 9.3451 9.3451 9.5385 9.5385 9.6747 9.6747 9.8242 9.8242 10.7359 10.7359 11.7381 11.7381 12.9705 12.9705 15.1390 15.1390 16.3545 16.3545 16.5442 16.5442 17.0465 17.0465 17.4444 17.4444 k = 0.4561 0.3646-0.0000 ( 3966 PWs) bands (ev): -14.4148 -14.4148 0.6713 0.6713 1.3925 1.3925 1.6199 1.6199 4.3905 4.3905 5.2704 5.2704 6.0835 6.0835 6.1337 6.1337 6.2514 6.2514 6.3398 6.3398 6.4329 6.4329 6.4883 6.4883 6.6295 6.6295 6.7450 6.7450 7.2112 7.2112 7.4666 7.4666 7.8500 7.8500 7.9456 7.9456 8.3953 8.3953 8.5600 8.5600 8.7182 8.7182 8.8208 8.8208 8.8779 8.8779 8.9422 8.9422 9.1119 9.1119 9.2628 9.2628 9.3558 9.3558 9.5385 9.5385 9.6831 9.6831 9.8212 9.8212 10.7336 10.7336 11.5932 11.5932 13.1273 13.1273 15.1657 15.1657 16.2658 16.2658 16.5051 16.5051 17.1172 17.1172 17.4508 17.4508 k = 0.4474 0.3798-0.0000 ( 3962 PWs) bands (ev): -14.4148 -14.4148 0.6715 0.6715 1.3923 1.3923 1.6188 1.6188 4.4060 4.4060 5.2565 5.2565 6.0847 6.0847 6.1360 6.1360 6.2504 6.2504 6.3361 6.3361 6.4361 6.4361 6.4855 6.4855 6.6320 6.6320 6.7400 6.7400 7.1970 7.1970 7.5000 7.5000 7.8551 7.8551 7.9560 7.9560 8.3899 8.3899 8.5406 8.5406 8.7274 8.7274 8.8203 8.8203 8.8819 8.8819 8.9386 8.9386 9.1100 9.1100 9.2542 9.2542 9.3669 9.3669 9.5389 9.5389 9.6930 9.6930 9.8177 9.8177 10.7309 10.7309 11.4516 11.4516 13.2839 13.2839 15.1979 15.1979 16.1768 16.1768 16.4589 16.4589 17.1809 17.1809 17.4375 17.4375 k = 0.4386 0.3950-0.0000 ( 3962 PWs) bands (ev): -14.4148 -14.4148 0.6717 0.6717 1.3921 1.3921 1.6176 1.6176 4.4243 4.4243 5.2399 5.2399 6.0856 6.0856 6.1390 6.1390 6.2495 6.2495 6.3321 6.3321 6.4394 6.4394 6.4823 6.4823 6.6349 6.6349 6.7341 6.7341 7.1847 7.1847 7.5347 7.5347 7.8612 7.8612 7.9669 7.9669 8.3844 8.3844 8.5196 8.5196 8.7353 8.7353 8.8186 8.8186 8.8869 8.8869 8.9368 8.9368 9.1071 9.1071 9.2452 9.2452 9.3786 9.3786 9.5397 9.5397 9.7040 9.7040 9.8139 9.8139 10.7278 10.7278 11.3136 11.3136 13.4398 13.4398 15.2353 15.2353 16.0880 16.0880 16.4068 16.4068 17.2268 17.2268 17.3815 17.3815 k = 0.4298 0.4102-0.0000 ( 3966 PWs) bands (ev): -14.4147 -14.4147 0.6719 0.6719 1.3918 1.3918 1.6164 1.6164 4.4452 4.4452 5.2207 5.2207 6.0860 6.0860 6.1430 6.1430 6.2487 6.2487 6.3280 6.3280 6.4428 6.4428 6.4788 6.4788 6.6382 6.6382 6.7277 6.7277 7.1741 7.1741 7.5703 7.5703 7.8684 7.8684 7.9780 7.9780 8.3792 8.3792 8.4972 8.4972 8.7408 8.7408 8.8168 8.8168 8.8923 8.8923 8.9374 8.9374 9.1030 9.1030 9.2356 9.2356 9.3909 9.3909 9.5409 9.5409 9.7160 9.7160 9.8098 9.8098 10.7246 10.7246 11.1799 11.1799 13.5949 13.5949 15.2776 15.2776 16.0000 16.0000 16.3500 16.3500 17.2158 17.2158 17.3714 17.3714 k = 0.4211 0.4254-0.0000 ( 3956 PWs) bands (ev): -14.4147 -14.4147 0.6721 0.6721 1.3916 1.3916 1.6151 1.6151 4.4688 4.4688 5.1989 5.1989 6.0860 6.0860 6.1479 6.1479 6.2480 6.2480 6.3240 6.3240 6.4462 6.4462 6.4752 6.4752 6.6418 6.6418 6.7208 6.7208 7.1654 7.1654 7.6066 7.6066 7.8763 7.8763 7.9890 7.9890 8.3745 8.3745 8.4739 8.4739 8.7422 8.7422 8.8168 8.8168 8.8975 8.8975 8.9408 8.9408 9.0977 9.0977 9.2254 9.2254 9.4039 9.4039 9.5424 9.5424 9.7288 9.7288 9.8057 9.8057 10.7212 10.7212 11.0512 11.0512 13.7487 13.7487 15.3240 15.3240 15.9132 15.9132 16.2899 16.2899 17.1478 17.1478 17.4100 17.4100 k = 0.4123 0.4406-0.0000 ( 3966 PWs) bands (ev): -14.4147 -14.4147 0.6722 0.6722 1.3913 1.3913 1.6138 1.6138 4.4949 4.4949 5.1744 5.1744 6.0855 6.0855 6.1536 6.1536 6.2474 6.2474 6.3201 6.3201 6.4494 6.4494 6.4715 6.4715 6.6455 6.6455 6.7135 6.7135 7.1584 7.1584 7.6434 7.6434 7.8848 7.8848 7.9993 7.9993 8.3705 8.3705 8.4501 8.4501 8.7386 8.7386 8.8197 8.8197 8.9021 8.9021 8.9470 8.9470 9.0914 9.0914 9.2143 9.2143 9.4178 9.4178 9.5443 9.5443 9.7416 9.7416 9.8022 9.8022 10.7177 10.7177 10.9281 10.9281 13.9010 13.9010 15.3735 15.3735 15.8285 15.8285 16.2282 16.2282 17.0622 17.0622 17.4593 17.4593 k = 0.4035 0.4558-0.0000 ( 3974 PWs) bands (ev): -14.4147 -14.4147 0.6724 0.6724 1.3910 1.3910 1.6125 1.6125 4.5236 4.5236 5.1473 5.1473 6.0846 6.0846 6.1600 6.1600 6.2468 6.2468 6.3165 6.3165 6.4525 6.4525 6.4680 6.4680 6.6493 6.6493 6.7061 6.7061 7.1531 7.1531 7.6802 7.6802 7.8934 7.8934 8.0087 8.0087 8.3672 8.3672 8.4263 8.4263 8.7305 8.7305 8.8256 8.8256 8.9064 8.9064 8.9552 8.9552 9.0843 9.0843 9.2024 9.2024 9.4323 9.4323 9.5463 9.5463 9.7534 9.7534 9.8003 9.8003 10.7139 10.7139 10.8119 10.8119 14.0512 14.0512 15.4238 15.4238 15.7477 15.7477 16.1666 16.1666 16.9707 16.9707 17.5091 17.5091 k = 0.3947 0.4710-0.0000 ( 3970 PWs) bands (ev): -14.4147 -14.4147 0.6725 0.6725 1.3907 1.3907 1.6113 1.6113 4.5547 4.5547 5.1177 5.1177 6.0836 6.0836 6.1668 6.1668 6.2461 6.2461 6.3131 6.3131 6.4553 6.4553 6.4646 6.4646 6.6530 6.6530 6.6987 6.6987 7.1493 7.1493 7.7167 7.7167 7.9017 7.9017 8.0169 8.0169 8.3642 8.3642 8.4038 8.4038 8.7193 8.7193 8.8334 8.8334 8.9105 8.9105 8.9645 8.9645 9.0767 9.0767 9.1894 9.1894 9.4473 9.4473 9.5485 9.5485 9.7621 9.7621 9.8021 9.8021 10.6956 10.6956 10.7178 10.7178 14.1991 14.1991 15.4682 15.4682 15.6762 15.6762 16.1070 16.1070 16.8763 16.8763 17.5575 17.5575 k = 0.3860 0.4862-0.0000 ( 3966 PWs) bands (ev): -14.4146 -14.4146 0.6726 0.6726 1.3904 1.3904 1.6101 1.6101 4.5881 4.5881 5.0855 5.0855 6.0825 6.0825 6.1739 6.1739 6.2453 6.2453 6.3101 6.3101 6.4579 6.4579 6.4615 6.4615 6.6565 6.6565 6.6916 6.6916 7.1470 7.1470 7.7524 7.7524 7.9093 7.9093 8.0237 8.0237 8.3588 8.3588 8.3855 8.3855 8.7065 8.7065 8.8421 8.8421 8.9150 8.9150 8.9738 8.9738 9.0691 9.0691 9.1756 9.1756 9.4626 9.4626 9.5509 9.5509 9.7656 9.7656 9.8092 9.8092 10.6002 10.6002 10.7098 10.7098 14.3440 14.3440 15.4835 15.4835 15.6354 15.6354 16.0526 16.0526 16.7805 16.7805 17.6038 17.6038 k = 0.3772 0.5014-0.0000 ( 3965 PWs) bands (ev): -14.4146 -14.4146 0.6727 0.6727 1.3901 1.3901 1.6091 1.6091 4.6237 4.6237 5.0510 5.0510 6.0815 6.0815 6.1809 6.1809 6.2445 6.2445 6.3076 6.3076 6.4589 6.4589 6.4601 6.4601 6.6597 6.6597 6.6849 6.6849 7.1459 7.1459 7.7867 7.7867 7.9154 7.9154 8.0289 8.0289 8.3464 8.3464 8.3768 8.3768 8.6933 8.6933 8.8508 8.8508 8.9199 8.9199 8.9819 8.9819 9.0626 9.0626 9.1611 9.1611 9.4775 9.4775 9.5533 9.5533 9.7652 9.7652 9.8202 9.8202 10.5102 10.5102 10.7068 10.7068 14.4852 14.4852 15.4430 15.4430 15.6474 15.6474 16.0085 16.0085 16.6844 16.6844 17.6474 17.6474 k = 0.3684 0.5166-0.0000 ( 3961 PWs) bands (ev): -14.4146 -14.4146 0.6727 0.6727 1.3898 1.3898 1.6083 1.6083 4.6613 4.6613 5.0142 5.0142 6.0807 6.0807 6.1874 6.1874 6.2436 6.2436 6.3054 6.3054 6.4567 6.4567 6.4620 6.4620 6.6625 6.6625 6.6789 6.6789 7.1458 7.1458 7.8188 7.8188 7.9198 7.9198 8.0325 8.0325 8.3298 8.3298 8.3752 8.3752 8.6806 8.6806 8.8589 8.8589 8.9255 8.9255 8.9872 8.9872 9.0586 9.0586 9.1462 9.1462 9.4913 9.4913 9.5558 9.5558 9.7633 9.7633 9.8319 9.8319 10.4321 10.4321 10.7045 10.7045 14.6215 14.6215 15.3756 15.3756 15.6753 15.6753 15.9838 15.9838 16.5890 16.5890 17.6878 17.6878 k = 0.3596 0.5318-0.0000 ( 3965 PWs) bands (ev): -14.4146 -14.4146 0.6727 0.6727 1.3895 1.3895 1.6076 1.6076 4.7006 4.7006 4.9755 4.9755 6.0800 6.0800 6.1931 6.1931 6.2427 6.2427 6.3037 6.3037 6.4551 6.4551 6.4635 6.4635 6.6647 6.6647 6.6739 6.6739 7.1465 7.1465 7.8476 7.8476 7.9221 7.9221 8.0347 8.0347 8.3145 8.3145 8.3756 8.3756 8.6694 8.6694 8.8659 8.8659 8.9316 8.9316 8.9886 8.9886 9.0582 9.0582 9.1315 9.1315 9.5032 9.5032 9.5584 9.5584 9.7613 9.7613 9.8422 9.8422 10.3683 10.3683 10.7026 10.7026 14.7511 14.7511 15.3022 15.3022 15.6882 15.6882 15.9897 15.9897 16.4954 16.4954 17.7246 17.7246 k = 0.3509 0.5470-0.0000 ( 3965 PWs) bands (ev): -14.4146 -14.4146 0.6727 0.6727 1.3893 1.3893 1.6071 1.6071 4.7410 4.7410 4.9355 4.9355 6.0797 6.0797 6.1975 6.1975 6.2421 6.2421 6.3025 6.3025 6.4540 6.4540 6.4646 6.4646 6.6662 6.6662 6.6700 6.6700 7.1475 7.1475 7.8717 7.8717 7.9221 7.9221 8.0357 8.0357 8.3026 8.3026 8.3764 8.3764 8.6608 8.6608 8.8713 8.8713 8.9381 8.9381 8.9860 8.9860 9.0615 9.0615 9.1180 9.1180 9.5123 9.5123 9.5609 9.5609 9.7599 9.7599 9.8495 9.8495 10.3213 10.3213 10.7013 10.7013 14.8706 14.8706 15.2288 15.2288 15.6811 15.6811 16.0263 16.0263 16.4063 16.4063 17.7569 17.7569 k = 0.3421 0.5622-0.0000 ( 3969 PWs) bands (ev): -14.4146 -14.4146 0.6727 0.6727 1.3892 1.3892 1.6068 1.6068 4.7799 4.7799 4.8968 4.8968 6.0795 6.0795 6.2002 6.2002 6.2418 6.2418 6.3017 6.3017 6.4534 6.4534 6.4652 6.4652 6.6668 6.6668 6.6679 6.6679 7.1484 7.1484 7.8889 7.8889 7.9204 7.9204 8.0358 8.0358 8.2951 8.2951 8.3769 8.3769 8.6553 8.6553 8.8747 8.8747 8.9438 8.9438 8.9817 8.9817 9.0662 9.0662 9.1075 9.1075 9.5180 9.5180 9.5627 9.5627 9.7594 9.7594 9.8529 9.8529 10.2930 10.2930 10.7005 10.7005 14.9724 14.9724 15.1598 15.1598 15.6665 15.6665 16.0771 16.0771 16.3290 16.3290 17.7827 17.7827 k = 0.3333 0.5774-0.0000 ( 3975 PWs) bands (ev): -14.4146 -14.4146 0.6727 0.6727 1.3891 1.3891 1.6067 1.6067 4.8026 4.8026 4.8742 4.8742 6.0794 6.0794 6.2011 6.2011 6.2417 6.2417 6.3014 6.3014 6.4533 6.4533 6.4654 6.4654 6.6664 6.6664 6.6677 6.6677 7.1488 7.1488 7.8954 7.8954 7.9193 7.9193 8.0358 8.0358 8.2926 8.2926 8.3769 8.3769 8.6534 8.6534 8.8759 8.8759 8.9465 8.9465 8.9793 8.9793 9.0685 9.0685 9.1033 9.1033 9.5199 9.5199 9.5633 9.5633 9.7594 9.7594 9.8535 9.8535 10.2838 10.2838 10.7002 10.7002 15.0254 15.0254 15.1197 15.1197 15.6590 15.6590 16.1067 16.1067 16.2914 16.2914 17.7946 17.7946 k = 0.3333 0.5774-0.0000 ( 3975 PWs) bands (ev): -14.4146 -14.4146 0.6727 0.6727 1.3891 1.3891 1.6067 1.6067 4.8026 4.8026 4.8742 4.8742 6.0794 6.0794 6.2011 6.2011 6.2417 6.2417 6.3014 6.3014 6.4533 6.4533 6.4654 6.4654 6.6664 6.6664 6.6677 6.6677 7.1488 7.1488 7.8954 7.8954 7.9193 7.9193 8.0358 8.0358 8.2926 8.2926 8.3769 8.3769 8.6534 8.6534 8.8759 8.8759 8.9465 8.9465 8.9793 8.9793 9.0685 9.0685 9.1033 9.1033 9.5199 9.5199 9.5633 9.5633 9.7594 9.7594 9.8535 9.8535 10.2838 10.2838 10.7002 10.7002 15.0254 15.0254 15.1197 15.1197 15.6590 15.6590 16.1067 16.1067 16.2914 16.2914 17.7946 17.7946 k = 0.3243 0.5617-0.0000 ( 3975 PWs) bands (ev): -14.4146 -14.4146 0.6727 0.6727 1.3892 1.3892 1.6068 1.6068 4.7775 4.7775 4.8993 4.8993 6.0794 6.0794 6.2003 6.2003 6.2416 6.2416 6.3017 6.3017 6.4534 6.4534 6.4652 6.4652 6.6666 6.6666 6.6682 6.6682 7.1482 7.1482 7.8895 7.8895 7.9194 7.9194 8.0359 8.0359 8.2952 8.2952 8.3771 8.3771 8.6553 8.6553 8.8747 8.8747 8.9434 8.9434 8.9823 8.9823 9.0666 9.0666 9.1073 9.1073 9.5177 9.5177 9.5628 9.5628 9.7590 9.7590 9.8540 9.8540 10.2926 10.2926 10.7005 10.7005 14.9823 14.9823 15.1464 15.1464 15.6688 15.6688 16.0760 16.0760 16.3315 16.3315 17.7767 17.7767 k = 0.3153 0.5461-0.0000 ( 3969 PWs) bands (ev): -14.4146 -14.4146 0.6728 0.6728 1.3894 1.3894 1.6071 1.6071 4.7318 4.7318 4.9447 4.9447 6.0793 6.0793 6.1979 6.1979 6.2411 6.2411 6.3024 6.3024 6.4536 6.4536 6.4648 6.4648 6.6657 6.6657 6.6711 6.6711 7.1460 7.1460 7.8753 7.8753 7.9163 7.9163 8.0362 8.0362 8.3025 8.3025 8.3782 8.3782 8.6607 8.6607 8.8714 8.8714 8.9362 8.9362 8.9894 8.9894 9.0639 9.0639 9.1162 9.1162 9.5110 9.5110 9.5618 9.5618 9.7575 9.7575 9.8577 9.8577 10.3172 10.3172 10.7014 10.7014 14.9138 14.9138 15.1645 15.1645 15.6912 15.6912 16.0293 16.0293 16.4149 16.4149 17.7283 17.7283 k = 0.3063 0.5305-0.0000 ( 3965 PWs) bands (ev): -14.4146 -14.4146 0.6729 0.6729 1.3897 1.3897 1.6076 1.6076 4.6812 4.6812 4.9951 4.9951 6.0788 6.0788 6.1944 6.1944 6.2399 6.2399 6.3034 6.3034 6.4534 6.4534 6.4646 6.4646 6.6640 6.6640 6.6763 6.6763 7.1417 7.1417 7.8553 7.8553 7.9082 7.9082 8.0372 8.0372 8.3134 8.3134 8.3812 8.3812 8.6689 8.6689 8.8662 8.8662 8.9279 8.9279 8.9983 8.9983 9.0632 9.0632 9.1273 9.1273 9.4999 9.4999 9.5612 9.5612 9.7550 9.7550 9.8660 9.8660 10.3543 10.3543 10.7030 10.7030 14.8428 14.8428 15.1570 15.1570 15.6957 15.6957 16.0193 16.0193 16.5131 16.5131 17.6642 17.6642 k = 0.2973 0.5149-0.0000 ( 3963 PWs) bands (ev): -14.4146 -14.4146 0.6731 0.6731 1.3903 1.3903 1.6083 1.6083 4.6281 4.6281 5.0478 5.0478 6.0778 6.0778 6.1901 6.1901 6.2379 6.2379 6.3045 6.3045 6.4522 6.4522 6.4653 6.4653 6.6618 6.6618 6.6835 6.6835 7.1350 7.1350 7.8302 7.8302 7.8951 7.8951 8.0399 8.0399 8.3261 8.3261 8.3870 8.3870 8.6791 8.6791 8.8596 8.8596 8.9205 8.9205 9.0075 9.0075 9.0654 9.0654 9.1394 9.1394 9.4857 9.4857 9.5615 9.5615 9.7524 9.7524 9.8788 9.8788 10.4015 10.4015 10.7053 10.7053 14.7719 14.7719 15.1319 15.1319 15.6556 15.6556 16.0695 16.0695 16.6187 16.6187 17.5934 17.5934 k = 0.2883 0.4993-0.0000 ( 3957 PWs) bands (ev): -14.4146 -14.4146 0.6734 0.6734 1.3910 1.3910 1.6092 1.6092 4.5734 4.5734 5.1022 5.1022 6.0758 6.0758 6.1850 6.1850 6.2351 6.2351 6.3054 6.3054 6.4495 6.4495 6.4673 6.4673 6.6592 6.6592 6.6926 6.6926 7.1257 7.1257 7.8002 7.8002 7.8777 7.8777 8.0457 8.0457 8.3387 8.3387 8.3965 8.3965 8.6905 8.6905 8.8516 8.8516 8.9157 8.9157 9.0165 9.0165 9.0702 9.0702 9.1520 9.1520 9.4699 9.4699 9.5628 9.5628 9.7507 9.7507 9.8950 9.8950 10.4567 10.4567 10.7084 10.7084 14.7017 14.7017 15.0969 15.0969 15.5844 15.5844 16.1602 16.1602 16.7290 16.7290 17.5205 17.5205 k = 0.2793 0.4837-0.0000 ( 3961 PWs) bands (ev): -14.4147 -14.4147 0.6738 0.6738 1.3920 1.3920 1.6103 1.6103 4.5174 4.5174 5.1579 5.1579 6.0727 6.0727 6.1794 6.1794 6.2316 6.2316 6.3060 6.3060 6.4456 6.4456 6.4704 6.4704 6.6563 6.6563 6.7032 6.7032 7.1139 7.1139 7.7653 7.7653 7.8575 7.8575 8.0552 8.0552 8.3497 8.3497 8.4096 8.4096 8.7025 8.7025 8.8426 8.8426 8.9146 8.9146 9.0249 9.0249 9.0773 9.0773 9.1649 9.1649 9.4538 9.4538 9.5654 9.5654 9.7505 9.7505 9.9137 9.9137 10.5181 10.5181 10.7130 10.7130 14.6324 14.6324 15.0566 15.0566 15.4997 15.4997 16.2697 16.2697 16.8427 16.8427 17.4478 17.4478 k = 0.2703 0.4681-0.0000 ( 3965 PWs) bands (ev): -14.4147 -14.4147 0.6743 0.6743 1.3932 1.3932 1.6114 1.6114 4.4603 4.4603 5.2146 5.2146 6.0680 6.0680 6.1734 6.1734 6.2275 6.2275 6.3061 6.3061 6.4406 6.4406 6.4746 6.4746 6.6533 6.6533 6.7149 6.7149 7.0997 7.0997 7.7260 7.7260 7.8360 7.8360 8.0683 8.0683 8.3587 8.3587 8.4256 8.4256 8.7144 8.7144 8.8331 8.8331 8.9174 8.9174 9.0327 9.0327 9.0860 9.0860 9.1780 9.1780 9.4385 9.4385 9.5696 9.5696 9.7520 9.7520 9.9344 9.9344 10.5832 10.5832 10.7205 10.7205 14.5641 14.5641 15.0139 15.0139 15.4091 15.4091 16.3874 16.3874 16.9588 16.9588 17.3771 17.3771 k = 0.2613 0.4525-0.0000 ( 3971 PWs) bands (ev): -14.4148 -14.4148 0.6750 0.6750 1.3946 1.3946 1.6127 1.6127 4.4024 4.4024 5.2721 5.2721 6.0615 6.0615 6.1671 6.1671 6.2230 6.2230 6.3059 6.3059 6.4346 6.4346 6.4797 6.4797 6.6504 6.6504 6.7273 6.7273 7.0836 7.0836 7.6830 7.6830 7.8145 7.8145 8.0844 8.0844 8.3662 8.3662 8.4430 8.4430 8.7256 8.7256 8.8242 8.8242 8.9241 8.9241 9.0396 9.0396 9.0959 9.0959 9.1911 9.1911 9.4248 9.4248 9.5758 9.5758 9.7552 9.7552 9.9566 9.9566 10.6452 10.6452 10.7368 10.7368 14.4967 14.4967 14.9702 14.9702 15.3157 15.3157 16.5077 16.5077 17.0762 17.0762 17.3103 17.3103 k = 0.2523 0.4369-0.0000 ( 3973 PWs) bands (ev): -14.4148 -14.4148 0.6759 0.6759 1.3964 1.3964 1.6141 1.6141 4.3440 4.3440 5.3303 5.3303 6.0529 6.0529 6.1605 6.1605 6.2181 6.2181 6.3051 6.3051 6.4277 6.4277 6.4855 6.4855 6.6477 6.6477 6.7396 6.7396 7.0664 7.0664 7.6375 7.6375 7.7939 7.7939 8.1026 8.1026 8.3726 8.3726 8.4608 8.4608 8.7354 8.7354 8.8171 8.8171 8.9339 8.9339 9.0457 9.0457 9.1065 9.1065 9.2038 9.2038 9.4134 9.4134 9.5847 9.5847 9.7600 9.7600 9.9802 9.9802 10.6859 10.6859 10.7796 10.7796 14.4301 14.4301 14.9265 14.9265 15.2209 15.2209 16.6262 16.6262 17.1904 17.1904 17.2531 17.2531 k = 0.2432 0.4213-0.0000 ( 3973 PWs) bands (ev): -14.4149 -14.4149 0.6770 0.6770 1.3984 1.3984 1.6156 1.6156 4.2852 4.2852 5.3888 5.3888 6.0418 6.0418 6.1539 6.1539 6.2128 6.2128 6.3040 6.3040 6.4200 6.4200 6.4917 6.4917 6.6455 6.6455 6.7513 6.7513 7.0488 7.0488 7.5906 7.5906 7.7744 7.7744 8.1219 8.1219 8.3785 8.3785 8.4780 8.4780 8.7426 8.7426 8.8134 8.8134 8.9464 8.9464 9.0508 9.0508 9.1177 9.1177 9.2160 9.2160 9.4049 9.4049 9.5970 9.5970 9.7662 9.7662 10.0052 10.0052 10.7026 10.7026 10.8512 10.8512 14.3644 14.3644 14.8833 14.8833 15.1255 15.1255 16.7355 16.7355 17.1969 17.1969 17.3136 17.3136 k = 0.2342 0.4057-0.0000 ( 3977 PWs) bands (ev): -14.4149 -14.4149 0.6782 0.6782 1.4008 1.4008 1.6172 1.6172 4.2262 4.2262 5.4476 5.4476 6.0283 6.0283 6.1471 6.1471 6.2072 6.2072 6.3025 6.3025 6.4116 6.4116 6.4982 6.4982 6.6440 6.6440 6.7613 6.7613 7.0319 7.0319 7.5436 7.5436 7.7564 7.7564 8.1411 8.1411 8.3841 8.3841 8.4940 8.4940 8.7466 8.7466 8.8147 8.8147 8.9608 8.9608 9.0549 9.0549 9.1289 9.1289 9.2271 9.2271 9.3999 9.3999 9.6132 9.6132 9.7737 9.7737 10.0316 10.0316 10.7111 10.7111 10.9350 10.9350 14.2994 14.2994 14.8409 14.8409 15.0299 15.0299 16.8194 16.8194 17.1769 17.1769 17.4191 17.4191 k = 0.2252 0.3901-0.0000 ( 3971 PWs) bands (ev): -14.4150 -14.4150 0.6797 0.6797 1.4035 1.4035 1.6188 1.6188 4.1671 4.1671 5.5063 5.5063 6.0123 6.0123 6.1403 6.1403 6.2014 6.2014 6.3006 6.3006 6.4026 6.4026 6.5046 6.5046 6.6435 6.6435 6.7686 6.7686 7.0167 7.0167 7.4976 7.4976 7.7398 7.7398 8.1593 8.1593 8.3898 8.3898 8.5081 8.5081 8.7476 8.7476 8.8209 8.8209 8.9765 8.9765 9.0581 9.0581 9.1400 9.1400 9.2368 9.2368 9.3989 9.3989 9.6340 9.6340 9.7821 9.7821 10.0594 10.0594 10.7173 10.7173 11.0248 11.0248 14.2353 14.2353 14.7994 14.7994 14.9345 14.9345 16.8528 16.8528 17.2068 17.2068 17.4976 17.4976 k = 0.2162 0.3745-0.0000 ( 3975 PWs) bands (ev): -14.4151 -14.4151 0.6814 0.6814 1.4065 1.4065 1.6205 1.6205 4.1083 4.1083 5.5648 5.5648 5.9938 5.9938 6.1335 6.1335 6.1954 6.1954 6.2984 6.2984 6.3931 6.3931 6.5103 6.5103 6.6442 6.6442 6.7723 6.7723 7.0044 7.0044 7.4537 7.4537 7.7246 7.7246 8.1755 8.1755 8.3956 8.3956 8.5200 8.5200 8.7472 8.7472 8.8309 8.8309 8.9930 8.9930 9.0603 9.0603 9.1506 9.1506 9.2448 9.2448 9.4025 9.4025 9.6599 9.6599 9.7913 9.7913 10.0888 10.0888 10.7227 10.7227 11.1188 11.1188 14.1718 14.1718 14.7582 14.7582 14.8400 14.8400 16.8350 16.8350 17.2827 17.2827 17.5054 17.5054 k = 0.2072 0.3589-0.0000 ( 3971 PWs) bands (ev): -14.4152 -14.4152 0.6833 0.6833 1.4098 1.4098 1.6222 1.6222 4.0498 4.0498 5.6229 5.6229 5.9729 5.9729 6.1265 6.1265 6.1892 6.1892 6.2959 6.2959 6.3832 6.3832 6.5150 6.5150 6.6464 6.6464 6.7716 6.7716 6.9953 6.9953 7.4130 7.4130 7.7109 7.7109 8.1893 8.1893 8.4017 8.4017 8.5290 8.5290 8.7469 8.7469 8.8434 8.8434 9.0099 9.0099 9.0619 9.0619 9.1605 9.1605 9.2512 9.2512 9.4113 9.4113 9.6910 9.6910 9.8011 9.8011 10.1198 10.1198 10.7277 10.7277 11.2160 11.2160 14.1092 14.1092 14.7132 14.7132 14.7509 14.7509 16.7904 16.7904 17.3364 17.3364 17.4747 17.4747 k = 0.1982 0.3433-0.0000 ( 3971 PWs) bands (ev): -14.4152 -14.4152 0.6854 0.6854 1.4135 1.4135 1.6239 1.6239 3.9918 3.9918 5.6802 5.6802 5.9500 5.9500 6.1194 6.1194 6.1829 6.1829 6.2929 6.2929 6.3731 6.3731 6.5182 6.5182 6.6502 6.6502 6.7665 6.7665 6.9895 6.9895 7.3766 7.3766 7.6986 7.6986 8.2003 8.2003 8.4079 8.4079 8.5348 8.5348 8.7474 8.7474 8.8576 8.8576 9.0270 9.0270 9.0628 9.0628 9.1692 9.1692 9.2559 9.2559 9.4256 9.4256 9.7274 9.7274 9.8114 9.8114 10.1525 10.1525 10.7326 10.7326 11.3158 11.3158 14.0473 14.0473 14.6395 14.6395 14.6922 14.6922 16.7341 16.7341 17.2437 17.2437 17.5554 17.5554 k = 0.1892 0.3277-0.0000 ( 3969 PWs) bands (ev): -14.4153 -14.4153 0.6877 0.6877 1.4175 1.4175 1.6257 1.6257 3.9346 3.9346 5.7364 5.7364 5.9252 5.9252 6.1121 6.1121 6.1766 6.1766 6.2896 6.2896 6.3631 6.3631 6.5192 6.5192 6.6558 6.6558 6.7580 6.7580 6.9856 6.9856 7.3455 7.3455 7.6875 7.6875 8.2086 8.2086 8.4142 8.4142 8.5376 8.5376 8.7486 8.7486 8.8728 8.8728 9.0439 9.0439 9.0633 9.0633 9.1768 9.1768 9.2595 9.2595 9.4457 9.4457 9.7687 9.7687 9.8221 9.8221 10.1872 10.1872 10.7376 10.7376 11.4179 11.4179 13.9862 13.9862 14.5478 14.5478 14.6531 14.6531 16.6709 16.6709 17.0968 17.0968 17.6748 17.6748 k = 0.1802 0.3121-0.0000 ( 3967 PWs) bands (ev): -14.4154 -14.4154 0.6902 0.6902 1.4218 1.4218 1.6275 1.6275 3.8782 3.8782 5.7911 5.7911 5.8990 5.8990 6.1047 6.1047 6.1702 6.1702 6.2859 6.2859 6.3532 6.3532 6.5178 6.5178 6.6632 6.6632 6.7473 6.7473 6.9822 6.9822 7.3208 7.3208 7.6776 7.6776 8.2145 8.2145 8.4202 8.4202 8.5377 8.5377 8.7501 8.7501 8.8884 8.8884 9.0602 9.0602 9.0638 9.0638 9.1832 9.1832 9.2621 9.2621 9.4715 9.4715 9.8138 9.8138 9.8338 9.8338 10.2237 10.2237 10.7425 10.7425 11.5217 11.5217 13.9261 13.9261 14.4546 14.4546 14.6175 14.6175 16.6006 16.6006 16.9390 16.9390 17.7999 17.7999 k = 0.1712 0.2965-0.0000 ( 3967 PWs) bands (ev): -14.4155 -14.4155 0.6928 0.6928 1.4264 1.4264 1.6292 1.6292 3.8230 3.8230 5.8423 5.8423 5.8733 5.8733 6.0972 6.0972 6.1639 6.1639 6.2818 6.2818 6.3438 6.3438 6.5135 6.5135 6.6721 6.6721 6.7360 6.7360 6.9775 6.9775 7.3031 7.3031 7.6688 7.6688 8.2184 8.2184 8.4259 8.4259 8.5356 8.5356 8.7512 8.7512 8.9037 8.9037 9.0631 9.0631 9.0772 9.0772 9.1886 9.1886 9.2643 9.2643 9.5028 9.5028 9.8412 9.8412 9.8675 9.8675 10.2622 10.2622 10.7476 10.7476 11.6268 11.6268 13.8670 13.8670 14.3616 14.3616 14.5837 14.5837 16.5184 16.5184 16.7854 16.7854 17.9251 17.9251 k = 0.1622 0.2809-0.0000 ( 3967 PWs) bands (ev): -14.4156 -14.4156 0.6955 0.6955 1.4313 1.4313 1.6310 1.6310 3.7690 3.7690 5.8402 5.8402 5.8976 5.8976 6.0896 6.0896 6.1576 6.1576 6.2774 6.2774 6.3352 6.3352 6.5064 6.5064 6.6824 6.6824 6.7253 6.7253 6.9705 6.9705 7.2926 7.2926 7.6610 7.6610 8.2206 8.2206 8.4312 8.4312 8.5319 8.5319 8.7516 8.7516 8.9181 8.9181 9.0628 9.0628 9.0930 9.0930 9.1930 9.1930 9.2662 9.2662 9.5390 9.5390 9.8525 9.8525 9.9213 9.9213 10.3027 10.3027 10.7528 10.7528 11.7328 11.7328 13.8091 13.8091 14.2693 14.2693 14.5511 14.5511 16.4136 16.4136 16.6514 16.6514 18.0479 18.0479 k = 0.1532 0.2653-0.0000 ( 3955 PWs) bands (ev): -14.4157 -14.4157 0.6984 0.6984 1.4364 1.4364 1.6328 1.6328 3.7164 3.7164 5.8116 5.8116 5.9448 5.9448 6.0823 6.0823 6.1514 6.1514 6.2729 6.2729 6.3275 6.3275 6.4963 6.4963 6.6937 6.6937 6.7163 6.7163 6.9610 6.9610 7.2887 7.2887 7.6541 7.6541 8.2215 8.2215 8.4359 8.4359 8.5270 8.5270 8.7511 8.7511 8.9313 8.9313 9.0623 9.0623 9.1083 9.1083 9.1969 9.1969 9.2679 9.2679 9.5796 9.5796 9.8629 9.8629 9.9793 9.9793 10.3453 10.3453 10.7581 10.7581 11.8392 11.8392 13.7526 13.7526 14.1780 14.1780 14.5196 14.5196 16.2793 16.2793 16.5468 16.5468 18.1661 18.1661 k = 0.1441 0.2497-0.0000 ( 3957 PWs) bands (ev): -14.4158 -14.4158 0.7014 0.7014 1.4418 1.4418 1.6345 1.6345 3.6655 3.6655 5.7820 5.7820 5.9886 5.9886 6.0756 6.0756 6.1454 6.1454 6.2683 6.2683 6.3210 6.3210 6.4836 6.4836 6.7057 6.7057 6.7097 6.7097 6.9492 6.9492 7.2904 7.2904 7.6481 7.6481 8.2215 8.2215 8.4401 8.4401 8.5214 8.5214 8.7496 8.7496 8.9430 8.9430 9.0614 9.0614 9.1230 9.1230 9.2003 9.2003 9.2695 9.2695 9.6234 9.6234 9.8730 9.8730 10.0405 10.0405 10.3898 10.3898 10.7637 10.7637 11.9456 11.9456 13.6978 13.6978 14.0880 14.0880 14.4889 14.4889 16.1243 16.1243 16.4645 16.4645 18.2780 18.2780 k = 0.1351 0.2341-0.0000 ( 3953 PWs) bands (ev): -14.4159 -14.4159 0.7043 0.7043 1.4474 1.4474 1.6363 1.6363 3.6164 3.6164 5.7523 5.7523 6.0251 6.0251 6.0719 6.0719 6.1398 6.1398 6.2641 6.2641 6.3162 6.3162 6.4688 6.4688 6.7052 6.7052 6.7187 6.7187 6.9360 6.9360 7.2963 7.2963 7.6430 7.6430 8.2209 8.2209 8.4438 8.4438 8.5153 8.5153 8.7470 8.7470 8.9532 8.9532 9.0603 9.0603 9.1369 9.1369 9.2035 9.2035 9.2712 9.2712 9.6694 9.6694 9.8829 9.8829 10.1045 10.1045 10.4364 10.4364 10.7695 10.7695 12.0513 12.0513 13.6449 13.6449 13.9996 13.9996 14.4589 14.4589 15.9611 15.9611 16.3937 16.3937 18.3813 18.3813 k = 0.1261 0.2185-0.0000 ( 3965 PWs) bands (ev): -14.4160 -14.4160 0.7074 0.7074 1.4530 1.4530 1.6381 1.6381 3.5693 3.5693 5.7228 5.7228 6.0432 6.0432 6.0805 6.0805 6.1356 6.1356 6.2602 6.2602 6.3136 6.3136 6.4525 6.4525 6.7032 6.7032 6.7321 6.7321 6.9222 6.9222 7.3048 7.3048 7.6387 7.6387 8.2199 8.2199 8.4471 8.4471 8.5089 8.5089 8.7435 8.7435 8.9620 8.9620 9.0588 9.0588 9.1500 9.1500 9.2066 9.2066 9.2729 9.2729 9.7165 9.7165 9.8924 9.8924 10.1707 10.1707 10.4847 10.4847 10.7756 10.7756 12.1557 12.1557 13.5945 13.5945 13.9131 13.9131 14.4292 14.4292 15.7968 15.7968 16.3286 16.3286 18.4723 18.4724 k = 0.1171 0.2029-0.0000 ( 3963 PWs) bands (ev): -14.4161 -14.4161 0.7103 0.7103 1.4588 1.4588 1.6398 1.6398 3.5243 3.5243 5.6939 5.6939 6.0421 6.0421 6.0980 6.0980 6.1357 6.1357 6.2568 6.2568 6.3140 6.3140 6.4355 6.4355 6.7033 6.7033 6.7459 6.7459 6.9083 6.9083 7.3148 7.3148 7.6353 7.6353 8.2188 8.2188 8.4500 8.4500 8.5025 8.5025 8.7391 8.7391 8.9697 8.9697 9.0569 9.0569 9.1623 9.1623 9.2096 9.2096 9.2746 9.2746 9.7634 9.7634 9.9017 9.9017 10.2385 10.2385 10.5348 10.5348 10.7821 10.7821 12.2581 12.2581 13.5468 13.5468 13.8290 13.8290 14.3995 14.3995 15.6352 15.6352 16.2667 16.2667 18.5338 18.5338 k = 0.1081 0.1872-0.0000 ( 3963 PWs) bands (ev): -14.4162 -14.4162 0.7133 0.7133 1.4646 1.4646 1.6416 1.6416 3.4817 3.4817 5.6660 5.6660 6.0363 6.0363 6.1046 6.1046 6.1447 6.1447 6.2536 6.2536 6.3182 6.3182 6.4187 6.4187 6.7052 6.7052 6.7601 6.7601 6.8948 6.8948 7.3250 7.3250 7.6330 7.6330 8.2177 8.2177 8.4525 8.4525 8.4960 8.4960 8.7341 8.7341 8.9765 8.9765 9.0547 9.0547 9.1737 9.1737 9.2125 9.2125 9.2764 9.2764 9.8090 9.8090 9.9108 9.9108 10.3072 10.3072 10.5862 10.5862 10.7891 10.7891 12.3576 12.3576 13.5025 13.5025 13.7477 13.7477 14.3694 14.3694 15.4785 15.4785 16.2070 16.2070 18.5774 18.5774 k = 0.0991 0.1716-0.0000 ( 3959 PWs) bands (ev): -14.4163 -14.4163 0.7161 0.7161 1.4702 1.4702 1.6433 1.6433 3.4416 3.4416 5.6392 5.6392 6.0297 6.0297 6.1024 6.1024 6.1565 6.1565 6.2503 6.2503 6.3263 6.3263 6.4030 6.4030 6.7084 6.7084 6.7747 6.7747 6.8822 6.8822 7.3346 7.3346 7.6319 7.6319 8.2168 8.2168 8.4547 8.4547 8.4895 8.4895 8.7285 8.7285 8.9825 8.9825 9.0523 9.0523 9.1842 9.1842 9.2153 9.2153 9.2781 9.2781 9.8520 9.8520 9.9204 9.9204 10.3758 10.3758 10.6385 10.6385 10.7969 10.7969 12.4533 12.4533 13.4621 13.4621 13.6698 13.6698 14.3383 14.3383 15.3288 15.3288 16.1491 16.1491 18.6235 18.6235 k = 0.0901 0.1560-0.0000 ( 3963 PWs) bands (ev): -14.4164 -14.4164 0.7189 0.7189 1.4758 1.4758 1.6450 1.6450 3.4042 3.4042 5.6139 5.6139 6.0231 6.0231 6.0976 6.0976 6.1651 6.1651 6.2466 6.2466 6.3366 6.3366 6.3898 6.3898 6.7126 6.7126 6.7898 6.7898 6.8705 6.8705 7.3429 7.3429 7.6320 7.6320 8.2161 8.2161 8.4566 8.4566 8.4832 8.4832 8.7226 8.7226 8.9880 8.9880 9.0496 9.0496 9.1937 9.1937 9.2180 9.2180 9.2798 9.2798 9.8897 9.8897 9.9322 9.9322 10.4434 10.4434 10.6904 10.6904 10.8063 10.8063 12.5439 12.5439 13.4259 13.4259 13.5964 13.5964 14.3055 14.3055 15.1878 15.1878 16.0931 16.0931 18.6743 18.6743 k = 0.0811 0.1404-0.0000 ( 3967 PWs) bands (ev): -14.4165 -14.4165 0.7214 0.7214 1.4811 1.4811 1.6467 1.6467 3.3697 3.3697 5.5902 5.5902 6.0166 6.0166 6.0922 6.0922 6.1700 6.1700 6.2424 6.2424 6.3442 6.3442 6.3827 6.3827 6.7175 6.7175 6.8051 6.8051 6.8600 6.8600 7.3494 7.3494 7.6333 7.6333 8.2157 8.2157 8.4583 8.4583 8.4772 8.4772 8.7165 8.7165 8.9929 8.9929 9.0469 9.0469 9.2023 9.2023 9.2206 9.2206 9.2815 9.2815 9.9157 9.9157 9.9521 9.9521 10.5088 10.5088 10.7390 10.7390 10.8197 10.8197 12.6280 12.6280 13.3940 13.3940 13.5289 13.5289 14.2703 14.2703 15.0575 15.0575 16.0392 16.0392 18.7303 18.7303 k = 0.0721 0.1248-0.0000 ( 3975 PWs) bands (ev): -14.4165 -14.4165 0.7238 0.7238 1.4862 1.4862 1.6483 1.6483 3.3382 3.3382 5.5685 5.5685 6.0105 6.0105 6.0869 6.0869 6.1723 6.1723 6.2378 6.2378 6.3431 6.3431 6.3865 6.3865 6.7226 6.7226 6.8203 6.8203 6.8509 6.8509 7.3538 7.3538 7.6359 7.6359 8.2155 8.2155 8.4596 8.4596 8.4714 8.4714 8.7104 8.7104 8.9974 8.9974 9.0442 9.0442 9.2098 9.2098 9.2230 9.2230 9.2832 9.2832 9.9287 9.9287 9.9810 9.9810 10.5707 10.5707 10.7770 10.7770 10.8437 10.8437 12.7041 12.7041 13.3648 13.3648 13.4706 13.4706 14.2319 14.2319 14.9398 14.9398 15.9878 15.9878 18.7917 18.7917 k = 0.0631 0.1092-0.0000 ( 3983 PWs) bands (ev): -14.4166 -14.4166 0.7260 0.7260 1.4908 1.4908 1.6498 1.6498 3.3100 3.3100 5.5488 5.5488 6.0049 6.0049 6.0818 6.0818 6.1729 6.1729 6.2330 6.2330 6.3361 6.3361 6.3970 6.3970 6.7278 6.7278 6.8332 6.8332 6.8453 6.8453 7.3562 7.3562 7.6396 7.6396 8.2157 8.2157 8.4607 8.4607 8.4661 8.4661 8.7044 8.7044 9.0015 9.0015 9.0415 9.0415 9.2163 9.2163 9.2254 9.2254 9.2847 9.2847 9.9365 9.9365 10.0107 10.0107 10.6282 10.6282 10.7985 10.7985 10.8829 10.8829 12.7706 12.7706 13.3338 13.3338 13.4275 13.4275 14.1898 14.1898 14.8366 14.8366 15.9395 15.9395 18.8082 18.8082 k = 0.0541 0.0936-0.0000 ( 3987 PWs) bands (ev): -14.4167 -14.4167 0.7280 0.7280 1.4950 1.4950 1.6512 1.6512 3.2852 3.2852 5.5314 5.5314 5.9999 5.9999 6.0772 6.0772 6.1726 6.1726 6.2282 6.2282 6.3284 6.3284 6.4084 6.4084 6.7327 6.7327 6.8325 6.8325 6.8539 6.8539 7.3567 7.3567 7.6439 7.6439 8.2161 8.2161 8.4602 8.4602 8.4625 8.4625 8.6988 8.6988 9.0052 9.0052 9.0391 9.0391 9.2215 9.2215 9.2278 9.2278 9.2862 9.2862 9.9423 9.9423 10.0376 10.0376 10.6802 10.6802 10.8104 10.8104 10.9292 10.9292 12.8262 12.8262 13.2965 13.2965 13.4054 13.4054 14.1441 14.1441 14.7493 14.7493 15.8950 15.8950 18.8159 18.8159 k = 0.0450 0.0780-0.0000 ( 3983 PWs) bands (ev): -14.4167 -14.4167 0.7296 0.7296 1.4987 1.4987 1.6525 1.6525 3.2639 3.2639 5.5165 5.5165 5.9955 5.9955 6.0731 6.0731 6.1717 6.1717 6.2237 6.2237 6.3216 6.3216 6.4189 6.4189 6.7371 6.7371 6.8272 6.8272 6.8675 6.8675 7.3558 7.3558 7.6485 7.6485 8.2166 8.2166 8.4563 8.4563 8.4628 8.4628 8.6938 8.6938 9.0084 9.0084 9.0368 9.0368 9.2252 9.2252 9.2306 9.2306 9.2875 9.2875 9.9470 9.9470 10.0610 10.0610 10.7257 10.7257 10.8186 10.8186 10.9748 10.9748 12.8703 12.8703 13.2564 13.2564 13.4008 13.4008 14.0964 14.0964 14.6784 14.6784 15.8551 15.8551 18.8187 18.8187 k = 0.0360 0.0624-0.0000 ( 3971 PWs) bands (ev): -14.4167 -14.4167 0.7310 0.7310 1.5018 1.5018 1.6536 1.6536 3.2463 3.2463 5.5041 5.5041 5.9918 5.9918 6.0697 6.0697 6.1706 6.1706 6.2198 6.2198 6.3160 6.3160 6.4276 6.4276 6.7409 6.7409 6.8225 6.8225 6.8801 6.8801 7.3539 7.3539 7.6530 7.6530 8.2173 8.2173 8.4526 8.4526 8.4633 8.4633 8.6894 8.6894 9.0112 9.0112 9.0348 9.0348 9.2275 9.2275 9.2335 9.2335 9.2886 9.2886 9.9508 9.9508 10.0803 10.0803 10.7642 10.7642 10.8249 10.8249 11.0161 11.0161 12.9036 12.9036 13.2191 13.2191 13.4069 13.4069 14.0494 14.0494 14.6232 14.6232 15.8208 15.8208 18.8182 18.8182 k = 0.0270 0.0468-0.0000 ( 3971 PWs) bands (ev): -14.4168 -14.4168 0.7322 0.7322 1.5042 1.5042 1.6545 1.6545 3.2324 3.2324 5.4943 5.4943 5.9889 5.9889 6.0670 6.0670 6.1695 6.1695 6.2165 6.2165 6.3117 6.3117 6.4344 6.4344 6.7439 6.7439 6.8187 6.8187 6.8908 6.8908 7.3517 7.3517 7.6570 7.6570 8.2179 8.2179 8.4496 8.4496 8.4637 8.4637 8.6858 8.6858 9.0135 9.0135 9.0331 9.0331 9.2289 9.2289 9.2362 9.2362 9.2895 9.2895 9.9537 9.9537 10.0954 10.0954 10.7947 10.7947 10.8299 10.8299 11.0507 11.0507 12.9273 12.9273 13.1880 13.1880 13.4179 13.4179 14.0069 14.0069 14.5825 14.5825 15.7930 15.7930 18.8160 18.8160 k = 0.0180 0.0312-0.0000 ( 3969 PWs) bands (ev): -14.4168 -14.4168 0.7330 0.7330 1.5060 1.5060 1.6552 1.6552 3.2225 3.2225 5.4873 5.4873 5.9868 5.9868 6.0650 6.0650 6.1686 6.1686 6.2141 6.2141 6.3087 6.3087 6.4393 6.4393 6.7461 6.7461 6.8160 6.8160 6.8990 6.8990 7.3497 7.3497 7.6601 7.6601 8.2184 8.2184 8.4474 8.4474 8.4640 8.4640 8.6831 8.6831 9.0152 9.0152 9.0318 9.0318 9.2298 9.2298 9.2382 9.2382 9.2902 9.2902 9.9557 9.9557 10.1063 10.1063 10.8167 10.8167 10.8337 10.8337 11.0768 11.0768 12.9430 12.9430 13.1648 13.1648 13.4294 13.4294 13.9728 13.9728 14.5546 14.5546 15.7723 15.7723 18.8134 18.8134 k = 0.0090 0.0156-0.0000 ( 3981 PWs) bands (ev): -14.4168 -14.4168 0.7334 0.7334 1.5071 1.5071 1.6556 1.6556 3.2165 3.2165 5.4830 5.4830 5.9855 5.9855 6.0638 6.0638 6.1680 6.1680 6.2126 6.2126 6.3070 6.3070 6.4421 6.4421 6.7475 6.7475 6.8144 6.8144 6.9041 6.9041 7.3482 7.3482 7.6621 7.6621 8.2187 8.2187 8.4460 8.4460 8.4642 8.4642 8.6815 8.6815 9.0163 9.0163 9.0310 9.0310 9.2303 9.2303 9.2394 9.2394 9.2906 9.2906 9.9569 9.9569 10.1128 10.1128 10.8292 10.8292 10.8370 10.8370 11.0930 11.0930 12.9519 12.9519 13.1505 13.1505 13.4377 13.4377 13.9508 13.9508 14.5384 14.5384 15.7597 15.7597 18.8115 18.8115 k = 0.0000 0.0000 0.0000 ( 4001 PWs) bands (ev): -14.4168 -14.4168 0.7336 0.7336 1.5075 1.5075 1.6557 1.6557 3.2145 3.2145 5.4816 5.4816 5.9850 5.9850 6.0634 6.0634 6.1678 6.1678 6.2121 6.2121 6.3064 6.3064 6.4431 6.4431 6.7479 6.7479 6.8139 6.8139 6.9059 6.9059 7.3477 7.3477 7.6628 7.6628 8.2188 8.2188 8.4456 8.4456 8.4642 8.4642 8.6810 8.6810 9.0167 9.0167 9.0307 9.0307 9.2305 9.2305 9.2398 9.2398 9.2907 9.2907 9.9573 9.9573 10.1150 10.1150 10.8324 10.8324 10.8390 10.8390 11.0985 11.0985 12.9548 12.9548 13.1457 13.1457 13.4408 13.4408 13.9432 13.9432 14.5331 14.5331 15.7554 15.7554 18.8108 18.8108 k = 0.0000 0.0000 0.0000 ( 4001 PWs) bands (ev): -14.4168 -14.4168 0.7336 0.7336 1.5075 1.5075 1.6557 1.6557 3.2145 3.2145 5.4816 5.4816 5.9850 5.9850 6.0634 6.0634 6.1678 6.1678 6.2121 6.2121 6.3064 6.3064 6.4431 6.4431 6.7479 6.7479 6.8139 6.8139 6.9059 6.9059 7.3477 7.3477 7.6628 7.6628 8.2188 8.2188 8.4456 8.4456 8.4642 8.4642 8.6810 8.6810 9.0167 9.0167 9.0307 9.0307 9.2305 9.2305 9.2398 9.2398 9.2907 9.2907 9.9573 9.9573 10.1150 10.1150 10.8324 10.8324 10.8390 10.8390 11.0985 11.0985 12.9548 12.9548 13.1457 13.1457 13.4408 13.4408 13.9432 13.9432 14.5331 14.5331 15.7554 15.7554 18.8108 18.8108 k = 0.0000 0.0000 0.0180 ( 3971 PWs) bands (ev): -14.4168 -14.4168 0.7335 0.7335 1.5075 1.5075 1.6552 1.6552 3.2165 3.2165 5.4827 5.4827 5.9861 5.9861 6.0646 6.0646 6.1626 6.1626 6.2122 6.2122 6.3037 6.3037 6.4416 6.4416 6.7293 6.7293 6.8143 6.8143 6.9303 6.9303 7.3477 7.3477 7.6677 7.6677 8.2172 8.2172 8.4419 8.4419 8.4686 8.4686 8.6813 8.6813 9.0066 9.0066 9.0418 9.0418 9.2313 9.2313 9.2417 9.2417 9.2908 9.2908 9.9571 9.9571 10.1138 10.1138 10.8285 10.8285 10.8363 10.8363 11.0990 11.0990 12.9548 12.9548 13.1272 13.1272 13.4408 13.4408 13.9446 13.9446 14.5335 14.5335 15.7705 15.7705 18.8194 18.8194 k = 0.0000 0.0000 0.0360 ( 3971 PWs) bands (ev): -14.4168 -14.4168 0.7331 0.7331 1.5074 1.5074 1.6535 1.6535 3.2226 3.2226 5.4860 5.4860 5.9892 5.9892 6.0682 6.0682 6.1467 6.1467 6.2125 6.2125 6.2963 6.2963 6.4371 6.4371 6.6916 6.6916 6.8156 6.8156 6.9850 6.9850 7.3477 7.3477 7.6821 7.6821 8.2123 8.2123 8.4348 8.4348 8.4777 8.4777 8.6821 8.6821 8.9922 8.9922 9.0592 9.0592 9.2335 9.2335 9.2477 9.2477 9.2911 9.2911 9.9565 9.9565 10.1102 10.1102 10.8168 10.8168 10.8283 10.8283 11.1005 11.1005 12.9547 12.9547 13.0731 13.0731 13.4407 13.4407 13.9487 13.9487 14.5348 14.5348 15.8143 15.8143 18.8452 18.8452 k = 0.0000 0.0000 0.0540 ( 3959 PWs) bands (ev): -14.4167 -14.4167 0.7325 0.7325 1.5074 1.5074 1.6507 1.6507 3.2327 3.2327 5.4915 5.4915 5.9943 5.9943 6.0741 6.0741 6.1198 6.1198 6.2128 6.2128 6.2856 6.2856 6.4302 6.4302 6.6522 6.6522 6.8177 6.8177 7.0521 7.0521 7.3477 7.3477 7.7058 7.7058 8.2045 8.2045 8.4270 8.4270 8.4887 8.4887 8.6836 8.6836 8.9772 8.9772 9.0789 9.0789 9.2365 9.2365 9.2583 9.2583 9.2915 9.2915 9.9556 9.9556 10.1042 10.1042 10.7975 10.7975 10.8152 10.8152 11.1030 11.1030 12.9545 12.9545 12.9872 12.9872 13.4407 13.4407 13.9553 13.9553 14.5368 14.5368 15.8830 15.8830 18.8880 18.8880 k = 0.0000 0.0000 0.0721 ( 3959 PWs) bands (ev): -14.4165 -14.4165 0.7316 0.7316 1.5073 1.5073 1.6469 1.6469 3.2468 3.2468 5.4992 5.4992 6.0014 6.0014 6.0824 6.0824 6.0827 6.0827 6.2126 6.2126 6.2725 6.2725 6.4214 6.4214 6.6163 6.6163 6.8207 6.8207 7.1250 7.1250 7.3473 7.3473 7.7379 7.7379 8.1938 8.1938 8.4190 8.4190 8.5011 8.5011 8.6857 8.6857 8.9617 8.9617 9.1007 9.1007 9.2403 9.2403 9.2736 9.2736 9.2920 9.2920 9.9544 9.9544 10.0955 10.0955 10.7708 10.7708 10.7974 10.7974 11.1065 11.1065 12.8747 12.8747 12.9543 12.9543 13.4406 13.4406 13.9643 13.9643 14.5395 14.5395 15.9713 15.9713 18.9478 18.9478 k = 0.0000 0.0000 0.0901 ( 3965 PWs) bands (ev): -14.4164 -14.4164 0.7305 0.7305 1.5072 1.5072 1.6420 1.6420 3.2648 3.2648 5.5091 5.5091 6.0105 6.0105 6.0370 6.0370 6.0931 6.0931 6.2113 6.2113 6.2573 6.2573 6.4119 6.4119 6.5853 6.5853 6.8244 6.8244 7.2014 7.2014 7.3466 7.3466 7.7777 7.7777 8.1808 8.1808 8.4105 8.4105 8.5148 8.5148 8.6884 8.6884 8.9453 8.9453 9.1247 9.1247 9.2449 9.2449 9.2928 9.2928 9.2933 9.2933 9.9530 9.9530 10.0837 10.0837 10.7373 10.7373 10.7755 10.7755 11.1111 11.1111 12.7409 12.7409 12.9539 12.9539 13.4404 13.4404 13.9752 13.9752 14.5427 14.5427 16.0740 16.0740 19.0241 19.0241 k = 0.0000 0.0000 0.1081 ( 3965 PWs) bands (ev): -14.4162 -14.4162 0.7292 0.7292 1.5071 1.5071 1.6363 1.6363 3.2867 3.2867 5.5211 5.5211 5.9848 5.9848 6.0214 6.0214 6.1060 6.1060 6.2081 6.2081 6.2394 6.2394 6.4028 6.4028 6.5596 6.5596 6.8289 6.8289 7.2794 7.2794 7.3452 7.3452 7.8245 7.8245 8.1657 8.1657 8.4016 8.4016 8.5296 8.5296 8.6916 8.6916 8.9276 8.9276 9.1508 9.1508 9.2505 9.2505 9.2936 9.2936 9.3173 9.3173 9.9515 9.9515 10.0687 10.0687 10.6973 10.6973 10.7500 10.7500 11.1166 11.1166 12.5906 12.5906 12.9535 12.9535 13.4403 13.4403 13.9877 13.9877 14.5461 14.5461 16.1864 16.1864 18.9553 18.9553 k = 0.0000 0.0000 0.1261 ( 3959 PWs) bands (ev): -14.4160 -14.4160 0.7276 0.7276 1.5070 1.5070 1.6296 1.6296 3.3124 3.3124 5.5353 5.5353 5.9281 5.9281 6.0340 6.0340 6.1213 6.1213 6.2022 6.2022 6.2184 6.2184 6.3957 6.3957 6.5393 6.5393 6.8340 6.8340 7.3430 7.3430 7.3582 7.3582 7.8775 7.8775 8.1489 8.1489 8.3921 8.3921 8.5454 8.5454 8.6955 8.6955 8.9086 8.9086 9.1788 9.1788 9.2569 9.2569 9.2946 9.2946 9.3456 9.3456 9.9500 9.9500 10.0498 10.0498 10.6514 10.6514 10.7218 10.7218 11.1233 11.1233 12.4278 12.4278 12.9530 12.9530 13.4400 13.4400 14.0013 14.0013 14.5494 14.5494 16.3049 16.3049 18.8157 18.8157 k = 0.0000 0.0000 0.1441 ( 3965 PWs) bands (ev): -14.4157 -14.4157 0.7258 0.7258 1.5068 1.5068 1.6222 1.6222 3.3418 3.3418 5.5517 5.5517 5.8687 5.8687 6.0480 6.0480 6.1388 6.1388 6.1929 6.1929 6.1940 6.1940 6.3919 6.3919 6.5243 6.5243 6.8398 6.8398 7.3400 7.3400 7.4367 7.4367 7.9359 7.9359 8.1307 8.1307 8.3819 8.3819 8.5621 8.5621 8.7000 8.7000 8.8881 8.8881 9.2086 9.2086 9.2642 9.2642 9.2957 9.2957 9.3779 9.3779 9.9488 9.9488 10.0266 10.0266 10.6002 10.6002 10.6917 10.6917 11.1310 11.1310 12.2560 12.2560 12.9524 12.9524 13.4397 13.4397 14.0156 14.0156 14.5523 14.5523 16.4266 16.4266 18.6690 18.6690 k = 0.0000 0.0000 0.1621 ( 3965 PWs) bands (ev): -14.4154 -14.4154 0.7238 0.7238 1.5067 1.5067 1.6141 1.6141 3.3748 3.3748 5.5701 5.5701 5.8078 5.8078 6.0627 6.0627 6.1585 6.1585 6.1664 6.1664 6.1802 6.1802 6.3921 6.3921 6.5141 6.5141 6.8461 6.8461 7.3361 7.3361 7.5142 7.5142 7.9993 7.9993 8.1116 8.1116 8.3708 8.3708 8.5795 8.5795 8.7051 8.7051 8.8661 8.8661 9.2397 9.2397 9.2723 9.2723 9.2969 9.2969 9.4142 9.4142 9.9481 9.9481 9.9984 9.9984 10.5444 10.5444 10.6607 10.6607 11.1399 11.1399 12.0778 12.0778 12.9517 12.9517 13.4394 13.4394 14.0300 14.0300 14.5545 14.5545 16.5496 16.5496 18.5171 18.5171 k = 0.0000 0.0000 0.1802 ( 3941 PWs) bands (ev): -14.4151 -14.4151 0.7216 0.7216 1.5065 1.5065 1.6055 1.6055 3.4112 3.4112 5.5907 5.5907 5.7463 5.7463 6.0767 6.0767 6.1361 6.1361 6.1660 6.1660 6.1804 6.1804 6.3966 6.3966 6.5080 6.5080 6.8530 6.8530 7.3311 7.3311 7.5901 7.5901 8.0668 8.0668 8.0917 8.0917 8.3588 8.3588 8.5972 8.5972 8.7108 8.7108 8.8425 8.8425 9.2721 9.2721 9.2810 9.2810 9.2982 9.2982 9.4542 9.4542 9.9481 9.9481 9.9649 9.9649 10.4847 10.4847 10.6297 10.6297 11.1500 11.1500 11.8953 11.8953 12.9509 12.9509 13.4390 13.4390 14.0443 14.0443 14.5556 14.5556 16.6728 16.6728 18.3618 18.3618 k = 0.0000 0.0000 0.1982 ( 3941 PWs) bands (ev): -14.4148 -14.4148 0.7192 0.7192 1.5063 1.5063 1.5963 1.5963 3.4510 3.4510 5.6134 5.6134 5.6851 5.6851 6.0853 6.0853 6.1037 6.1037 6.1552 6.1552 6.2044 6.2044 6.4051 6.4051 6.5055 6.5055 6.8602 6.8602 7.3253 7.3253 7.6639 7.6639 8.0713 8.0713 8.1381 8.1381 8.3459 8.3459 8.6152 8.6152 8.7171 8.7171 8.8175 8.8175 9.2902 9.2902 9.2995 9.2995 9.3053 9.3053 9.4977 9.4977 9.9253 9.9253 9.9491 9.9491 10.4218 10.4218 10.5994 10.5994 11.1613 11.1613 11.7105 11.7105 12.9500 12.9500 13.4384 13.4384 14.0580 14.0580 14.5553 14.5553 16.7955 16.7955 18.2044 18.2044 k = 0.0000 0.0000 0.2162 ( 3941 PWs) bands (ev): -14.4145 -14.4145 0.7166 0.7166 1.5061 1.5061 1.5867 1.5867 3.4940 3.4940 5.6246 5.6246 5.6382 5.6382 6.0699 6.0699 6.0805 6.0805 6.1568 6.1568 6.2304 6.2304 6.4172 6.4172 6.5058 6.5058 6.8678 6.8678 7.3185 7.3185 7.7351 7.7351 8.0508 8.0508 8.2123 8.2123 8.3321 8.3321 8.6331 8.6331 8.7241 8.7241 8.7911 8.7911 9.2995 9.2995 9.3009 9.3009 9.3390 9.3390 9.5445 9.5445 9.8795 9.8795 9.9513 9.9513 10.3565 10.3565 10.5705 10.5705 11.1738 11.1738 11.5248 11.5248 12.9490 12.9490 13.4377 13.4377 14.0708 14.0708 14.5535 14.5535 16.9174 16.9174 18.0459 18.0459 k = 0.0000 0.0000 0.2342 ( 3941 PWs) bands (ev): -14.4141 -14.4141 0.7139 0.7139 1.5059 1.5059 1.5769 1.5769 3.5400 3.5400 5.5653 5.5653 5.6650 5.6650 6.0353 6.0353 6.0624 6.0624 6.1713 6.1713 6.2585 6.2585 6.4323 6.4323 6.5084 6.5084 6.8756 6.8756 7.3109 7.3109 7.8033 7.8033 8.0301 8.0301 8.2888 8.2888 8.3174 8.3174 8.6507 8.6507 8.7316 8.7316 8.7635 8.7635 9.3022 9.3022 9.3086 9.3086 9.3729 9.3729 9.5940 9.5940 9.8272 9.8272 9.9551 9.9551 10.2898 10.2898 10.5432 10.5432 11.1877 11.1877 11.3398 11.3398 12.9478 12.9478 13.4369 13.4369 14.0824 14.0824 14.5499 14.5499 17.0387 17.0387 17.8872 17.8872 k = 0.0000 0.0000 0.2522 ( 3959 PWs) bands (ev): -14.4137 -14.4137 0.7110 0.7110 1.5057 1.5057 1.5668 1.5668 3.5889 3.5889 5.5074 5.5074 5.6938 5.6938 6.0003 6.0003 6.0379 6.0379 6.1921 6.1921 6.2884 6.2884 6.4501 6.4501 6.5128 6.5128 6.8836 6.8836 7.3027 7.3027 7.8684 7.8684 8.0096 8.0096 8.3019 8.3019 8.3668 8.3668 8.6678 8.6678 8.7349 8.7349 8.7396 8.7396 9.3036 9.3036 9.3168 9.3168 9.4063 9.4063 9.6459 9.6459 9.7687 9.7687 9.9609 9.9609 10.2228 10.2228 10.5175 10.5175 11.1571 11.1571 11.2030 11.2030 12.9465 12.9465 13.4359 13.4359 14.0926 14.0926 14.5445 14.5445 17.1595 17.1595 17.7288 17.7288 k = 0.0000 0.0000 0.2702 ( 3959 PWs) bands (ev): -14.4133 -14.4133 0.7079 0.7079 1.5055 1.5055 1.5566 1.5566 3.6404 3.6404 5.4511 5.4511 5.7247 5.7247 5.9655 5.9655 6.0108 6.0108 6.2161 6.2161 6.3201 6.3201 6.4703 6.4703 6.5188 6.5188 6.8917 6.8917 7.2938 7.2938 7.9301 7.9301 7.9893 7.9893 8.2857 8.2857 8.4454 8.4454 8.6842 8.6842 8.7054 8.7054 8.7483 8.7483 9.3050 9.3050 9.3236 9.3236 9.4382 9.4382 9.6995 9.6995 9.7047 9.7047 9.9689 9.9689 10.1569 10.1569 10.4925 10.4925 10.9787 10.9787 11.2197 11.2197 12.9451 12.9451 13.4348 13.4348 14.1012 14.1012 14.5372 14.5372 17.2803 17.2803 17.5713 17.5713 k = 0.0000 0.0000 0.2883 ( 3959 PWs) bands (ev): -14.4129 -14.4129 0.7048 0.7048 1.5053 1.5053 1.5464 1.5464 3.6945 3.6945 5.3968 5.3968 5.7576 5.7576 5.9310 5.9310 5.9826 5.9826 6.2419 6.2419 6.3535 6.3535 6.4926 6.4926 6.5258 6.5258 6.8998 6.8998 7.2846 7.2846 7.9693 7.9693 7.9884 7.9884 8.2689 8.2689 8.5237 8.5237 8.6752 8.6752 8.6999 8.6999 8.7575 8.7575 9.3065 9.3065 9.3278 9.3278 9.4660 9.4660 9.6376 9.6376 9.7536 9.7536 9.9796 9.9796 10.0943 10.0943 10.4657 10.4657 10.8083 10.8083 11.2379 11.2379 12.9435 12.9435 13.4334 13.4334 14.1083 14.1083 14.5281 14.5281 17.4014 17.4014 17.4153 17.4153 k = 0.0000 0.0000 0.3063 ( 3953 PWs) bands (ev): -14.4125 -14.4125 0.7015 0.7015 1.5050 1.5050 1.5362 1.5362 3.7507 3.7507 5.3445 5.3445 5.7925 5.7925 5.8973 5.8973 5.9540 5.9540 6.2690 6.2690 6.3885 6.3885 6.5169 6.5169 6.5338 6.5338 6.9079 6.9079 7.2750 7.2750 7.9496 7.9496 8.0432 8.0432 8.2517 8.2517 8.6003 8.6003 8.6446 8.6446 8.7147 8.7147 8.7677 8.7677 9.3082 9.3082 9.3283 9.3283 9.4770 9.4770 9.5796 9.5796 9.8053 9.8053 9.9932 9.9932 10.0390 10.0390 10.4289 10.4289 10.6552 10.6552 11.2577 11.2577 12.9417 12.9417 13.4318 13.4318 14.1138 14.1138 14.5171 14.5171 17.2610 17.2610 17.5059 17.5059 k = 0.0000 0.0000 0.3243 ( 3965 PWs) bands (ev): -14.4121 -14.4121 0.6982 0.6982 1.5048 1.5048 1.5262 1.5262 3.8090 3.8090 5.2944 5.2944 5.8295 5.8295 5.8645 5.8645 5.9256 5.9256 6.2969 6.2969 6.4249 6.4249 6.5425 6.5425 6.5429 6.5429 6.9158 6.9158 7.2652 7.2652 7.9305 7.9305 8.0946 8.0946 8.2343 8.2343 8.6139 8.6139 8.6731 8.6731 8.7285 8.7285 8.7796 8.7796 9.3105 9.3105 9.3233 9.3233 9.4343 9.4343 9.5672 9.5672 9.8460 9.8460 10.0010 10.0010 10.0099 10.0099 10.3575 10.3575 10.5454 10.5454 11.2791 11.2791 12.9398 12.9398 13.4300 13.4300 14.1176 14.1176 14.5044 14.5044 17.1088 17.1088 17.3559 17.3559 k = 0.0000 0.0000 0.3423 ( 3977 PWs) bands (ev): -14.4117 -14.4117 0.6948 0.6948 1.5046 1.5046 1.5164 1.5164 3.8689 3.8689 5.2466 5.2466 5.8328 5.8328 5.8684 5.8684 5.8976 5.8976 6.3253 6.3253 6.4625 6.4625 6.5517 6.5517 6.5705 6.5705 6.9235 6.9235 7.2554 7.2554 7.9118 7.9118 8.1424 8.1424 8.2169 8.2169 8.5832 8.5832 8.7361 8.7361 8.7413 8.7413 8.7983 8.7983 9.3109 9.3109 9.3135 9.3135 9.3529 9.3529 9.5838 9.5838 9.8556 9.8556 10.0022 10.0022 10.0301 10.0301 10.2391 10.2391 10.4932 10.4932 11.3022 11.3022 12.9378 12.9378 13.4279 13.4279 14.1200 14.1200 14.4903 14.4903 16.9589 16.9589 17.2092 17.2092 k = 0.0000 0.0000 0.3603 ( 3965 PWs) bands (ev): -14.4113 -14.4113 0.6914 0.6914 1.5044 1.5044 1.5068 1.5068 3.9301 3.9301 5.2012 5.2012 5.8023 5.8023 5.8704 5.8704 5.9093 5.9093 6.3541 6.3541 6.5013 6.5013 6.5613 6.5613 6.5996 6.5996 6.9309 6.9309 7.2456 7.2456 7.8936 7.8936 8.1869 8.1869 8.1997 8.1997 8.5528 8.5528 8.7531 8.7531 8.7728 8.7728 8.8386 8.8386 9.2585 9.2585 9.2895 9.2895 9.3180 9.3180 9.6015 9.6015 9.8364 9.8364 10.0417 10.0417 10.0536 10.0536 10.1072 10.1072 10.4684 10.4684 11.3269 11.3269 12.9356 12.9356 13.4255 13.4255 14.1211 14.1211 14.4748 14.4748 16.8117 16.8117 17.0667 17.0667 k = 0.0000 0.0000 0.3783 ( 3959 PWs) bands (ev): -14.4109 -14.4109 0.6880 0.6880 1.4976 1.4976 1.5041 1.5041 3.9923 3.9923 5.1582 5.1582 5.7733 5.7733 5.8442 5.8442 5.9522 5.9522 6.3828 6.3828 6.5409 6.5409 6.5710 6.5710 6.6298 6.6298 6.9380 6.9380 7.2360 7.2360 7.8760 7.8760 8.1831 8.1831 8.2281 8.2281 8.5228 8.5228 8.7638 8.7638 8.7887 8.7887 8.8938 8.8938 9.1562 9.1562 9.2580 9.2580 9.3246 9.3246 9.6092 9.6092 9.8130 9.8130 9.9863 9.9863 10.0804 10.0804 10.0956 10.0956 10.4530 10.4530 11.3533 11.3533 12.9333 12.9333 13.4228 13.4228 14.1209 14.1209 14.4583 14.4583 16.6675 16.6675 16.9290 16.9290 k = 0.0000 0.0000 0.3964 ( 3959 PWs) bands (ev): -14.4105 -14.4105 0.6846 0.6846 1.4887 1.4887 1.5039 1.5039 4.0551 4.0551 5.1177 5.1177 5.7457 5.7457 5.8191 5.8191 5.9972 5.9972 6.4115 6.4115 6.5808 6.5808 6.5812 6.5812 6.6611 6.6611 6.9448 6.9448 7.2267 7.2267 7.8588 7.8588 8.1672 8.1672 8.2661 8.2661 8.4934 8.4934 8.7734 8.7734 8.7988 8.7988 8.9470 8.9470 9.0478 9.0478 9.2166 9.2166 9.3344 9.3344 9.5927 9.5927 9.7952 9.7952 9.8949 9.8949 10.1103 10.1103 10.1537 10.1537 10.4419 10.4419 11.3814 11.3814 12.9308 12.9308 13.4198 13.4198 14.1198 14.1198 14.4410 14.4410 16.5267 16.5267 16.7969 16.7969 k = 0.0000 0.0000 0.4144 ( 3977 PWs) bands (ev): -14.4101 -14.4101 0.6813 0.6813 1.4803 1.4803 1.5037 1.5037 4.1179 4.1179 5.0799 5.0799 5.7198 5.7198 5.7952 5.7952 6.0442 6.0442 6.4397 6.4397 6.5906 6.5906 6.6218 6.6218 6.6930 6.6930 6.9512 6.9512 7.2176 7.2176 7.8422 7.8422 8.1526 8.1526 8.3010 8.3010 8.4644 8.4644 8.7817 8.7817 8.8068 8.8068 8.9348 8.9348 8.9930 8.9930 9.1667 9.1667 9.3483 9.3483 9.5379 9.5379 9.7846 9.7846 9.8486 9.8486 10.1430 10.1430 10.2128 10.2128 10.4333 10.4333 11.4109 11.4109 12.9282 12.9282 13.4165 13.4165 14.1179 14.1179 14.4232 14.4232 16.3896 16.3896 16.6711 16.6711 k = 0.0000 0.0000 0.4324 ( 3977 PWs) bands (ev): -14.4098 -14.4098 0.6781 0.6781 1.4724 1.4724 1.5035 1.5035 4.1803 4.1803 5.0446 5.0446 5.6955 5.6955 5.7728 5.7728 6.0933 6.0933 6.4673 6.4673 6.6001 6.6001 6.6625 6.6625 6.7253 6.7253 6.9573 6.9573 7.2091 7.2091 7.8259 7.8259 8.1395 8.1395 8.3331 8.3331 8.4348 8.4348 8.7887 8.7887 8.8134 8.8134 8.8195 8.8195 9.0303 9.0303 9.1104 9.1104 9.3671 9.3671 9.4532 9.4532 9.7803 9.7803 9.8394 9.8394 10.1779 10.1779 10.2714 10.2714 10.4263 10.4263 11.4418 11.4418 12.9256 12.9256 13.4129 13.4129 14.1155 14.1155 14.4053 14.4053 16.2569 16.2569 16.5521 16.5521 k = 0.0000 0.0000 0.4504 ( 3978 PWs) bands (ev): -14.4094 -14.4094 0.6750 0.6750 1.4650 1.4650 1.5033 1.5033 4.2416 4.2416 5.0121 5.0121 5.6730 5.6730 5.7518 5.7518 6.1443 6.1443 6.4940 6.4940 6.6093 6.6093 6.7029 6.7029 6.7575 6.7575 6.9630 6.9630 7.2010 7.2010 7.8101 7.8101 8.1284 8.1284 8.3625 8.3625 8.4025 8.4025 8.7062 8.7062 8.7939 8.7939 8.8187 8.8187 9.0502 9.0502 9.0584 9.0584 9.3577 9.3577 9.3906 9.3906 9.7809 9.7809 9.8479 9.8479 10.2144 10.2144 10.3286 10.3286 10.4205 10.4205 11.4738 11.4738 12.9230 12.9230 13.4091 13.4091 14.1126 14.1126 14.3874 14.3874 16.1293 16.1293 16.4406 16.4406 k = 0.0000 0.0000 0.4684 ( 3978 PWs) bands (ev): -14.4091 -14.4091 0.6721 0.6721 1.4581 1.4581 1.5031 1.5031 4.3012 4.3012 4.9822 4.9822 5.6523 5.6523 5.7324 5.7324 6.1974 6.1974 6.5197 6.5197 6.6182 6.6182 6.7426 6.7426 6.7892 6.7892 6.9685 6.9685 7.1935 7.1935 7.7946 7.7946 8.1197 8.1197 8.3615 8.3615 8.3894 8.3894 8.6029 8.6029 8.7964 8.7964 8.8227 8.8227 8.9889 8.9889 9.0782 9.0782 9.2617 9.2617 9.4177 9.4177 9.7848 9.7848 9.8630 9.8630 10.2517 10.2517 10.3835 10.3835 10.4157 10.4157 11.5066 11.5066 12.9203 12.9203 13.4051 13.4051 14.1097 14.1097 14.3700 14.3700 16.0075 16.0075 16.3369 16.3369 k = 0.0000 0.0000 0.4864 ( 4002 PWs) bands (ev): -14.4088 -14.4088 0.6693 0.6693 1.4518 1.4518 1.5029 1.5029 4.3585 4.3585 4.9552 4.9552 5.6334 5.6334 5.7146 5.7146 6.2522 6.2522 6.5441 6.5441 6.6265 6.6265 6.7809 6.7809 6.8199 6.8199 6.9740 6.9740 7.1866 7.1866 7.7790 7.7790 8.1139 8.1139 8.3009 8.3009 8.4138 8.4138 8.5230 8.5230 8.7934 8.7934 8.8255 8.8255 8.9308 8.9308 9.0913 9.0913 9.1689 9.1689 9.4468 9.4468 9.7909 9.7909 9.8804 9.8804 10.2889 10.2889 10.4117 10.4117 10.4357 10.4357 11.5396 11.5396 12.9177 12.9177 13.4010 13.4010 14.1067 14.1067 14.3532 14.3532 15.8925 15.8925 16.2416 16.2416 k = 0.0000 0.0000 0.5045 ( 4008 PWs) bands (ev): -14.4085 -14.4085 0.6668 0.6668 1.4461 1.4461 1.5028 1.5028 4.4126 4.4126 4.9308 4.9308 5.6164 5.6164 5.6986 5.6986 6.3086 6.3086 6.5670 6.5670 6.6342 6.6342 6.8172 6.8172 6.8491 6.8491 6.9801 6.9801 7.1804 7.1804 7.7630 7.7630 8.1113 8.1113 8.2151 8.2151 8.4359 8.4359 8.4745 8.4745 8.7776 8.7776 8.8272 8.8272 8.8848 8.8848 9.0808 9.0808 9.0995 9.0995 9.4762 9.4762 9.7981 9.7981 9.8979 9.8979 10.3253 10.3253 10.4084 10.4084 10.4843 10.4843 11.5724 11.5724 12.9153 12.9153 13.3969 13.3969 14.1038 14.1039 14.3374 14.3374 15.7851 15.7851 16.1551 16.1551 k = 0.0000 0.0000 0.5225 ( 3996 PWs) bands (ev): -14.4083 -14.4083 0.6644 0.6644 1.4410 1.4410 1.5027 1.5027 4.4629 4.4629 4.9093 4.9093 5.6013 5.6013 5.6843 5.6843 6.3662 6.3662 6.5881 6.5881 6.6412 6.6412 6.8502 6.8502 6.8762 6.8762 6.9876 6.9876 7.1749 7.1749 7.7454 7.7454 8.1124 8.1124 8.1150 8.1150 8.4499 8.4499 8.4556 8.4556 8.7402 8.7402 8.8278 8.8278 8.8607 8.8607 8.9979 8.9979 9.1044 9.1044 9.5043 9.5043 9.8058 9.8058 9.9145 9.9145 10.3598 10.3598 10.4057 10.4057 10.5290 10.5290 11.6041 11.6041 12.9130 12.9130 13.3928 13.3928 14.1013 14.1013 14.3227 14.3227 15.6867 15.6867 16.0778 16.0778 k = 0.0000 0.0000 0.5405 ( 3996 PWs) bands (ev): -14.4080 -14.4080 0.6624 0.6624 1.4366 1.4366 1.5025 1.5025 4.5085 4.5085 4.8907 4.8907 5.5882 5.5882 5.6718 5.6718 6.4241 6.4241 6.6072 6.6072 6.6475 6.6475 6.8782 6.8782 6.9008 6.9008 6.9983 6.9983 7.1702 7.1702 7.7237 7.7237 8.0149 8.0149 8.1173 8.1173 8.4395 8.4395 8.4731 8.4731 8.6883 8.6883 8.8274 8.8274 8.8525 8.8525 8.9205 8.9205 9.1071 9.1071 9.5301 9.5301 9.8133 9.8133 9.9296 9.9296 10.3917 10.3917 10.4034 10.4034 10.5690 10.5690 11.6342 11.6342 12.9110 12.9110 13.3889 13.3889 14.0990 14.0990 14.3096 14.3096 15.5981 15.5981 16.0099 16.0099 k = 0.0000 0.0000 0.5585 ( 3990 PWs) bands (ev): -14.4078 -14.4078 0.6606 0.6606 1.4328 1.4328 1.5024 1.5024 4.5487 4.5487 4.8748 4.8748 5.5770 5.5770 5.6612 5.6612 6.4811 6.4811 6.6239 6.6239 6.6529 6.6529 6.8990 6.8990 6.9223 6.9223 7.0145 7.0145 7.1662 7.1662 7.6928 7.6928 7.9265 7.9265 8.1261 8.1261 8.4386 8.4386 8.4883 8.4883 8.6330 8.6330 8.8264 8.8264 8.8488 8.8488 8.8504 8.8504 9.1083 9.1083 9.5527 9.5527 9.8203 9.8203 9.9429 9.9429 10.4016 10.4016 10.4201 10.4201 10.6039 10.6039 11.6616 11.6616 12.9092 12.9092 13.3853 13.3853 14.0971 14.0971 14.2981 14.2981 15.5206 15.5206 15.9519 15.9519 k = 0.0000 0.0000 0.5765 ( 3990 PWs) bands (ev): -14.4077 -14.4077 0.6591 0.6591 1.4297 1.4297 1.5023 1.5023 4.5828 4.5828 4.8619 4.8619 5.5679 5.5679 5.6525 5.6525 6.5355 6.5355 6.6381 6.6381 6.6574 6.6574 6.9114 6.9114 6.9403 6.9403 7.0374 7.0374 7.1629 7.1629 7.6461 7.6461 7.8612 7.8612 8.1384 8.1384 8.4451 8.4451 8.5010 8.5010 8.5797 8.5797 8.7833 8.7833 8.8250 8.8250 8.8503 8.8503 9.1088 9.1088 9.5718 9.5718 9.8265 9.8265 9.9540 9.9540 10.4001 10.4001 10.4444 10.4444 10.6332 10.6332 11.6856 11.6856 12.9077 12.9077 13.3821 13.3821 14.0956 14.0956 14.2884 14.2884 15.4553 15.4553 15.9039 15.9039 k = 0.0000 0.0000 0.5945 ( 3990 PWs) bands (ev): -14.4076 -14.4076 0.6579 0.6579 1.4273 1.4273 1.5023 1.5023 4.6100 4.6100 4.8517 4.8517 5.5607 5.5607 5.6457 5.6457 6.5844 6.5844 6.6494 6.6494 6.6609 6.6609 6.9168 6.9168 6.9546 6.9546 7.0658 7.0658 7.1604 7.1604 7.5841 7.5841 7.8220 7.8220 8.1530 8.1530 8.4577 8.4577 8.5112 8.5112 8.5317 8.5317 8.7247 8.7247 8.8235 8.8235 8.8507 8.8507 9.1089 9.1089 9.5869 9.5869 9.8315 9.8315 9.9628 9.9628 10.3990 10.3990 10.4639 10.4639 10.6564 10.6564 11.7054 11.7054 12.9066 12.9066 13.3795 13.3795 14.0944 14.0944 14.2807 14.2807 15.4032 15.4032 15.8664 15.8664 k = 0.0000 0.0000 0.6125 ( 3978 PWs) bands (ev): -14.4075 -14.4075 0.6570 0.6570 1.4256 1.4256 1.5022 1.5022 4.6299 4.6299 4.8445 4.8445 5.5556 5.5556 5.6408 5.6408 6.6243 6.6243 6.6577 6.6577 6.6635 6.6635 6.9177 6.9177 6.9650 6.9650 7.0963 7.0963 7.1587 7.1587 7.5198 7.5198 7.8013 7.8013 8.1680 8.1680 8.4749 8.4749 8.4922 8.4922 8.5185 8.5185 8.6746 8.6746 8.8222 8.8222 8.8513 8.8513 9.1088 9.1088 9.5978 9.5978 9.8352 9.8352 9.9692 9.9692 10.3983 10.3983 10.4782 10.4782 10.6732 10.6732 11.7200 11.7200 12.9058 12.9058 13.3775 13.3775 14.0937 14.0937 14.2751 14.2751 15.3653 15.3653 15.8394 15.8394 k = 0.0000 0.0000 0.6306 ( 3990 PWs) bands (ev): -14.4074 -14.4074 0.6565 0.6565 1.4245 1.4245 1.5022 1.5022 4.6420 4.6420 4.8402 4.8402 5.5526 5.5526 5.6378 5.6378 6.6509 6.6509 6.6627 6.6627 6.6651 6.6651 6.9168 6.9168 6.9712 6.9712 7.1224 7.1224 7.1577 7.1577 7.4697 7.4697 7.7914 7.7914 8.1799 8.1799 8.4654 8.4654 8.4926 8.4926 8.5231 8.5231 8.6370 8.6370 8.8213 8.8213 8.8517 8.8517 9.1087 9.1087 9.6044 9.6044 9.8374 9.8374 9.9731 9.9731 10.3978 10.3978 10.4869 10.4869 10.6835 10.6835 11.7291 11.7291 12.9053 12.9053 13.3763 13.3763 14.0932 14.0932 14.2718 14.2718 15.3422 15.3422 15.8231 15.8231 k = 0.0000 0.0000 0.6486 ( 3990 PWs) bands (ev): -14.4074 -14.4074 0.6564 0.6564 1.4242 1.4242 1.5022 1.5022 4.6460 4.6460 4.8387 4.8387 5.5515 5.5515 5.6369 5.6369 6.6602 6.6602 6.6644 6.6644 6.6656 6.6656 6.9162 6.9162 6.9733 6.9733 7.1334 7.1334 7.1573 7.1573 7.4501 7.4501 7.7884 7.7884 8.1846 8.1846 8.4557 8.4557 8.5014 8.5014 8.5246 8.5246 8.6216 8.6216 8.8210 8.8210 8.8519 8.8519 9.1087 9.1087 9.6066 9.6066 9.8382 9.8382 9.9744 9.9744 10.3977 10.3977 10.4898 10.4898 10.6869 10.6869 11.7322 11.7322 12.9051 12.9051 13.3759 13.3759 14.0930 14.0930 14.2706 14.2706 15.3345 15.3345 15.8177 15.8177 k = 0.0000 0.0000 0.6486 ( 3990 PWs) bands (ev): -14.4074 -14.4074 0.6564 0.6564 1.4242 1.4242 1.5022 1.5022 4.6460 4.6460 4.8387 4.8387 5.5515 5.5515 5.6369 5.6369 6.6602 6.6602 6.6644 6.6644 6.6656 6.6656 6.9162 6.9162 6.9733 6.9733 7.1334 7.1334 7.1573 7.1573 7.4501 7.4501 7.7884 7.7884 8.1846 8.1846 8.4557 8.4557 8.5014 8.5014 8.5246 8.5246 8.6216 8.6216 8.8210 8.8210 8.8519 8.8519 9.1087 9.1087 9.6066 9.6066 9.8382 9.8382 9.9744 9.9744 10.3977 10.3977 10.4898 10.4898 10.6869 10.6869 11.7322 11.7322 12.9051 12.9051 13.3759 13.3759 14.0930 14.0930 14.2706 14.2706 15.3345 15.3345 15.8177 15.8177 k = 0.0156 0.0090 0.6486 ( 3982 PWs) bands (ev): -14.4074 -14.4074 0.6564 0.6564 1.4243 1.4243 1.5021 1.5021 4.6475 4.6475 4.8395 4.8395 5.5521 5.5521 5.6375 5.6375 6.6549 6.6549 6.6657 6.6657 6.6707 6.6707 6.9165 6.9165 6.9727 6.9727 7.1316 7.1316 7.1568 7.1568 7.4494 7.4494 7.7886 7.7886 8.1851 8.1851 8.4546 8.4546 8.5016 8.5016 8.5241 8.5241 8.6254 8.6254 8.8208 8.8208 8.8516 8.8516 9.1074 9.1074 9.6056 9.6056 9.8380 9.8380 9.9739 9.9739 10.3955 10.3955 10.4881 10.4881 10.6846 10.6846 11.7267 11.7267 12.9046 12.9046 13.3742 13.3742 14.0924 14.0924 14.2702 14.2702 15.3439 15.3439 15.8263 15.8263 k = 0.0312 0.0180 0.6486 ( 3982 PWs) bands (ev): -14.4074 -14.4074 0.6565 0.6565 1.4245 1.4245 1.5020 1.5020 4.6520 4.6520 4.8416 4.8416 5.5538 5.5538 5.6392 5.6392 6.6486 6.6486 6.6661 6.6661 6.6797 6.6797 6.9174 6.9174 6.9710 6.9710 7.1262 7.1262 7.1551 7.1551 7.4472 7.4472 7.7892 7.7892 8.1865 8.1865 8.4506 8.4506 8.5031 8.5031 8.5230 8.5230 8.6358 8.6358 8.8200 8.8200 8.8509 8.8509 9.1037 9.1037 9.6027 9.6027 9.8375 9.8375 9.9727 9.9727 10.3888 10.3888 10.4828 10.4828 10.6778 10.6778 11.7104 11.7104 12.9026 12.9026 13.3693 13.3693 14.0906 14.0906 14.2694 14.2694 15.3718 15.3718 15.8511 15.8511 k = 0.0469 0.0271 0.6486 ( 3974 PWs) bands (ev): -14.4074 -14.4074 0.6566 0.6566 1.4249 1.4249 1.5018 1.5018 4.6595 4.6595 4.8453 4.8453 5.5565 5.5565 5.6422 5.6422 6.6428 6.6428 6.6669 6.6669 6.6900 6.6900 6.9189 6.9189 6.9680 6.9680 7.1175 7.1175 7.1522 7.1522 7.4438 7.4438 7.7902 7.7902 8.1890 8.1890 8.4432 8.4432 8.5073 8.5073 8.5219 8.5219 8.6511 8.6511 8.8182 8.8182 8.8505 8.8505 9.0975 9.0975 9.5979 9.5979 9.8366 9.8366 9.9707 9.9707 10.3774 10.3774 10.4743 10.4743 10.6667 10.6667 11.6839 11.6839 12.8988 12.8988 13.3623 13.3623 14.0879 14.0879 14.2687 14.2687 15.4168 15.4168 15.8891 15.8891 k = 0.0625 0.0361 0.6486 ( 3970 PWs) bands (ev): -14.4074 -14.4074 0.6568 0.6568 1.4255 1.4255 1.5015 1.5015 4.6699 4.6699 4.8503 4.8503 5.5603 5.5603 5.6464 5.6464 6.6372 6.6372 6.6679 6.6679 6.7013 6.7013 6.9212 6.9212 6.9638 6.9638 7.1057 7.1057 7.1483 7.1483 7.4394 7.4394 7.7918 7.7918 8.1926 8.1926 8.4327 8.4327 8.5111 8.5111 8.5242 8.5242 8.6697 8.6697 8.8146 8.8146 8.8511 8.8511 9.0889 9.0889 9.5912 9.5912 9.8355 9.8355 9.9681 9.9681 10.3609 10.3609 10.4626 10.4626 10.6517 10.6517 11.6482 11.6482 12.8921 12.8921 13.3550 13.3550 14.0851 14.0851 14.2689 14.2689 15.4772 15.4772 15.9366 15.9366 k = 0.0781 0.0451 0.6486 ( 3970 PWs) bands (ev): -14.4073 -14.4073 0.6570 0.6570 1.4262 1.4262 1.5012 1.5012 4.6831 4.6831 4.8568 4.8568 5.5652 5.5652 5.6518 5.6518 6.6315 6.6315 6.6692 6.6692 6.7134 6.7134 6.9243 6.9243 6.9583 6.9583 7.0912 7.0912 7.1433 7.1433 7.4342 7.4342 7.7940 7.7940 8.1972 8.1972 8.4204 8.4204 8.5097 8.5097 8.5341 8.5341 8.6903 8.6903 8.8089 8.8089 8.8532 8.8532 9.0779 9.0779 9.5827 9.5827 9.8343 9.8343 9.9652 9.9652 10.3393 10.3393 10.4473 10.4473 10.6335 10.6335 11.6047 11.6047 12.8817 12.8817 13.3492 13.3492 14.0827 14.0827 14.2705 14.2705 15.5509 15.5509 15.9908 15.9908 k = 0.0938 0.0541 0.6486 ( 3970 PWs) bands (ev): -14.4073 -14.4073 0.6573 0.6573 1.4271 1.4271 1.5008 1.5008 4.6992 4.6992 4.8648 4.8648 5.5711 5.5711 5.6585 5.6585 6.6257 6.6257 6.6708 6.6708 6.7260 6.7260 6.9282 6.9282 6.9516 6.9516 7.0746 7.0746 7.1371 7.1371 7.4287 7.4287 7.7971 7.7971 8.2028 8.2028 8.4071 8.4071 8.5056 8.5056 8.5480 8.5480 8.7118 8.7118 8.8014 8.8014 8.8571 8.8571 9.0648 9.0648 9.5725 9.5725 9.8328 9.8328 9.9620 9.9620 10.3126 10.3126 10.4278 10.4278 10.6133 10.6133 11.5548 11.5548 12.8663 12.8663 13.3467 13.3467 14.0817 14.0817 14.2737 14.2737 15.6359 15.6359 16.0505 16.0505 k = 0.1094 0.0631 0.6486 ( 3972 PWs) bands (ev): -14.4073 -14.4073 0.6576 0.6576 1.4281 1.4281 1.5004 1.5004 4.7180 4.7180 4.8741 4.8741 5.5780 5.5780 5.6664 5.6664 6.6194 6.6194 6.6728 6.6728 6.7385 6.7385 6.9317 6.9317 6.9450 6.9450 7.0567 7.0567 7.1300 7.1300 7.4234 7.4234 7.8011 7.8011 8.2093 8.2093 8.3935 8.3935 8.5003 8.5003 8.5634 8.5634 8.7329 8.7329 8.7928 8.7928 8.8627 8.8627 9.0497 9.0497 9.5608 9.5608 9.8312 9.8312 9.9588 9.9588 10.2814 10.2814 10.4027 10.4027 10.5925 10.5925 11.5002 11.5002 12.8453 12.8453 13.3490 13.3490 14.0829 14.0829 14.2784 14.2784 15.7301 15.7301 16.1164 16.1164 k = 0.1250 0.0722 0.6486 ( 3972 PWs) bands (ev): -14.4072 -14.4072 0.6579 0.6579 1.4291 1.4291 1.4999 1.4999 4.7395 4.7395 4.8848 4.8848 5.5858 5.5858 5.6755 5.6755 6.6123 6.6123 6.6750 6.6750 6.7500 6.7500 6.9269 6.9269 6.9461 6.9461 7.0384 7.0384 7.1218 7.1218 7.4187 7.4187 7.8062 7.8062 8.2164 8.2164 8.3798 8.3798 8.4941 8.4941 8.5790 8.5790 8.7515 8.7515 8.7849 8.7849 8.8696 8.8696 9.0334 9.0334 9.5478 9.5478 9.8293 9.8293 9.9558 9.9558 10.2463 10.2463 10.3706 10.3706 10.5726 10.5726 11.4425 11.4425 12.8182 12.8182 13.3569 13.3569 14.0869 14.0869 14.2844 14.2844 15.8313 15.8313 16.1892 16.1892 k = 0.1406 0.0812 0.6486 ( 3970 PWs) bands (ev): -14.4072 -14.4072 0.6583 0.6583 1.4303 1.4303 1.4995 1.4995 4.7634 4.7634 4.8969 4.8969 5.5947 5.5947 5.6858 5.6858 6.6042 6.6042 6.6777 6.6777 6.7599 6.7599 6.9142 6.9142 6.9547 6.9547 7.0210 7.0210 7.1130 7.1130 7.4150 7.4150 7.8123 7.8123 8.2237 8.2237 8.3665 8.3665 8.4871 8.4871 8.5931 8.5931 8.7596 8.7596 8.7855 8.7855 8.8777 8.8777 9.0167 9.0167 9.5336 9.5336 9.8270 9.8270 9.9531 9.9531 10.2085 10.2085 10.3310 10.3310 10.5548 10.5548 11.3831 11.3831 12.7851 12.7851 13.3706 13.3706 14.0939 14.0939 14.2915 14.2915 15.9378 15.9378 16.2696 16.2696 k = 0.1562 0.0902 0.6486 ( 3972 PWs) bands (ev): -14.4072 -14.4072 0.6587 0.6587 1.4316 1.4316 1.4991 1.4991 4.7897 4.7897 4.9103 4.9103 5.6045 5.6045 5.6973 5.6973 6.5948 6.5948 6.6806 6.6806 6.7670 6.7670 6.8980 6.8980 6.9661 6.9661 7.0058 7.0058 7.1036 7.1036 7.4129 7.4129 7.8197 7.8197 8.2306 8.2306 8.3538 8.3538 8.4795 8.4795 8.6041 8.6041 8.7543 8.7543 8.7977 8.7977 8.8858 8.8858 9.0017 9.0017 9.5184 9.5184 9.8240 9.8240 9.9503 9.9503 10.1692 10.1692 10.2838 10.2838 10.5394 10.5394 11.3234 11.3234 12.7465 12.7465 13.3899 13.3899 14.1041 14.1041 14.2993 14.2993 16.0475 16.0475 16.3581 16.3581 k = 0.1719 0.0992 0.6486 ( 3968 PWs) bands (ev): -14.4071 -14.4071 0.6592 0.6592 1.4328 1.4328 1.4988 1.4988 4.8182 4.8182 4.9251 4.9251 5.6153 5.6153 5.7100 5.7100 6.5837 6.5837 6.6837 6.6837 6.7705 6.7705 6.8794 6.8794 6.9768 6.9768 6.9958 6.9958 7.0943 7.0943 7.4128 7.4128 7.8282 7.8282 8.2365 8.2365 8.3423 8.3423 8.4713 8.4713 8.6096 8.6096 8.7461 8.7461 8.8108 8.8108 8.8924 8.8924 8.9914 8.9914 9.5025 9.5025 9.8198 9.8198 9.9466 9.9466 10.1308 10.1308 10.2303 10.2303 10.5264 10.5264 11.2644 11.2644 12.7030 12.7030 13.4142 13.4142 14.1174 14.1174 14.3076 14.3076 16.1592 16.1592 16.4543 16.4543 k = 0.1875 0.1083 0.6486 ( 3960 PWs) bands (ev): -14.4071 -14.4071 0.6597 0.6597 1.4342 1.4342 1.4985 1.4985 4.8485 4.8485 4.9412 4.9412 5.6273 5.6273 5.7237 5.7237 6.5706 6.5706 6.6870 6.6870 6.7698 6.7698 6.8598 6.8598 6.9744 6.9744 7.0029 7.0029 7.0856 7.0856 7.4150 7.4150 7.8379 7.8379 8.2403 8.2403 8.3327 8.3327 8.4627 8.4627 8.6076 8.6076 8.7376 8.7376 8.8217 8.8217 8.8962 8.8962 8.9892 8.9892 9.4860 9.4860 9.8136 9.8136 9.9395 9.9395 10.0967 10.0967 10.1726 10.1726 10.5153 10.5153 11.2067 11.2067 12.6552 12.6552 13.4428 13.4428 14.1334 14.1334 14.3163 14.3163 16.2717 16.2717 16.5572 16.5572 k = 0.2031 0.1173 0.6486 ( 3952 PWs) bands (ev): -14.4070 -14.4070 0.6601 0.6601 1.4355 1.4355 1.4983 1.4983 4.8805 4.8805 4.9585 4.9585 5.6404 5.6404 5.7384 5.7384 6.5550 6.5550 6.6901 6.6901 6.7643 6.7643 6.8410 6.8410 6.9657 6.9657 7.0177 7.0177 7.0793 7.0793 7.4199 7.4199 7.8488 7.8488 8.2406 8.2406 8.3260 8.3260 8.4539 8.4539 8.5974 8.5974 8.7266 8.7266 8.8307 8.8307 8.8989 8.8989 8.9954 8.9954 9.4692 9.4692 9.8041 9.8041 9.9248 9.9248 10.0713 10.0713 10.1142 10.1142 10.5056 10.5056 11.1507 11.1507 12.6037 12.6037 13.4751 13.4751 14.1518 14.1518 14.3252 14.3252 16.3845 16.3845 16.6645 16.6645 k = 0.2188 0.1263 0.6486 ( 3956 PWs) bands (ev): -14.4070 -14.4070 0.6607 0.6607 1.4368 1.4368 1.4982 1.4982 4.9138 4.9138 4.9772 4.9772 5.6547 5.6547 5.7541 5.7541 6.5366 6.5366 6.6925 6.6925 6.7545 6.7545 6.8245 6.8245 6.9573 6.9573 7.0298 7.0298 7.0788 7.0788 7.4277 7.4277 7.8610 7.8610 8.2364 8.2364 8.3226 8.3226 8.4449 8.4449 8.5792 8.5792 8.7103 8.7103 8.8391 8.8391 8.9038 8.9038 9.0074 9.0074 9.4523 9.4523 9.7896 9.7896 9.8994 9.8994 10.0458 10.0458 10.0717 10.0717 10.4970 10.4970 11.0966 11.0966 12.5491 12.5491 13.5103 13.5103 14.1720 14.1720 14.3345 14.3345 16.4975 16.4975 16.7731 16.7731 k = 0.2344 0.1353 0.6486 ( 3956 PWs) bands (ev): -14.4069 -14.4069 0.6612 0.6612 1.4381 1.4381 1.4982 1.4982 4.9479 4.9479 4.9973 4.9973 5.6704 5.6704 5.7706 5.7706 6.5151 6.5151 6.6928 6.6928 6.7428 6.7428 6.8105 6.8105 6.9495 6.9495 7.0339 7.0339 7.0880 7.0880 7.4387 7.4387 7.8742 7.8742 8.2277 8.2277 8.3219 8.3219 8.4362 8.4362 8.5535 8.5535 8.6884 8.6884 8.8482 8.8482 8.9119 8.9119 9.0226 9.0226 9.4353 9.4353 9.7679 9.7679 9.8633 9.8633 10.0001 10.0001 10.0693 10.0693 10.4893 10.4893 11.0446 11.0446 12.4919 12.4919 13.5478 13.5478 14.1933 14.1933 14.3442 14.3442 16.6105 16.6105 16.8791 16.8791 k = 0.2500 0.1443 0.6486 ( 3956 PWs) bands (ev): -14.4068 -14.4068 0.6617 0.6617 1.4393 1.4393 1.4983 1.4983 4.9821 4.9821 5.0190 5.0190 5.6874 5.6874 5.7879 5.7879 6.4903 6.4903 6.6884 6.6884 6.7335 6.7335 6.7983 6.7983 6.9422 6.9422 7.0320 7.0320 7.1045 7.1045 7.4529 7.4529 7.8885 7.8885 8.2154 8.2154 8.3224 8.3224 8.4281 8.4281 8.5203 8.5203 8.6635 8.6635 8.8579 8.8579 8.9226 8.9226 9.0391 9.0391 9.4186 9.4186 9.7380 9.7380 9.8178 9.8178 9.9632 9.9632 10.0805 10.0805 10.4821 10.4821 10.9945 10.9945 12.4323 12.4323 13.5870 13.5870 14.2149 14.2149 14.3546 14.3546 16.7228 16.7228 16.9785 16.9785 k = 0.2656 0.1534 0.6486 ( 3960 PWs) bands (ev): -14.4068 -14.4068 0.6622 0.6622 1.4404 1.4404 1.4986 1.4986 5.0152 5.0152 5.0430 5.0430 5.7059 5.7059 5.8061 5.8061 6.4624 6.4624 6.6776 6.6776 6.7294 6.7294 6.7876 6.7876 6.9352 6.9352 7.0284 7.0284 7.1234 7.1234 7.4705 7.4705 7.9037 7.9037 8.2001 8.2001 8.3218 8.3218 8.4210 8.4210 8.4801 8.4801 8.6384 8.6384 8.8676 8.8676 8.9343 8.9343 9.0562 9.0562 9.4023 9.4023 9.7012 9.7012 9.7650 9.7650 9.9400 9.9400 10.0987 10.0987 10.4755 10.4755 10.9463 10.9463 12.3708 12.3708 13.6275 13.6275 14.2361 14.2361 14.3661 14.3661 16.8321 16.8321 17.0686 17.0686 k = 0.2812 0.1624 0.6486 ( 3968 PWs) bands (ev): -14.4067 -14.4067 0.6628 0.6628 1.4415 1.4415 1.4989 1.4989 5.0454 5.0454 5.0706 5.0706 5.7256 5.7256 5.8252 5.8252 6.4317 6.4317 6.6630 6.6630 6.7282 6.7282 6.7786 6.7786 6.9284 6.9284 7.0249 7.0249 7.1426 7.1426 7.4911 7.4911 7.9197 7.9197 8.1824 8.1824 8.3178 8.3178 8.4151 8.4151 8.4349 8.4349 8.6153 8.6153 8.8765 8.8765 8.9455 8.9455 9.0735 9.0735 9.3866 9.3866 9.6601 9.6601 9.7091 9.7091 9.9277 9.9277 10.1218 10.1218 10.4692 10.4692 10.8999 10.8999 12.3077 12.3077 13.6686 13.6686 14.2558 14.2558 14.3792 14.3792 16.9333 16.9333 17.1504 17.1504 k = 0.2969 0.1714 0.6486 ( 3966 PWs) bands (ev): -14.4067 -14.4067 0.6633 0.6633 1.4425 1.4425 1.4993 1.4993 5.0723 5.0723 5.1015 5.1015 5.7465 5.7465 5.8453 5.8453 6.3989 6.3989 6.6473 6.6473 6.7260 6.7260 6.7728 6.7728 6.9220 6.9220 7.0222 7.0222 7.1613 7.1613 7.5146 7.5146 7.9362 7.9362 8.1618 8.1618 8.3059 8.3059 8.3887 8.3887 8.4119 8.4119 8.5954 8.5954 8.8844 8.8844 8.9550 8.9550 9.0911 9.0911 9.3716 9.3716 9.6169 9.6169 9.6540 9.6540 9.9227 9.9227 10.1485 10.1485 10.4633 10.4633 10.8555 10.8555 12.2434 12.2434 13.7100 13.7100 14.2732 14.2732 14.3943 14.3943 17.0154 17.0154 17.2324 17.2324 k = 0.3125 0.1804 0.6486 ( 3958 PWs) bands (ev): -14.4066 -14.4066 0.6638 0.6638 1.4434 1.4434 1.4999 1.4999 5.0973 5.0973 5.1338 5.1338 5.7682 5.7682 5.8667 5.8667 6.3646 6.3646 6.6316 6.6316 6.7204 6.7204 6.7713 6.7713 6.9159 6.9159 7.0202 7.0202 7.1791 7.1791 7.5404 7.5404 7.9526 7.9526 8.1376 8.1376 8.2780 8.2780 8.3543 8.3543 8.4090 8.4090 8.5790 8.5790 8.8908 8.8908 8.9619 8.9619 9.1088 9.1088 9.3573 9.3573 9.5728 9.5728 9.6033 9.6033 9.9227 9.9227 10.1778 10.1778 10.4579 10.4579 10.8133 10.8133 12.1782 12.1782 13.7510 13.7510 14.2877 14.2877 14.4115 14.4115 17.0667 17.0667 17.3268 17.3268 k = 0.3281 0.1894 0.6486 ( 3958 PWs) bands (ev): -14.4066 -14.4066 0.6643 0.6643 1.4442 1.4442 1.5005 1.5005 5.1215 5.1215 5.1657 5.1657 5.7899 5.7899 5.8899 5.8899 6.3295 6.3295 6.6166 6.6166 6.7116 6.7116 6.7737 6.7737 6.9104 6.9104 7.0190 7.0190 7.1961 7.1961 7.5682 7.5682 7.9678 7.9678 8.1079 8.1079 8.2350 8.2350 8.3342 8.3342 8.4070 8.4070 8.5665 8.5665 8.8948 8.8948 8.9662 8.9662 9.1263 9.1263 9.3436 9.3436 9.5282 9.5282 9.5594 9.5594 9.9265 9.9265 10.2083 10.2083 10.4530 10.4530 10.7735 10.7735 12.1124 12.1124 13.7913 13.7913 14.2992 14.2992 14.4305 14.4305 17.0871 17.0871 17.4362 17.4362 k = 0.3438 0.1985 0.6486 ( 3962 PWs) bands (ev): -14.4065 -14.4065 0.6648 0.6648 1.4450 1.4450 1.5011 1.5011 5.1451 5.1451 5.1964 5.1964 5.8109 5.8109 5.9150 5.9150 6.2946 6.2946 6.6022 6.6022 6.7009 6.7009 6.7783 6.7783 6.9056 6.9056 7.0185 7.0185 7.2124 7.2124 7.5971 7.5971 7.9781 7.9781 8.0725 8.0725 8.1909 8.1909 8.3202 8.3202 8.4049 8.4049 8.5581 8.5581 8.8956 8.8956 8.9687 8.9687 9.1432 9.1432 9.3297 9.3297 9.4853 9.4853 9.5227 9.5227 9.9335 9.9335 10.2385 10.2385 10.4492 10.4492 10.7368 10.7368 12.0467 12.0467 13.8303 13.8303 14.3080 14.3080 14.4508 14.4508 17.0857 17.0857 17.5554 17.5554 k = 0.3594 0.2075 0.6486 ( 3966 PWs) bands (ev): -14.4065 -14.4065 0.6652 0.6652 1.4456 1.4456 1.5018 1.5018 5.1681 5.1681 5.2252 5.2252 5.8306 5.8306 5.9421 5.9421 6.2609 6.2609 6.5888 6.5888 6.6896 6.6896 6.7837 6.7837 6.9016 6.9016 7.0183 7.0183 7.2283 7.2283 7.6267 7.6267 7.9681 7.9681 8.0450 8.0450 8.1538 8.1538 8.3079 8.3079 8.4027 8.4027 8.5537 8.5537 8.8919 8.8919 8.9710 8.9710 9.1591 9.1591 9.3142 9.3142 9.4473 9.4473 9.4923 9.4923 9.9432 9.9432 10.2658 10.2658 10.4472 10.4472 10.7040 10.7040 11.9815 11.9815 13.8677 13.8677 14.3145 14.3145 14.4714 14.4714 17.0710 17.0710 17.6795 17.6795 k = 0.3750 0.2165 0.6486 ( 3974 PWs) bands (ev): -14.4064 -14.4064 0.6656 0.6656 1.4462 1.4462 1.5025 1.5025 5.1901 5.1901 5.2520 5.2520 5.8483 5.8483 5.9704 5.9704 6.2295 6.2295 6.5762 6.5762 6.6785 6.6785 6.7891 6.7891 6.8987 6.8987 7.0184 7.0184 7.2441 7.2441 7.6561 7.6561 7.9222 7.9222 8.0434 8.0434 8.1240 8.1240 8.2960 8.2960 8.4002 8.4002 8.5527 8.5527 8.8829 8.8829 8.9746 8.9746 9.1736 9.1736 9.2951 9.2951 9.4167 9.4167 9.4678 9.4678 9.9557 9.9557 10.2871 10.2871 10.4486 10.4486 10.6765 10.6765 11.9175 11.9175 13.9028 13.9028 14.3192 14.3192 14.4917 14.4917 17.0488 17.0488 17.8053 17.8053 k = 0.3906 0.2255 0.6486 ( 3966 PWs) bands (ev): -14.4064 -14.4064 0.6660 0.6660 1.4467 1.4467 1.5031 1.5031 5.2109 5.2109 5.2765 5.2765 5.8639 5.8639 5.9979 5.9979 6.2025 6.2025 6.5646 6.5646 6.6679 6.6679 6.7938 6.7938 6.8971 6.8971 7.0186 7.0186 7.2603 7.2603 7.6836 7.6836 7.8614 7.8614 8.0509 8.0509 8.1003 8.1003 8.2844 8.2844 8.3981 8.3981 8.5548 8.5548 8.8693 8.8693 8.9799 8.9799 9.1860 9.1860 9.2721 9.2721 9.3935 9.3935 9.4497 9.4497 9.9706 9.9706 10.2988 10.2988 10.4543 10.4543 10.6560 10.6560 11.8555 11.8555 13.9354 13.9354 14.3225 14.3225 14.5109 14.5109 17.0233 17.0233 17.9304 17.9304 k = 0.4062 0.2345 0.6486 ( 3966 PWs) bands (ev): -14.4064 -14.4064 0.6663 0.6663 1.4471 1.4471 1.5038 1.5038 5.2299 5.2299 5.2985 5.2985 5.8773 5.8773 6.0209 6.0209 6.1829 6.1829 6.5541 6.5541 6.6582 6.6582 6.7974 6.7974 6.8968 6.8968 7.0189 7.0189 7.2771 7.2771 7.7032 7.7032 7.8042 7.8042 8.0512 8.0512 8.0875 8.0875 8.2730 8.2730 8.3966 8.3966 8.5591 8.5591 8.8524 8.8524 8.9869 8.9869 9.1942 9.1942 9.2489 9.2489 9.3752 9.3752 9.4379 9.4379 9.9879 9.9879 10.2992 10.2992 10.4633 10.4633 10.6445 10.6445 11.7966 11.7966 13.9648 13.9648 14.3247 14.3247 14.5286 14.5286 16.9974 16.9974 18.0524 18.0524 k = 0.4219 0.2436 0.6486 ( 3968 PWs) bands (ev): -14.4064 -14.4064 0.6666 0.6666 1.4475 1.4475 1.5043 1.5043 5.2467 5.2467 5.3181 5.3181 5.8885 5.8885 6.0344 6.0344 6.1753 6.1753 6.5448 6.5448 6.6497 6.6497 6.7996 6.7996 6.8977 6.8977 7.0190 7.0190 7.2953 7.2953 7.6884 7.6884 7.7812 7.7812 8.0360 8.0360 8.0902 8.0902 8.2623 8.2623 8.3962 8.3962 8.5650 8.5650 8.8338 8.8338 8.9953 8.9953 9.1903 9.1903 9.2360 9.2360 9.3592 9.3592 9.4318 9.4318 10.0074 10.0074 10.2896 10.2896 10.4720 10.4720 10.6433 10.6433 11.7421 11.7421 13.9908 13.9908 14.3260 14.3260 14.5443 14.5443 16.9729 16.9729 18.1683 18.1683 k = 0.4375 0.2526 0.6486 ( 3962 PWs) bands (ev): -14.4063 -14.4063 0.6669 0.6669 1.4477 1.4477 1.5048 1.5048 5.2610 5.2610 5.3350 5.3350 5.8977 5.8977 6.0357 6.0357 6.1812 6.1812 6.5368 6.5368 6.6425 6.6425 6.8006 6.8006 6.8997 6.8997 7.0190 7.0190 7.3154 7.3154 7.6368 7.6368 7.7969 7.7969 8.0148 8.0148 8.0979 8.0979 8.2527 8.2527 8.3967 8.3967 8.5717 8.5717 8.8151 8.8151 9.0050 9.0050 9.1710 9.1710 9.2387 9.2387 9.3441 9.3441 9.4297 9.4297 10.0285 10.0285 10.2731 10.2731 10.4776 10.4776 10.6512 10.6512 11.6934 11.6934 14.0128 14.0128 14.3267 14.3267 14.5576 14.5576 16.9514 16.9514 18.2745 18.2745 k = 0.4531 0.2616 0.6486 ( 3970 PWs) bands (ev): -14.4063 -14.4063 0.6670 0.6670 1.4480 1.4480 1.5052 1.5052 5.2724 5.2724 5.3487 5.3487 5.9048 5.9048 6.0292 6.0292 6.1952 6.1952 6.5302 6.5302 6.6368 6.6368 6.8005 6.8005 6.9022 6.9022 7.0189 7.0189 7.3382 7.3382 7.5798 7.5798 7.8213 7.8213 7.9922 7.9922 8.1051 8.1051 8.2445 8.2445 8.3979 8.3979 8.5786 8.5786 8.7979 8.7979 9.0157 9.0157 9.1478 9.1478 9.2474 9.2474 9.3298 9.3298 9.4297 9.4297 10.0506 10.0506 10.2526 10.2526 10.4799 10.4799 10.6644 10.6644 11.6524 11.6524 14.0305 14.0305 14.3269 14.3269 14.5682 14.5682 16.9338 16.9338 18.3658 18.3658 k = 0.4688 0.2706 0.6486 ( 3974 PWs) bands (ev): -14.4063 -14.4063 0.6672 0.6672 1.4481 1.4481 1.5055 1.5055 5.2806 5.2806 5.3591 5.3591 5.9100 5.9100 6.0208 6.0208 6.2100 6.2100 6.5253 6.5253 6.6326 6.6326 6.8000 6.8000 6.9046 6.9046 7.0187 7.0187 7.3646 7.3646 7.5260 7.5260 7.8462 7.8462 7.9699 7.9699 8.1106 8.1106 8.2383 8.2383 8.3992 8.3992 8.5848 8.5848 8.7837 8.7837 9.0268 9.0268 9.1265 9.1265 9.2572 9.2572 9.3167 9.3167 9.4306 9.4306 10.0720 10.0720 10.2313 10.2313 10.4804 10.4804 10.6781 10.6781 11.6211 11.6211 14.0434 14.0434 14.3269 14.3269 14.5760 14.5760 16.9208 16.9208 18.4349 18.4349 k = 0.4844 0.2797 0.6486 ( 3970 PWs) bands (ev): -14.4063 -14.4063 0.6673 0.6673 1.4482 1.4482 1.5057 1.5057 5.2856 5.2856 5.3655 5.3655 5.9132 5.9132 6.0145 6.0145 6.2206 6.2206 6.5222 6.5222 6.6301 6.6301 6.7994 6.7994 6.9063 6.9063 7.0186 7.0186 7.3950 7.3950 7.4782 7.4782 7.8677 7.8677 7.9501 7.9501 8.1140 8.1140 8.2343 8.2343 8.4003 8.4003 8.5892 8.5892 8.7743 8.7743 9.0366 9.0366 9.1102 9.1102 9.2664 9.2664 9.3058 9.3058 9.4314 9.4314 10.0896 10.0896 10.2134 10.2134 10.4802 10.4802 10.6881 10.6881 11.6014 11.6014 14.0513 14.0513 14.3268 14.3268 14.5807 14.5807 16.9128 16.9128 18.4706 18.4706 k = 0.5000 0.2887 0.6486 ( 3976 PWs) bands (ev): -14.4063 -14.4063 0.6673 0.6673 1.4482 1.4482 1.5057 1.5057 5.2872 5.2872 5.3677 5.3677 5.9142 5.9142 6.0122 6.0122 6.2245 6.2245 6.5212 6.5212 6.6293 6.6293 6.7991 6.7991 6.9070 6.9070 7.0185 7.0185 7.4213 7.4213 7.4459 7.4459 7.8779 7.8779 7.9406 7.9406 8.1151 8.1151 8.2330 8.2330 8.4007 8.4007 8.5908 8.5908 8.7710 8.7710 9.0410 9.0410 9.1035 9.1035 9.2709 9.2709 9.3007 9.3007 9.4317 9.4317 10.0969 10.0969 10.2059 10.2059 10.4801 10.4801 10.6917 10.6917 11.5946 11.5946 14.0539 14.0539 14.3267 14.3267 14.5823 14.5823 16.9101 16.9101 18.4768 18.4768 k = 0.5000 0.2887 0.6486 ( 3976 PWs) bands (ev): -14.4063 -14.4063 0.6673 0.6673 1.4482 1.4482 1.5057 1.5057 5.2872 5.2872 5.3677 5.3677 5.9142 5.9142 6.0122 6.0122 6.2245 6.2245 6.5212 6.5212 6.6293 6.6293 6.7991 6.7991 6.9070 6.9070 7.0185 7.0185 7.4213 7.4213 7.4459 7.4459 7.8779 7.8779 7.9406 7.9406 8.1151 8.1151 8.2330 8.2330 8.4007 8.4007 8.5908 8.5908 8.7710 8.7710 9.0410 9.0410 9.1035 9.1035 9.2709 9.2709 9.3007 9.3007 9.4317 9.4317 10.0969 10.0969 10.2059 10.2059 10.4801 10.4801 10.6917 10.6917 11.5946 11.5946 14.0539 14.0539 14.3267 14.3267 14.5823 14.5823 16.9101 16.9101 18.4768 18.4768 k = 0.4912 0.3039 0.6486 ( 3972 PWs) bands (ev): -14.4063 -14.4063 0.6673 0.6673 1.4483 1.4483 1.5057 1.5057 5.2885 5.2885 5.3692 5.3692 5.9144 5.9144 6.0111 6.0111 6.2236 6.2236 6.5215 6.5215 6.6293 6.6293 6.7963 6.7963 6.9084 6.9084 7.0175 7.0175 7.3871 7.3871 7.4804 7.4804 7.8756 7.8756 7.9414 7.9414 8.1182 8.1182 8.2299 8.2299 8.4053 8.4053 8.5901 8.5901 8.7727 8.7727 9.0397 9.0397 9.1052 9.1052 9.2665 9.2665 9.3040 9.3040 9.4316 9.4316 10.0933 10.0933 10.2065 10.2065 10.4783 10.4783 10.6939 10.6939 11.5948 11.5948 14.0437 14.0437 14.2872 14.2872 14.6307 14.6307 16.9186 16.9186 18.4738 18.4738 k = 0.4825 0.3191 0.6486 ( 3980 PWs) bands (ev): -14.4063 -14.4063 0.6674 0.6674 1.4486 1.4486 1.5055 1.5055 5.2924 5.2924 5.3736 5.3736 5.9151 5.9151 6.0077 6.0077 6.2211 6.2211 6.5224 6.5224 6.6294 6.6294 6.7883 6.7883 6.9123 6.9123 7.0148 7.0148 7.3434 7.3434 7.5247 7.5247 7.8692 7.8692 7.9437 7.9437 8.1269 8.1269 8.2216 8.2216 8.4179 8.4179 8.5881 8.5881 8.7776 8.7776 9.0361 9.0361 9.1099 9.1099 9.2568 9.2568 9.3109 9.3109 9.4312 9.4312 10.0838 10.0838 10.2067 10.2067 10.4735 10.4735 10.7004 10.7004 11.5954 11.5954 14.0134 14.0134 14.2107 14.2107 14.7340 14.7340 16.9436 16.9436 18.4651 18.4651 k = 0.4737 0.3343 0.6486 ( 3984 PWs) bands (ev): -14.4063 -14.4063 0.6675 0.6675 1.4492 1.4492 1.5051 1.5051 5.2988 5.2988 5.3811 5.3811 5.9161 5.9161 6.0021 6.0021 6.2168 6.2168 6.5239 6.5239 6.6296 6.6296 6.7765 6.7765 6.9175 6.9175 7.0105 7.0105 7.2998 7.2998 7.5694 7.5694 7.8596 7.8596 7.9475 7.9475 8.1402 8.1402 8.2106 8.2106 8.4364 8.4364 8.5850 8.5850 8.7854 8.7854 9.0313 9.0313 9.1165 9.1165 9.2447 9.2447 9.3183 9.3183 9.4306 9.4306 10.0704 10.0704 10.2036 10.2036 10.4668 10.4668 10.7110 10.7110 11.5963 11.5963 13.9650 13.9650 14.1310 14.1310 14.8576 14.8576 16.9840 16.9840 18.4507 18.4507 k = 0.4649 0.3494 0.6486 ( 3978 PWs) bands (ev): -14.4063 -14.4063 0.6676 0.6676 1.4499 1.4499 1.5046 1.5046 5.3075 5.3075 5.3918 5.3918 5.9172 5.9172 5.9946 5.9946 6.2109 6.2109 6.5257 6.5257 6.6297 6.6297 6.7619 6.7619 6.9228 6.9228 7.0050 7.0050 7.2566 7.2566 7.6135 7.6135 7.8482 7.8482 7.9523 7.9523 8.1566 8.1566 8.1991 8.1991 8.4585 8.4585 8.5812 8.5812 8.7956 8.7956 9.0263 9.0263 9.1243 9.1243 9.2315 9.2315 9.3250 9.3250 9.4297 9.4297 10.0553 10.0553 10.1940 10.1940 10.4596 10.4596 10.7259 10.7259 11.5975 11.5975 13.9033 13.9033 14.0545 14.0545 14.9918 14.9918 17.0377 17.0377 18.4312 18.4312 k = 0.4561 0.3646 0.6486 ( 3970 PWs) bands (ev): -14.4063 -14.4063 0.6678 0.6678 1.4507 1.4507 1.5040 1.5040 5.3183 5.3183 5.4057 5.4057 5.9183 5.9183 5.9853 5.9853 6.2033 6.2033 6.5277 6.5277 6.6298 6.6298 6.7458 6.7458 6.9274 6.9274 6.9990 6.9990 7.2142 7.2142 7.6562 7.6562 7.8366 7.8366 7.9573 7.9573 8.1750 8.1750 8.1891 8.1891 8.4829 8.4829 8.5771 8.5771 8.8074 8.8074 9.0220 9.0220 9.1323 9.1323 9.2180 9.2180 9.3307 9.3307 9.4285 9.4285 10.0397 10.0397 10.1760 10.1760 10.4528 10.4528 10.7448 10.7448 11.5986 11.5986 13.8349 13.8349 13.9797 13.9797 15.1332 15.1332 17.1025 17.1025 18.4074 18.4074 k = 0.4474 0.3798 0.6486 ( 3970 PWs) bands (ev): -14.4063 -14.4063 0.6680 0.6680 1.4518 1.4518 1.5033 1.5033 5.3310 5.3310 5.4230 5.4230 5.9187 5.9187 5.9751 5.9751 6.1942 6.1942 6.5294 6.5294 6.6297 6.6297 6.7291 6.7291 6.9305 6.9305 6.9932 6.9932 7.1725 7.1725 7.6959 7.6959 7.8271 7.8271 7.9615 7.9615 8.1807 8.1807 8.1952 8.1952 8.5083 8.5083 8.5729 8.5729 8.8202 8.8202 9.0193 9.0193 9.1396 9.1396 9.2050 9.2050 9.3350 9.3350 9.4272 9.4272 10.0242 10.0242 10.1494 10.1494 10.4467 10.4467 10.7680 10.7680 11.5995 11.5995 13.7654 13.7654 13.9047 13.9047 15.2804 15.2804 17.1758 17.1758 18.3801 18.3801 k = 0.4386 0.3950 0.6486 ( 3966 PWs) bands (ev): -14.4063 -14.4063 0.6682 0.6682 1.4530 1.4530 1.5025 1.5025 5.3455 5.3455 5.4435 5.4435 5.9170 5.9170 5.9652 5.9652 6.1836 6.1836 6.5305 6.5305 6.6292 6.6292 6.7128 6.7128 6.9311 6.9311 6.9886 6.9886 7.1319 7.1319 7.7282 7.7282 7.8242 7.8242 7.9644 7.9644 8.1767 8.1767 8.2149 8.2149 8.5341 8.5341 8.5690 8.5690 8.8330 8.8330 9.0189 9.0189 9.1444 9.1444 9.1944 9.1944 9.3377 9.3377 9.4259 9.4259 10.0084 10.0084 10.1159 10.1159 10.4407 10.4407 10.7953 10.7953 11.5998 11.5998 13.6981 13.6981 13.8290 13.8290 15.4322 15.4322 17.2551 17.2551 18.3502 18.3502 k = 0.4298 0.4102 0.6486 ( 3954 PWs) bands (ev): -14.4062 -14.4062 0.6684 0.6684 1.4543 1.4543 1.5015 1.5015 5.3615 5.3615 5.4674 5.4674 5.9111 5.9111 5.9579 5.9579 6.1715 6.1715 6.5302 6.5302 6.6282 6.6282 6.6983 6.6983 6.9291 6.9291 6.9858 6.9858 7.0923 7.0923 7.7456 7.7456 7.8356 7.8356 7.9653 7.9653 8.1763 8.1763 8.2343 8.2343 8.5584 8.5584 8.5669 8.5669 8.8451 8.8451 9.0218 9.0218 9.1433 9.1433 9.1893 9.1893 9.3386 9.3386 9.4250 9.4250 9.9899 9.9899 10.0791 10.0791 10.4342 10.4342 10.8265 10.8265 11.5991 11.5991 13.6342 13.6342 13.7539 13.7539 15.5879 15.5879 17.3376 17.3376 18.3188 18.3188 k = 0.4211 0.4254 0.6486 ( 3950 PWs) bands (ev): -14.4062 -14.4062 0.6686 0.6686 1.4558 1.4558 1.5005 1.5005 5.3791 5.3791 5.4943 5.4943 5.8995 5.8995 5.9547 5.9547 6.1581 6.1581 6.5277 6.5277 6.6264 6.6264 6.6866 6.6866 6.9245 6.9245 6.9849 6.9849 7.0538 7.0538 7.7476 7.7476 7.8612 7.8612 7.9648 7.9648 8.1797 8.1797 8.2529 8.2529 8.5612 8.5612 8.5861 8.5861 8.8556 8.8556 9.0288 9.0288 9.1349 9.1349 9.1914 9.1914 9.3376 9.3376 9.4247 9.4247 9.9626 9.9626 10.0470 10.0470 10.4267 10.4267 10.8613 10.8613 11.5970 11.5970 13.5737 13.5737 13.6816 13.6816 15.7469 15.7469 17.4209 17.4209 18.2866 18.2866 k = 0.4123 0.4406 0.6486 ( 3950 PWs) bands (ev): -14.4062 -14.4062 0.6689 0.6689 1.4573 1.4573 1.4994 1.4994 5.3981 5.3981 5.5240 5.5240 5.8831 5.8831 5.9547 5.9547 6.1435 6.1435 6.5222 6.5222 6.6240 6.6240 6.6789 6.6789 6.9183 6.9183 6.9852 6.9852 7.0168 7.0168 7.7426 7.7426 7.8909 7.8909 7.9648 7.9648 8.1862 8.1862 8.2702 8.2702 8.5586 8.5586 8.6101 8.6101 8.8644 8.8644 9.0401 9.0401 9.1223 9.1223 9.1977 9.1977 9.3347 9.3347 9.4251 9.4251 9.9207 9.9207 10.0265 10.0265 10.4181 10.4181 10.8991 10.8991 11.5928 11.5928 13.5153 13.5153 13.6154 13.6154 15.9086 15.9086 17.5024 17.5024 18.2544 18.2544 k = 0.4035 0.4558 0.6486 ( 3946 PWs) bands (ev): -14.4062 -14.4062 0.6691 0.6691 1.4589 1.4589 1.4983 1.4983 5.4185 5.4185 5.5560 5.5560 5.8637 5.8637 5.9561 5.9561 6.1280 6.1280 6.5134 6.5134 6.6214 6.6214 6.6754 6.6754 6.9112 6.9112 6.9796 6.9796 6.9879 6.9879 7.7359 7.7359 7.9137 7.9137 7.9712 7.9712 8.1946 8.1946 8.2862 8.2862 8.5562 8.5562 8.6329 8.6329 8.8718 8.8718 9.0554 9.0554 9.1083 9.1083 9.2055 9.2055 9.3301 9.3301 9.4263 9.4263 9.8674 9.8674 10.0160 10.0160 10.4084 10.4084 10.9396 10.9396 11.5858 11.5858 13.4576 13.4576 13.5582 13.5582 16.0724 16.0724 17.5798 17.5798 18.2226 18.2226 k = 0.3947 0.4710 0.6486 ( 3946 PWs) bands (ev): -14.4062 -14.4062 0.6694 0.6694 1.4605 1.4605 1.4971 1.4971 5.4404 5.4404 5.5897 5.5897 5.8423 5.8423 5.9578 5.9578 6.1118 6.1118 6.5017 6.5017 6.6193 6.6193 6.6755 6.6755 6.9040 6.9040 6.9466 6.9466 6.9884 6.9884 7.7294 7.7294 7.9212 7.9212 7.9911 7.9911 8.2037 8.2037 8.3009 8.3009 8.5538 8.5538 8.6537 8.6537 8.8788 8.8788 9.0736 9.0736 9.0946 9.0946 9.2134 9.2134 9.3241 9.3241 9.4283 9.4283 9.8084 9.8084 10.0110 10.0110 10.3978 10.3978 10.9822 10.9822 11.5754 11.5754 13.4006 13.4006 13.5117 13.5117 16.2376 16.2376 17.6506 17.6506 18.1903 18.1903 k = 0.3860 0.4862 0.6486 ( 3936 PWs) bands (ev): -14.4062 -14.4062 0.6696 0.6696 1.4621 1.4621 1.4959 1.4959 5.4636 5.4636 5.6238 5.6238 5.8201 5.8201 5.9588 5.9588 6.0956 6.0956 6.4878 6.4878 6.6178 6.6178 6.6786 6.6786 6.8965 6.8965 6.9152 6.9152 6.9898 6.9898 7.7239 7.7239 7.9186 7.9186 8.0185 8.0185 8.2121 8.2121 8.3146 8.3146 8.5513 8.5513 8.6718 8.6718 8.8866 8.8866 9.0791 9.0791 9.0962 9.0962 9.2208 9.2208 9.3173 9.3173 9.4309 9.4309 9.7474 9.7474 10.0092 10.0092 10.3868 10.3868 11.0266 11.0266 11.5609 11.5609 13.3462 13.3462 13.4751 13.4751 16.4036 16.4036 17.7128 17.7128 18.1512 18.1512 k = 0.3772 0.5014 0.6486 ( 3944 PWs) bands (ev): -14.4062 -14.4062 0.6698 0.6698 1.4635 1.4635 1.4948 1.4948 5.4880 5.4880 5.6563 5.6563 5.7989 5.7989 5.9580 5.9580 6.0803 6.0803 6.4732 6.4732 6.6168 6.6168 6.6842 6.6842 6.8802 6.8802 6.8950 6.8950 6.9912 6.9912 7.7197 7.7197 7.9129 7.9129 8.0466 8.0466 8.2187 8.2187 8.3275 8.3275 8.5486 8.5486 8.6865 8.6865 8.8963 8.8963 9.0673 9.0673 9.1171 9.1171 9.2269 9.2269 9.3099 9.3099 9.4343 9.4343 9.6872 9.6872 10.0093 10.0093 10.3759 10.3759 11.0723 11.0723 11.5417 11.5417 13.2972 13.2972 13.4467 13.4467 16.5694 16.5694 17.7643 17.7643 18.0704 18.0704 k = 0.3684 0.5166 0.6486 ( 3942 PWs) bands (ev): -14.4062 -14.4062 0.6700 0.6700 1.4649 1.4649 1.4938 1.4938 5.5138 5.5138 5.6821 5.6821 5.7828 5.7828 5.9545 5.9545 6.0669 6.0669 6.4590 6.4590 6.6161 6.6161 6.6918 6.6918 6.8531 6.8531 6.8886 6.8886 6.9923 6.9923 7.7168 7.7168 7.9064 7.9064 8.0728 8.0728 8.2227 8.2227 8.3395 8.3395 8.5456 8.5456 8.6976 8.6976 8.9083 8.9083 9.0566 9.0566 9.1383 9.1383 9.2311 9.2311 9.3019 9.3019 9.4387 9.4387 9.6306 9.6306 10.0105 10.0105 10.3656 10.3656 11.1186 11.1186 11.5176 11.5176 13.2556 13.2556 13.4251 13.4251 16.7338 16.7338 17.8028 17.8028 17.9499 17.9499 k = 0.3596 0.5318 0.6486 ( 3942 PWs) bands (ev): -14.4062 -14.4062 0.6701 0.6701 1.4660 1.4660 1.4930 1.4930 5.5406 5.5406 5.6904 5.6904 5.7814 5.7814 5.9475 5.9475 6.0568 6.0568 6.4464 6.4464 6.6155 6.6155 6.7011 6.7011 6.8273 6.8273 6.8845 6.8845 6.9932 6.9932 7.7150 7.7150 7.9004 7.9004 8.0957 8.0957 8.2239 8.2239 8.3505 8.3505 8.5427 8.5427 8.7049 8.7049 8.9222 8.9222 9.0479 9.0479 9.1581 9.1581 9.2328 9.2328 9.2926 9.2926 9.4450 9.4450 9.5803 9.5803 10.0123 10.0123 10.3565 10.3565 11.1648 11.1648 11.4887 11.4887 13.2228 13.2228 13.4095 13.4095 16.8943 16.8943 17.8003 17.8003 17.8519 17.8519 k = 0.3509 0.5470 0.6486 ( 3938 PWs) bands (ev): -14.4062 -14.4062 0.6702 0.6702 1.4669 1.4669 1.4923 1.4923 5.5684 5.5684 5.6778 5.6778 5.7959 5.7959 5.9378 5.9378 6.0503 6.0503 6.4363 6.4363 6.6150 6.6150 6.7115 6.7115 6.8044 6.8044 6.8817 6.8817 6.9938 6.9938 7.7142 7.7142 7.8955 7.8955 8.1141 8.1141 8.2226 8.2226 8.3594 8.3594 8.5401 8.5401 8.7090 8.7090 8.9363 8.9363 9.0414 9.0414 9.1754 9.1754 9.2322 9.2322 9.2816 9.2816 9.4542 9.4542 9.5390 9.5390 10.0140 10.0140 10.3493 10.3493 11.2090 11.2090 11.4566 11.4566 13.1995 13.1995 13.3989 13.3989 17.0462 17.0462 17.6867 17.6867 17.8575 17.8575 k = 0.3421 0.5622 0.6486 ( 3942 PWs) bands (ev): -14.4062 -14.4062 0.6703 0.6703 1.4675 1.4675 1.4919 1.4919 5.5965 5.5965 5.6550 5.6550 5.8122 5.8122 5.9285 5.9285 6.0470 6.0470 6.4297 6.4297 6.6146 6.6146 6.7215 6.7215 6.7865 6.7865 6.8801 6.8801 6.9942 6.9942 7.7141 7.7141 7.8922 7.8922 8.1266 8.1266 8.2203 8.2203 8.3654 8.3654 8.5383 8.5383 8.7107 8.7107 8.9476 8.9476 9.0375 9.0375 9.1883 9.1883 9.2298 9.2298 9.2711 9.2711 9.4671 9.4671 9.5076 9.5076 10.0152 10.0152 10.3445 10.3445 11.2465 11.2465 11.4261 11.4261 13.1857 13.1857 13.3929 13.3929 17.1762 17.1762 17.5773 17.5773 17.8656 17.8656 k = 0.3333 0.5774 0.6486 ( 3936 PWs) bands (ev): -14.4062 -14.4062 0.6703 0.6703 1.4677 1.4677 1.4917 1.4917 5.6186 5.6186 5.6343 5.6343 5.8189 5.8189 5.9246 5.9246 6.0461 6.0461 6.4274 6.4274 6.6145 6.6145 6.7265 6.7265 6.7789 6.7789 6.8795 6.8795 6.9943 6.9943 7.7141 7.7141 7.8911 7.8911 8.1311 8.1311 8.2190 8.2190 8.3674 8.3674 8.5378 8.5378 8.7111 8.7111 8.9522 8.9522 9.0362 9.0362 9.1934 9.1934 9.2278 9.2278 9.2664 9.2664 9.4812 9.4812 9.4880 9.4880 10.0157 10.0157 10.3429 10.3429 11.2637 11.2637 11.4111 11.4111 13.1813 13.1813 13.3910 13.3910 17.2377 17.2377 17.5242 17.5242 17.8680 17.8680 k = 0.3333 0.5774 0.6486 ( 3936 PWs) bands (ev): -14.4062 -14.4062 0.6703 0.6703 1.4677 1.4677 1.4917 1.4917 5.6186 5.6186 5.6343 5.6343 5.8189 5.8189 5.9246 5.9246 6.0461 6.0461 6.4274 6.4274 6.6145 6.6145 6.7265 6.7265 6.7789 6.7789 6.8795 6.8795 6.9943 6.9943 7.7141 7.7141 7.8911 7.8911 8.1311 8.1311 8.2190 8.2190 8.3674 8.3674 8.5378 8.5378 8.7111 8.7111 8.9522 8.9522 9.0362 9.0362 9.1934 9.1934 9.2278 9.2278 9.2664 9.2664 9.4812 9.4812 9.4880 9.4880 10.0157 10.0157 10.3429 10.3429 11.2637 11.2637 11.4111 11.4111 13.1813 13.1813 13.3910 13.3910 17.2377 17.2377 17.5242 17.5242 17.8680 17.8680 k = 0.3243 0.5617 0.6486 ( 3940 PWs) bands (ev): -14.4062 -14.4062 0.6703 0.6703 1.4675 1.4675 1.4919 1.4919 5.5953 5.5953 5.6560 5.6560 5.8126 5.8126 5.9280 5.9280 6.0468 6.0468 6.4299 6.4299 6.6147 6.6147 6.7213 6.7213 6.7871 6.7871 6.8801 6.8801 6.9942 6.9942 7.7139 7.7139 7.8924 7.8924 8.1262 8.1262 8.2205 8.2205 8.3653 8.3653 8.5382 8.5382 8.7110 8.7110 8.9466 8.9466 9.0373 9.0373 9.1887 9.1887 9.2313 9.2313 9.2713 9.2713 9.4674 9.4674 9.5063 9.5063 10.0152 10.0152 10.3447 10.3447 11.2441 11.2441 11.4286 11.4286 13.1857 13.1857 13.3929 13.3929 17.1793 17.1793 17.5697 17.5697 17.8659 17.8659 k = 0.3153 0.5461 0.6486 ( 3940 PWs) bands (ev): -14.4062 -14.4062 0.6702 0.6702 1.4669 1.4669 1.4923 1.4923 5.5646 5.5646 5.6796 5.6796 5.7999 5.7999 5.9341 5.9341 6.0484 6.0484 6.4372 6.4372 6.6152 6.6152 6.7111 6.7111 6.8069 6.8069 6.8819 6.8819 6.9938 6.9938 7.7132 7.7132 7.8965 7.8965 8.1128 8.1128 8.2242 8.2242 8.3592 8.3592 8.5387 8.5387 8.7114 8.7114 8.9303 8.9303 9.0399 9.0399 9.1794 9.1794 9.2408 9.2408 9.2843 9.2843 9.4550 9.4550 9.5304 9.5304 10.0139 10.0139 10.3505 10.3505 11.1983 11.1983 11.4687 11.4687 13.1980 13.1980 13.3983 13.3983 17.0653 17.0653 17.6356 17.6356 17.8607 17.8607 k = 0.3063 0.5305 0.6486 ( 3940 PWs) bands (ev): -14.4062 -14.4062 0.6701 0.6701 1.4660 1.4660 1.4928 1.4928 5.5329 5.5329 5.6906 5.6906 5.7938 5.7938 5.9381 5.9381 6.0503 6.0503 6.4485 6.4485 6.6162 6.6162 6.7013 6.7013 6.8329 6.8329 6.8855 6.8855 6.9932 6.9932 7.7115 7.7115 7.9033 7.9033 8.0933 8.0933 8.2281 8.2281 8.3501 8.3501 8.5383 8.5383 8.7126 8.7126 8.9066 8.9066 9.0434 9.0434 9.1693 9.1693 9.2542 9.2542 9.3035 9.3035 9.4453 9.4453 9.5564 9.5564 10.0122 10.0122 10.3600 10.3600 11.1413 11.1413 11.5172 11.5172 13.2171 13.2171 13.4070 13.4070 16.9379 16.9379 17.6715 17.6715 17.8538 17.8538 k = 0.2973 0.5149 0.6486 ( 3940 PWs) bands (ev): -14.4062 -14.4062 0.6699 0.6699 1.4649 1.4649 1.4935 1.4935 5.5008 5.5008 5.6803 5.6803 5.8051 5.8051 5.9389 5.9389 6.0516 6.0516 6.4625 6.4625 6.6177 6.6177 6.6936 6.6936 6.8609 6.8609 6.8934 6.8934 6.9924 6.9924 7.7089 7.7089 7.9126 7.9126 8.0704 8.0704 8.2303 8.2303 8.3393 8.3393 8.5361 8.5361 8.7146 8.7146 8.8802 8.8802 9.0476 9.0476 9.1591 9.1591 9.2686 9.2686 9.3274 9.3274 9.4387 9.4387 9.5829 9.5829 10.0106 10.0106 10.3731 10.3731 11.0790 11.0790 11.5692 11.5692 13.2414 13.2414 13.4187 13.4187 16.8071 16.8071 17.6748 17.6748 17.8469 17.8469 k = 0.2883 0.4993 0.6486 ( 3950 PWs) bands (ev): -14.4062 -14.4062 0.6697 0.6697 1.4637 1.4637 1.4943 1.4943 5.4686 5.4686 5.6544 5.6544 5.8280 5.8280 5.9375 5.9375 6.0517 6.0517 6.4779 6.4779 6.6200 6.6200 6.6886 6.6886 6.8792 6.8792 6.9163 6.9163 6.9916 6.9916 7.7052 7.7052 7.9238 7.9238 8.0464 8.0464 8.2294 8.2294 8.3283 8.3283 8.5315 8.5315 8.7166 8.7166 8.8557 8.8557 9.0523 9.0523 9.1487 9.1487 9.2824 9.2824 9.3512 9.3512 9.4385 9.4385 9.6093 9.6093 10.0101 10.0101 10.3894 10.3894 11.0142 11.0142 11.6227 11.6227 13.2696 13.2696 13.4332 13.4332 16.6755 16.6755 17.6556 17.6556 17.8402 17.8402 k = 0.2793 0.4837 0.6486 ( 3950 PWs) bands (ev): -14.4062 -14.4062 0.6694 0.6694 1.4623 1.4623 1.4950 1.4950 5.4363 5.4363 5.6211 5.6211 5.8513 5.8513 5.9380 5.9380 6.0504 6.0504 6.4933 6.4933 6.6232 6.6232 6.6862 6.6862 6.8872 6.8872 6.9533 6.9533 6.9913 6.9913 7.7005 7.7005 7.9353 7.9353 8.0242 8.0242 8.2241 8.2241 8.3185 8.3185 8.5248 8.5248 8.7171 8.7171 8.8367 8.8367 9.0572 9.0572 9.1383 9.1383 9.2954 9.2954 9.3657 9.3657 9.4520 9.4520 9.6348 9.6348 10.0114 10.0114 10.4084 10.4084 10.9484 10.9484 11.6772 11.6772 13.3002 13.3002 13.4506 13.4506 16.5444 16.5444 17.6226 17.6226 17.8339 17.8339 k = 0.2703 0.4681 0.6486 ( 3946 PWs) bands (ev): -14.4062 -14.4062 0.6691 0.6691 1.4608 1.4608 1.4957 1.4957 5.4042 5.4042 5.5841 5.5841 5.8651 5.8651 5.9470 5.9470 6.0481 6.0481 6.5082 6.5082 6.6273 6.6273 6.6861 6.6861 6.8928 6.8928 6.9827 6.9827 7.0037 7.0037 7.6950 7.6950 7.9435 7.9435 8.0089 8.0089 8.2134 8.2134 8.3112 8.3112 8.5160 8.5160 8.7148 8.7148 8.8256 8.8256 9.0618 9.0618 9.1279 9.1279 9.3077 9.3077 9.3673 9.3673 9.4815 9.4815 9.6590 9.6590 10.0153 10.0153 10.4292 10.4292 10.8831 10.8831 11.7321 11.7321 13.3316 13.3316 13.4706 13.4706 16.4144 16.4144 17.5804 17.5804 17.8279 17.8279 k = 0.2613 0.4525 0.6486 ( 3950 PWs) bands (ev): -14.4063 -14.4063 0.6687 0.6687 1.4593 1.4593 1.4963 1.4963 5.3723 5.3723 5.5449 5.5449 5.8650 5.8650 5.9662 5.9662 6.0470 6.0470 6.5223 6.5223 6.6326 6.6326 6.6880 6.6880 6.8982 6.8982 6.9846 6.9846 7.0445 7.0445 7.6889 7.6889 7.9430 7.9430 8.0075 8.0075 8.1975 8.1975 8.3068 8.3068 8.5059 8.5059 8.7098 8.7098 8.8224 8.8224 9.0658 9.0658 9.1178 9.1178 9.3191 9.3191 9.3624 9.3624 9.5197 9.5197 9.6817 9.6817 10.0224 10.0224 10.4511 10.4511 10.8197 10.8197 11.7874 11.7874 13.3626 13.3626 13.4934 13.4934 16.2858 16.2858 17.5316 17.5316 17.8222 17.8222 k = 0.2523 0.4369 0.6486 ( 3946 PWs) bands (ev): -14.4063 -14.4063 0.6683 0.6683 1.4578 1.4578 1.4969 1.4969 5.3407 5.3407 5.5041 5.5041 5.8561 5.8561 5.9838 5.9838 6.0538 6.0538 6.5357 6.5357 6.6387 6.6387 6.6915 6.6915 6.9034 6.9034 6.9835 6.9835 7.0863 7.0863 7.6820 7.6820 7.9364 7.9364 8.0190 8.0190 8.1775 8.1775 8.3049 8.3049 8.4949 8.4949 8.7041 8.7041 8.8249 8.8249 9.0686 9.0686 9.1082 9.1082 9.3276 9.3276 9.3581 9.3581 9.5610 9.5610 9.7034 9.7034 10.0330 10.0330 10.4721 10.4721 10.7603 10.7603 11.8427 11.8427 13.3919 13.3919 13.5187 13.5187 16.1589 16.1589 17.4775 17.4775 17.8168 17.8168 k = 0.2432 0.4213 0.6486 ( 3950 PWs) bands (ev): -14.4063 -14.4063 0.6679 0.6679 1.4562 1.4562 1.4973 1.4973 5.3096 5.3096 5.4623 5.4623 5.8432 5.8432 5.9874 5.9874 6.0765 6.0765 6.5486 6.5486 6.6457 6.6457 6.6962 6.6962 6.9087 6.9087 6.9822 6.9822 7.1237 7.1237 7.6742 7.6742 7.9323 7.9323 8.0366 8.0366 8.1548 8.1548 8.3052 8.3052 8.4834 8.4834 8.6993 8.6993 8.8304 8.8304 9.0696 9.0696 9.0996 9.0996 9.3286 9.3286 9.3615 9.3615 9.6021 9.6021 9.7252 9.7252 10.0472 10.0472 10.4886 10.4886 10.7088 10.7088 11.8980 11.8980 13.4187 13.4187 13.5461 13.5461 16.0338 16.0338 17.4189 17.4189 17.8112 17.8112 k = 0.2342 0.4057 0.6486 ( 3950 PWs) bands (ev): -14.4063 -14.4063 0.6674 0.6674 1.4547 1.4547 1.4976 1.4976 5.2790 5.2790 5.4196 5.4196 5.8283 5.8283 5.9796 5.9796 6.1105 6.1105 6.5615 6.5615 6.6530 6.6530 6.7022 6.7022 6.9138 6.9138 6.9812 6.9812 7.1539 7.1539 7.6647 7.6647 7.9362 7.9362 8.0564 8.0564 8.1313 8.1313 8.3073 8.3073 8.4720 8.4720 8.6968 8.6968 8.8371 8.8371 9.0679 9.0679 9.0925 9.0925 9.3233 9.3233 9.3731 9.3731 9.6400 9.6400 9.7494 9.7494 10.0646 10.0646 10.4927 10.4927 10.6734 10.6734 11.9531 11.9531 13.4427 13.4427 13.5751 13.5751 15.9109 15.9109 17.3565 17.3565 17.8043 17.8043 k = 0.2252 0.3901 0.6486 ( 3950 PWs) bands (ev): -14.4064 -14.4064 0.6669 0.6669 1.4531 1.4531 1.4978 1.4978 5.2489 5.2489 5.3765 5.3765 5.8125 5.8125 5.9664 5.9664 6.1493 6.1493 6.5743 6.5743 6.6605 6.6605 6.7091 6.7091 6.9185 6.9185 6.9808 6.9808 7.1752 7.1752 7.6524 7.6524 7.9501 7.9501 8.0744 8.0744 8.1112 8.1112 8.3112 8.3112 8.4609 8.4609 8.6967 8.6967 8.8433 8.8433 9.0629 9.0629 9.0870 9.0870 9.3177 9.3177 9.3887 9.3887 9.6718 9.6718 9.7786 9.7786 10.0848 10.0848 10.4751 10.4751 10.6636 10.6636 12.0081 12.0081 13.4635 13.4635 13.6047 13.6047 15.7902 15.7902 17.2905 17.2905 17.7931 17.7931 k = 0.2162 0.3745 0.6486 ( 3954 PWs) bands (ev): -14.4064 -14.4064 0.6664 0.6664 1.4516 1.4516 1.4980 1.4980 5.2195 5.2195 5.3329 5.3329 5.7962 5.7962 5.9503 5.9503 6.1900 6.1900 6.5874 6.5874 6.6678 6.6678 6.7170 6.7170 6.9229 6.9229 6.9814 6.9814 7.1875 7.1875 7.6367 7.6367 7.9726 7.9726 8.0735 8.0735 8.1135 8.1135 8.3171 8.3171 8.4503 8.4503 8.6993 8.6993 8.8481 8.8481 9.0551 9.0551 9.0820 9.0820 9.3143 9.3143 9.4072 9.4072 9.6961 9.6961 9.8142 9.8142 10.1072 10.1072 10.4386 10.4386 10.6768 10.6768 12.0629 12.0629 13.4810 13.4810 13.6345 13.6345 15.6719 15.6719 17.2214 17.2214 17.7732 17.7732 k = 0.2072 0.3589 0.6486 ( 3958 PWs) bands (ev): -14.4065 -14.4065 0.6658 0.6658 1.4501 1.4501 1.4980 1.4980 5.1908 5.1908 5.2893 5.2893 5.7798 5.7798 5.9324 5.9324 6.2315 6.2315 6.6007 6.6007 6.6747 6.6747 6.7259 6.7259 6.9266 6.9266 6.9831 6.9831 7.1913 7.1913 7.6177 7.6177 7.9953 7.9953 8.0633 8.0633 8.1354 8.1354 8.3252 8.3252 8.4405 8.4405 8.7044 8.7044 8.8508 8.8508 9.0453 9.0453 9.0764 9.0764 9.3147 9.3147 9.4287 9.4287 9.7144 9.7144 9.8549 9.8549 10.1313 10.1313 10.3935 10.3935 10.7029 10.7029 12.1174 12.1174 13.4951 13.4951 13.6640 13.6640 15.5563 15.5563 17.1496 17.1496 17.7389 17.7389 k = 0.1982 0.3433 0.6486 ( 3972 PWs) bands (ev): -14.4065 -14.4065 0.6653 0.6653 1.4486 1.4486 1.4980 1.4980 5.1628 5.1628 5.2457 5.2457 5.7635 5.7635 5.9133 5.9133 6.2729 6.2729 6.6143 6.6143 6.6810 6.6810 6.7355 6.7355 6.9297 6.9297 6.9862 6.9862 7.1881 7.1881 7.5960 7.5960 7.9979 7.9979 8.0759 8.0759 8.1620 8.1620 8.3360 8.3360 8.4316 8.4316 8.7117 8.7117 8.8511 8.8511 9.0336 9.0336 9.0695 9.0695 9.3193 9.3193 9.4537 9.4537 9.7288 9.7288 9.8985 9.8985 10.1565 10.1565 10.3466 10.3466 10.7356 10.7356 12.1715 12.1715 13.5053 13.5053 13.6930 13.6930 15.4434 15.4434 17.0752 17.0752 17.6857 17.6857 k = 0.1892 0.3277 0.6486 ( 3962 PWs) bands (ev): -14.4066 -14.4066 0.6647 0.6647 1.4472 1.4472 1.4980 1.4980 5.1356 5.1356 5.2025 5.2025 5.7474 5.7474 5.8935 5.8935 6.3138 6.3138 6.6281 6.6281 6.6866 6.6866 6.7457 6.7457 6.9323 6.9323 6.9908 6.9908 7.1796 7.1796 7.5724 7.5724 7.9825 7.9825 8.1066 8.1066 8.1919 8.1919 8.3501 8.3501 8.4241 8.4241 8.7210 8.7210 8.8486 8.8486 9.0202 9.0202 9.0613 9.0613 9.3281 9.3281 9.4831 9.4831 9.7409 9.7409 9.9434 9.9434 10.1819 10.1819 10.3011 10.3011 10.7724 10.7724 12.2252 12.2252 13.5116 13.5116 13.7215 13.7215 15.3336 15.3336 16.9987 16.9987 17.6127 17.6127 k = 0.1802 0.3121 0.6486 ( 3966 PWs) bands (ev): -14.4066 -14.4066 0.6641 0.6641 1.4457 1.4457 1.4979 1.4979 5.1091 5.1091 5.1598 5.1598 5.7317 5.7317 5.8732 5.8732 6.3536 6.3536 6.6420 6.6420 6.6919 6.6919 6.7562 6.7562 6.9347 6.9347 6.9967 6.9967 7.1670 7.1670 7.5479 7.5479 7.9630 7.9630 8.1379 8.1379 8.2235 8.2235 8.3684 8.3684 8.4191 8.4191 8.7319 8.7319 8.8438 8.8438 9.0052 9.0052 9.0519 9.0519 9.3404 9.3404 9.5173 9.5173 9.7518 9.7518 9.9884 9.9884 10.2047 10.2047 10.2610 10.2610 10.8120 10.8120 12.2785 12.2785 13.5136 13.5136 13.7496 13.7496 15.2270 15.2270 16.9202 16.9202 17.5214 17.5214 k = 0.1712 0.2965 0.6486 ( 3966 PWs) bands (ev): -14.4067 -14.4067 0.6635 0.6635 1.4443 1.4443 1.4978 1.4978 5.0832 5.0832 5.1181 5.1181 5.7164 5.7164 5.8528 5.8528 6.3917 6.3917 6.6556 6.6556 6.6973 6.6973 6.7670 6.7670 6.9372 6.9372 7.0039 7.0039 7.1515 7.1515 7.5236 7.5236 7.9433 7.9433 8.1650 8.1650 8.2529 8.2529 8.3887 8.3887 8.4212 8.4212 8.7436 8.7436 8.8371 8.8371 8.9891 8.9891 9.0413 9.0413 9.3555 9.3555 9.5569 9.5569 9.7619 9.7619 10.0328 10.0328 10.2022 10.2022 10.2498 10.2498 10.8539 10.8539 12.3312 12.3312 13.5113 13.5113 13.7774 13.7774 15.1239 15.1239 16.8401 16.8401 17.4152 17.4152 k = 0.1622 0.2809 0.6486 ( 3966 PWs) bands (ev): -14.4067 -14.4067 0.6630 0.6630 1.4429 1.4429 1.4977 1.4977 5.0568 5.0568 5.0786 5.0786 5.7015 5.7015 5.8326 5.8326 6.4275 6.4275 6.6678 6.6678 6.7039 6.7039 6.7776 6.7776 6.9402 6.9402 7.0120 7.0120 7.1337 7.1337 7.5004 7.5004 7.9245 7.9245 8.1878 8.1878 8.2757 8.2757 8.3993 8.3993 8.4429 8.4429 8.7545 8.7545 8.8302 8.8302 8.9726 8.9726 9.0296 9.0296 9.3725 9.3725 9.6021 9.6021 9.7715 9.7715 10.0761 10.0761 10.1704 10.1704 10.2718 10.2718 10.8980 10.8980 12.3834 12.3834 13.5050 13.5050 13.8050 13.8050 15.0247 15.0247 16.7586 16.7586 17.2977 17.2977 k = 0.1532 0.2653 0.6486 ( 3958 PWs) bands (ev): -14.4068 -14.4068 0.6624 0.6624 1.4414 1.4414 1.4977 1.4977 5.0264 5.0264 5.0452 5.0452 5.6871 5.6871 5.8128 5.8128 6.4604 6.4604 6.6768 6.6768 6.7136 6.7136 6.7883 6.7883 6.9438 6.9438 7.0210 7.0210 7.1144 7.1144 7.4791 7.4791 7.9068 7.9068 8.2071 8.2071 8.2909 8.2909 8.4034 8.4034 8.4794 8.4794 8.7607 8.7607 8.8270 8.8270 8.9561 8.9561 9.0168 9.0168 9.3905 9.3905 9.6523 9.6523 9.7807 9.7807 10.1160 10.1160 10.1402 10.1402 10.2986 10.2986 10.9442 10.9442 12.4349 12.4349 13.4948 13.4948 13.8324 13.8324 14.9295 14.9295 16.6758 16.6758 17.1725 17.1725 k = 0.1441 0.2497 0.6486 ( 3954 PWs) bands (ev): -14.4068 -14.4068 0.6618 0.6618 1.4400 1.4400 1.4977 1.4977 4.9904 4.9904 5.0196 5.0196 5.6733 5.6733 5.7935 5.7935 6.4899 6.4899 6.6818 6.6818 6.7269 6.7269 6.7991 6.7991 6.9481 6.9481 7.0303 7.0303 7.0942 7.0942 7.4603 7.4603 7.8904 7.8904 8.2230 8.2230 8.3001 8.3001 8.4087 8.4087 8.5198 8.5198 8.7575 8.7575 8.8319 8.8319 8.9401 8.9401 9.0033 9.0033 9.4091 9.4091 9.7064 9.7064 9.7897 9.7897 10.1076 10.1076 10.1605 10.1605 10.3266 10.3266 10.9925 10.9925 12.4855 12.4855 13.4813 13.4813 13.8596 13.8596 14.8389 14.8389 16.5916 16.5916 17.0431 17.0431 k = 0.1351 0.2341 0.6486 ( 3956 PWs) bands (ev): -14.4069 -14.4069 0.6612 0.6612 1.4385 1.4385 1.4978 1.4978 4.9533 4.9533 4.9976 4.9976 5.6601 5.6601 5.7750 5.7750 6.5157 6.5157 6.6839 6.6839 6.7419 6.7419 6.8108 6.8108 6.9534 6.9534 7.0387 7.0387 7.0750 7.0750 7.4447 7.4447 7.8754 7.8754 8.2351 8.2351 8.3061 8.3061 8.4162 8.4162 8.5594 8.5594 8.7451 8.7451 8.8444 8.8444 8.9248 8.9248 8.9896 8.9896 9.4279 9.4279 9.7618 9.7618 9.7992 9.7992 10.0852 10.0852 10.1983 10.1983 10.3551 10.3551 11.0428 11.0428 12.5351 12.5351 13.4652 13.4652 13.8865 13.8865 14.7531 14.7531 16.5059 16.5059 16.9125 16.9125 k = 0.1261 0.2185 0.6486 ( 3952 PWs) bands (ev): -14.4069 -14.4069 0.6607 0.6607 1.4371 1.4371 1.4979 1.4979 4.9172 4.9172 4.9773 4.9773 5.6474 5.6474 5.7574 5.7574 6.5378 6.5378 6.6842 6.6842 6.7558 6.7558 6.8243 6.8243 6.9595 6.9595 7.0387 7.0387 7.0647 7.0647 7.4323 7.4323 7.8616 7.8616 8.2425 8.2425 8.3119 8.3119 8.4255 8.4255 8.5964 8.5964 8.7272 8.7272 8.8593 8.8593 8.9103 8.9103 8.9773 8.9773 9.4467 9.4467 9.7996 9.7996 9.8253 9.8253 10.0693 10.0693 10.2341 10.2341 10.3840 10.3840 11.0952 11.0952 12.5834 12.5834 13.4472 13.4472 13.9130 13.9130 14.6727 14.6727 16.4181 16.4181 16.7838 16.7838 k = 0.1171 0.2029 0.6486 ( 3960 PWs) bands (ev): -14.4070 -14.4070 0.6602 0.6602 1.4357 1.4357 1.4981 1.4981 4.8825 4.8825 4.9585 4.9585 5.6354 5.6354 5.7408 5.7408 6.5564 6.5564 6.6835 6.6835 6.7659 6.7659 6.8407 6.8407 6.9666 6.9666 7.0239 7.0239 7.0704 7.0704 7.4232 7.4232 7.8492 7.8492 8.2448 8.2448 8.3196 8.3196 8.4358 8.4358 8.6298 8.6298 8.7065 8.7065 8.8704 8.8704 8.8975 8.8975 8.9693 8.9693 9.4652 9.4652 9.8090 9.8090 9.8744 9.8744 10.0637 10.0637 10.2676 10.2676 10.4134 10.4134 11.1497 11.1497 12.6301 12.6301 13.4281 13.4281 13.9388 13.9388 14.5981 14.5981 16.3275 16.3275 16.6598 16.6598 k = 0.1081 0.1872 0.6486 ( 3964 PWs) bands (ev): -14.4071 -14.4071 0.6597 0.6597 1.4343 1.4343 1.4984 1.4984 4.8496 4.8496 4.9411 4.9411 5.6240 5.6240 5.7253 5.7253 6.5719 6.5719 6.6821 6.6821 6.7711 6.7711 6.8596 6.8596 6.9738 6.9738 7.0073 7.0073 7.0805 7.0805 7.4173 7.4173 7.8381 7.8381 8.2428 8.2428 8.3296 8.3296 8.4464 8.4464 8.6589 8.6589 8.6846 8.6846 8.8682 8.8682 8.8906 8.8906 8.9697 8.9697 9.4832 9.4832 9.8151 9.8151 9.9139 9.9139 10.0737 10.0737 10.2984 10.2984 10.4431 10.4431 11.2062 11.2062 12.6748 12.6748 13.4090 13.4090 13.9636 13.9636 14.5299 14.5299 16.2333 16.2333 16.5434 16.5434 k = 0.0991 0.1716 0.6486 ( 3968 PWs) bands (ev): -14.4071 -14.4071 0.6592 0.6592 1.4329 1.4329 1.4987 1.4987 4.8186 4.8186 4.9250 4.9250 5.6132 5.6132 5.7109 5.7109 6.5848 6.5848 6.6803 6.6803 6.7714 6.7714 6.8794 6.8794 6.9753 6.9753 6.9995 6.9995 7.0914 7.0914 7.4143 7.4143 7.8282 7.8282 8.2378 8.2378 8.3412 8.3412 8.4570 8.4570 8.6605 8.6605 8.6853 8.6853 8.8538 8.8538 8.8865 8.8865 8.9798 8.9798 9.5007 9.5007 9.8200 9.8200 9.9369 9.9369 10.1026 10.1026 10.3267 10.3267 10.4729 10.4729 11.2643 11.2643 12.7170 12.7170 13.3907 13.3907 13.9872 13.9872 14.4687 14.4687 16.1350 16.1350 16.4366 16.4366 k = 0.0901 0.1560 0.6486 ( 3968 PWs) bands (ev): -14.4072 -14.4072 0.6587 0.6587 1.4316 1.4316 1.4991 1.4991 4.7899 4.7899 4.9102 4.9102 5.6032 5.6032 5.6979 5.6979 6.5957 6.5957 6.6782 6.6782 6.7675 6.7675 6.8982 6.8982 6.9655 6.9655 7.0075 7.0075 7.1021 7.1021 7.4138 7.4138 7.8197 7.8197 8.2312 8.2312 8.3539 8.3539 8.4672 8.4672 8.6378 8.6378 8.7059 8.7059 8.8360 8.8360 8.8804 8.8804 8.9959 8.9959 9.5173 9.5173 9.8238 9.8238 9.9474 9.9474 10.1444 10.1444 10.3524 10.3524 10.5025 10.5025 11.3237 11.3237 12.7560 12.7560 13.3744 13.3744 14.0091 14.0091 14.4151 14.4151 16.0331 16.0331 16.3406 16.3406 k = 0.0811 0.1404 0.6486 ( 3964 PWs) bands (ev): -14.4072 -14.4072 0.6583 0.6583 1.4303 1.4303 1.4995 1.4995 4.7634 4.7634 4.8968 4.8968 5.5939 5.5939 5.6861 5.6861 6.6049 6.6049 6.6762 6.6762 6.7601 6.7601 6.9147 6.9147 6.9542 6.9542 7.0220 7.0220 7.1122 7.1122 7.4156 7.4156 7.8123 7.8123 8.2239 8.2239 8.3671 8.3671 8.4768 8.4768 8.6152 8.6152 8.7211 8.7211 8.8186 8.8186 8.8735 8.8735 9.0142 9.0142 9.5330 9.5330 9.8268 9.8268 9.9524 9.9524 10.1903 10.1903 10.3758 10.3758 10.5316 10.5316 11.3836 11.3836 12.7912 12.7912 13.3609 13.3609 14.0289 14.0289 14.3698 14.3698 15.9294 15.9294 16.2549 16.2549 k = 0.0721 0.1248 0.6486 ( 3968 PWs) bands (ev): -14.4072 -14.4072 0.6579 0.6579 1.4291 1.4291 1.4999 1.4999 4.7394 4.7394 4.8847 4.8847 5.5854 5.5854 5.6756 5.6756 6.6127 6.6127 6.6741 6.6741 6.7502 6.7502 6.9275 6.9275 6.9455 6.9455 7.0390 7.0390 7.1215 7.1215 7.4190 7.4190 7.8062 7.8062 8.2164 8.2164 8.3806 8.3806 8.4856 8.4856 8.5934 8.5934 8.7279 8.7279 8.8056 8.8056 8.8668 8.8668 9.0324 9.0324 9.5475 9.5475 9.8292 9.8292 9.9557 9.9557 10.2347 10.2347 10.3971 10.3971 10.5597 10.5597 11.4430 11.4430 12.8217 12.8217 13.3513 13.3513 14.0459 14.0459 14.3332 14.3332 15.8266 15.8266 16.1784 16.1784 k = 0.0631 0.1092 0.6486 ( 3966 PWs) bands (ev): -14.4073 -14.4073 0.6576 0.6576 1.4281 1.4281 1.5004 1.5004 4.7179 4.7179 4.8740 4.8740 5.5778 5.5778 5.6664 5.6664 6.6197 6.6197 6.6722 6.6722 6.7385 6.7385 6.9321 6.9321 6.9446 6.9446 7.0570 7.0570 7.1298 7.1298 7.4236 7.4236 7.8011 7.8011 8.2093 8.2093 8.3942 8.3942 8.4935 8.4935 8.5730 8.5730 8.7229 8.7229 8.8013 8.8013 8.8610 8.8610 9.0494 9.0494 9.5607 9.5607 9.8311 9.8311 9.9588 9.9588 10.2749 10.2749 10.4165 10.4165 10.5863 10.5863 11.5007 11.5007 12.8472 12.8472 13.3461 13.3461 14.0599 14.0599 14.3057 14.3057 15.7274 15.7274 16.1094 16.1094 k = 0.0541 0.0936 0.6486 ( 3966 PWs) bands (ev): -14.4073 -14.4073 0.6573 0.6573 1.4271 1.4271 1.5008 1.5008 4.6991 4.6991 4.8647 4.8647 5.5710 5.5710 5.6585 5.6585 6.6259 6.6259 6.6705 6.6705 6.7260 6.7260 6.9283 6.9283 6.9516 6.9516 7.0748 7.0748 7.1371 7.1371 7.4288 7.4288 7.7971 7.7971 8.2028 8.2028 8.4077 8.4077 8.5003 8.5003 8.5544 8.5544 8.7080 8.7080 8.8044 8.8044 8.8563 8.8563 9.0647 9.0647 9.5725 9.5725 9.8328 9.8328 9.9620 9.9620 10.3096 10.3096 10.4340 10.4340 10.6108 10.6108 11.5552 11.5552 12.8672 12.8672 13.3454 13.3454 14.0706 14.0706 14.2868 14.2869 15.6344 15.6344 16.0466 16.0466 k = 0.0450 0.0780 0.6486 ( 3970 PWs) bands (ev): -14.4073 -14.4073 0.6570 0.6570 1.4262 1.4262 1.5012 1.5012 4.6830 4.6830 4.8568 4.8568 5.5652 5.5652 5.6518 5.6518 6.6316 6.6316 6.6690 6.6690 6.7134 6.7134 6.9243 6.9243 6.9583 6.9583 7.0913 7.0913 7.1433 7.1433 7.4343 7.4343 7.7940 7.7940 8.1972 8.1972 8.4208 8.4208 8.5057 8.5057 8.5385 8.5385 8.6890 8.6890 8.8099 8.8099 8.8529 8.8529 9.0780 9.0780 9.5827 9.5827 9.8343 9.8343 9.9652 9.9652 10.3382 10.3382 10.4497 10.4497 10.6327 10.6327 11.6050 11.6050 12.8820 12.8820 13.3488 13.3488 14.0783 14.0783 14.2757 14.2757 15.5501 15.5501 15.9888 15.9888 k = 0.0360 0.0624 0.6486 ( 3974 PWs) bands (ev): -14.4074 -14.4074 0.6568 0.6568 1.4255 1.4255 1.5015 1.5015 4.6698 4.6698 4.8503 4.8503 5.5603 5.5603 5.6464 5.6464 6.6372 6.6372 6.6678 6.6678 6.7012 6.7012 6.9212 6.9212 6.9638 6.9638 7.1058 7.1058 7.1483 7.1483 7.4394 7.4394 7.7918 7.7918 8.1925 8.1925 8.4329 8.4329 8.5085 8.5085 8.5269 8.5269 8.6693 8.6693 8.8148 8.8148 8.8510 8.8510 9.0889 9.0889 9.5912 9.5912 9.8355 9.8355 9.9682 9.9682 10.3606 10.3606 10.4633 10.4633 10.6515 10.6515 11.6485 11.6485 12.8923 12.8923 13.3549 13.3549 14.0837 14.0837 14.2705 14.2705 15.4767 15.4767 15.9358 15.9358 k = 0.0270 0.0468 0.6486 ( 3974 PWs) bands (ev): -14.4074 -14.4074 0.6566 0.6566 1.4249 1.4249 1.5018 1.5018 4.6594 4.6594 4.8453 4.8453 5.5565 5.5565 5.6422 5.6422 6.6428 6.6428 6.6668 6.6668 6.6899 6.6899 6.9189 6.9189 6.9680 6.9680 7.1176 7.1176 7.1523 7.1523 7.4438 7.4438 7.7902 7.7902 8.1890 8.1890 8.4433 8.4433 8.5067 8.5067 8.5225 8.5225 8.6510 8.6510 8.8182 8.8182 8.8505 8.8505 9.0975 9.0975 9.5979 9.5979 9.8366 9.8366 9.9707 9.9707 10.3774 10.3774 10.4745 10.4745 10.6667 10.6667 11.6840 11.6840 12.8988 12.8988 13.3624 13.3624 14.0877 14.0877 14.2690 14.2690 15.4165 15.4165 15.8889 15.8889 k = 0.0180 0.0312 0.6486 ( 3978 PWs) bands (ev): -14.4074 -14.4074 0.6565 0.6565 1.4245 1.4245 1.5020 1.5020 4.6520 4.6520 4.8416 4.8416 5.5537 5.5537 5.6392 5.6392 6.6486 6.6486 6.6661 6.6661 6.6797 6.6797 6.9174 6.9174 6.9710 6.9710 7.1263 7.1263 7.1551 7.1551 7.4472 7.4472 7.7892 7.7892 8.1865 8.1865 8.4507 8.4507 8.5031 8.5031 8.5230 8.5230 8.6357 8.6357 8.8200 8.8200 8.8509 8.8509 9.1037 9.1037 9.6027 9.6027 9.8375 9.8375 9.9727 9.9727 10.3888 10.3888 10.4829 10.4829 10.6778 10.6778 11.7104 11.7104 12.9026 12.9026 13.3693 13.3693 14.0906 14.0906 14.2694 14.2694 15.3717 15.3717 15.8510 15.8510 k = 0.0090 0.0156 0.6486 ( 3982 PWs) bands (ev): -14.4074 -14.4074 0.6564 0.6564 1.4243 1.4243 1.5021 1.5021 4.6475 4.6475 4.8395 4.8395 5.5521 5.5521 5.6375 5.6375 6.6549 6.6549 6.6657 6.6657 6.6707 6.6707 6.9165 6.9165 6.9727 6.9727 7.1316 7.1316 7.1568 7.1568 7.4494 7.4494 7.7886 7.7886 8.1851 8.1851 8.4546 8.4546 8.5016 8.5016 8.5241 8.5241 8.6253 8.6253 8.8208 8.8208 8.8516 8.8516 9.1074 9.1074 9.6056 9.6056 9.8380 9.8380 9.9739 9.9739 10.3955 10.3955 10.4881 10.4881 10.6846 10.6846 11.7267 11.7267 12.9046 12.9046 13.3742 13.3742 14.0924 14.0924 14.2702 14.2702 15.3439 15.3439 15.8263 15.8263 k = 0.0000 0.0000 0.6486 ( 3990 PWs) bands (ev): -14.4074 -14.4074 0.6564 0.6564 1.4242 1.4242 1.5022 1.5022 4.6460 4.6460 4.8387 4.8387 5.5515 5.5515 5.6369 5.6369 6.6602 6.6602 6.6644 6.6644 6.6656 6.6656 6.9162 6.9162 6.9733 6.9733 7.1334 7.1334 7.1573 7.1573 7.4501 7.4501 7.7884 7.7884 8.1846 8.1846 8.4557 8.4557 8.5014 8.5014 8.5246 8.5246 8.6216 8.6216 8.8210 8.8210 8.8519 8.8519 9.1087 9.1087 9.6066 9.6066 9.8382 9.8382 9.9744 9.9744 10.3977 10.3977 10.4898 10.4898 10.6869 10.6869 11.7322 11.7322 12.9051 12.9051 13.3759 13.3759 14.0930 14.0930 14.2706 14.2706 15.3345 15.3345 15.8177 15.8177 k = 0.5000 0.2887 0.6486 ( 3976 PWs) bands (ev): -14.4063 -14.4063 0.6673 0.6673 1.4482 1.4482 1.5057 1.5057 5.2872 5.2872 5.3677 5.3677 5.9142 5.9142 6.0122 6.0122 6.2245 6.2245 6.5212 6.5212 6.6293 6.6293 6.7991 6.7991 6.9070 6.9070 7.0185 7.0185 7.4213 7.4213 7.4459 7.4459 7.8779 7.8779 7.9406 7.9406 8.1151 8.1151 8.2330 8.2330 8.4007 8.4007 8.5908 8.5908 8.7710 8.7710 9.0410 9.0410 9.1035 9.1035 9.2709 9.2709 9.3007 9.3007 9.4317 9.4317 10.0969 10.0969 10.2059 10.2059 10.4801 10.4801 10.6917 10.6917 11.5946 11.5946 14.0539 14.0539 14.3267 14.3267 14.5823 14.5823 16.9101 16.9101 18.4768 18.4768 k = 0.5000 0.2887 0.6306 ( 3966 PWs) bands (ev): -14.4063 -14.4063 0.6673 0.6673 1.4483 1.4483 1.5057 1.5057 5.2849 5.2849 5.3638 5.3638 5.9147 5.9147 6.0169 6.0169 6.2257 6.2257 6.5207 6.5207 6.6307 6.6307 6.7983 6.7983 6.9057 6.9057 7.0189 7.0189 7.4196 7.4196 7.4465 7.4465 7.8722 7.8722 7.9457 7.9457 8.1153 8.1153 8.2304 8.2304 8.4036 8.4036 8.5891 8.5891 8.7714 8.7714 9.0371 9.0371 9.1047 9.1047 9.2669 9.2669 9.3092 9.3092 9.4281 9.4281 10.0868 10.0868 10.2096 10.2096 10.4782 10.4782 10.7020 10.7020 11.6070 11.6070 14.0170 14.0170 14.3613 14.3613 14.5813 14.5813 16.9148 16.9148 18.4734 18.4734 k = 0.5000 0.2887 0.6125 ( 3966 PWs) bands (ev): -14.4064 -14.4064 0.6675 0.6675 1.4485 1.4485 1.5057 1.5057 5.2774 5.2774 5.3530 5.3530 5.9161 5.9161 6.0303 6.0303 6.2293 6.2293 6.5195 6.5195 6.6349 6.6349 6.7960 6.7960 6.9021 6.9021 7.0200 7.0200 7.4151 7.4151 7.4480 7.4480 7.8585 7.8585 7.9576 7.9576 8.1158 8.1158 8.2234 8.2234 8.4117 8.4117 8.5842 8.5842 8.7723 8.7723 9.0272 9.0272 9.1067 9.1067 9.2620 9.2620 9.3265 9.3265 9.4188 9.4188 10.0626 10.0626 10.2143 10.2143 10.4730 10.4730 10.7327 10.7327 11.6434 11.6434 13.9379 13.9379 14.4243 14.4243 14.5877 14.5877 16.9287 16.9287 18.4604 18.4604 k = 0.5000 0.2887 0.5945 ( 3966 PWs) bands (ev): -14.4064 -14.4064 0.6677 0.6677 1.4489 1.4489 1.5056 1.5056 5.2639 5.2639 5.3378 5.3378 5.9187 5.9187 6.0511 6.0511 6.2350 6.2350 6.5173 6.5173 6.6420 6.6420 6.7922 6.7922 6.8961 6.8961 7.0217 7.0217 7.4084 7.4084 7.4496 7.4496 7.8411 7.8411 7.9716 7.9716 8.1161 8.1161 8.2136 8.2136 8.4236 8.4236 8.5764 8.5764 8.7734 8.7734 9.0143 9.0143 9.1075 9.1075 9.2604 9.2604 9.3418 9.3418 9.4106 9.4106 10.0329 10.0329 10.2121 10.2121 10.4660 10.4660 10.7829 10.7829 11.7016 11.7016 13.8464 13.8464 14.4524 14.4524 14.6357 14.6357 16.9508 16.9508 18.4346 18.4346 k = 0.5000 0.2887 0.5765 ( 3952 PWs) bands (ev): -14.4065 -14.4065 0.6680 0.6680 1.4493 1.4493 1.5055 1.5055 5.2433 5.2433 5.3210 5.3210 5.9223 5.9223 6.0773 6.0773 6.2424 6.2424 6.5142 6.5142 6.6521 6.6521 6.7870 6.7870 6.8880 6.8880 7.0238 7.0238 7.4002 7.4002 7.4512 7.4512 7.8218 7.8218 7.9853 7.9853 8.1158 8.1158 8.2032 8.2032 8.4375 8.4375 8.5664 8.5664 8.7742 8.7742 9.0010 9.0010 9.1068 9.1068 9.2616 9.2616 9.3403 9.3403 9.4192 9.4192 10.0017 10.0017 10.2006 10.2006 10.4582 10.4582 10.8508 10.8508 11.7784 11.7784 13.7524 13.7524 14.4324 14.4324 14.7295 14.7295 16.9800 16.9800 18.3971 18.3971 k = 0.5000 0.2887 0.5585 ( 3970 PWs) bands (ev): -14.4067 -14.4067 0.6684 0.6684 1.4498 1.4498 1.5056 1.5056 5.2152 5.2152 5.3049 5.3049 5.9272 5.9272 6.1071 6.1071 6.2511 6.2511 6.5103 6.5103 6.6651 6.6651 6.7804 6.7804 6.8778 6.8778 7.0262 7.0262 7.3907 7.3907 7.4527 7.4527 7.8014 7.8014 7.9969 7.9969 8.1143 8.1143 8.1946 8.1946 8.4522 8.4522 8.5550 8.5550 8.7742 8.7742 8.9886 8.9886 9.1053 9.1053 9.2620 9.2620 9.3242 9.3242 9.4460 9.4460 9.9708 9.9708 10.1812 10.1812 10.4500 10.4500 10.9336 10.9336 11.8709 11.8709 13.6593 13.6593 14.3895 14.3895 14.8418 14.8418 17.0147 17.0147 18.3502 18.3502 k = 0.5000 0.2887 0.5405 ( 3958 PWs) bands (ev): -14.4069 -14.4069 0.6688 0.6688 1.4502 1.4502 1.5059 1.5059 5.1810 5.1810 5.2901 5.2901 5.9332 5.9332 6.1386 6.1386 6.2608 6.2608 6.5054 6.5054 6.6812 6.6812 6.7728 6.7728 6.8659 6.8659 7.0286 7.0286 7.3801 7.3801 7.4543 7.4543 7.7801 7.7801 8.0039 8.0039 8.1122 8.1122 8.1898 8.1898 8.4662 8.4662 8.5433 8.5433 8.7730 8.7730 8.9784 8.9784 9.1043 9.1043 9.2534 9.2534 9.3120 9.3120 9.4810 9.4810 9.9406 9.9406 10.1567 10.1567 10.4412 10.4412 11.0284 11.0284 11.9763 11.9763 13.5685 13.5685 14.3342 14.3342 14.9622 14.9622 17.0530 17.0530 18.2960 18.2960 k = 0.5000 0.2887 0.5225 ( 3970 PWs) bands (ev): -14.4071 -14.4071 0.6693 0.6693 1.4505 1.4505 1.5064 1.5064 5.1426 5.1426 5.2761 5.2761 5.9403 5.9403 6.1700 6.1700 6.2714 6.2714 6.4996 6.4996 6.7000 6.7000 6.7641 6.7641 6.8525 6.8525 7.0308 7.0308 7.3686 7.3686 7.4559 7.4559 7.7582 7.7582 8.0034 8.0034 8.1119 8.1119 8.1895 8.1895 8.4778 8.4778 8.5328 8.5328 8.7703 8.7703 8.9710 8.9710 9.1046 9.1046 9.2311 9.2311 9.3127 9.3127 9.5198 9.5198 9.9115 9.9115 10.1295 10.1295 10.4315 10.4315 11.1330 11.1330 12.0921 12.0921 13.4809 13.4809 14.2703 14.2703 15.0872 15.0872 17.0930 17.0930 18.2362 18.2362 k = 0.5000 0.2887 0.5045 ( 3966 PWs) bands (ev): -14.4073 -14.4073 0.6698 0.6698 1.4506 1.4506 1.5073 1.5073 5.1014 5.1014 5.2627 5.2627 5.9486 5.9486 6.1994 6.1994 6.2832 6.2832 6.4932 6.4932 6.7212 6.7212 6.7546 6.7546 6.8378 6.8378 7.0325 7.0325 7.3565 7.3565 7.4575 7.4575 7.7357 7.7357 7.9938 7.9938 8.1160 8.1160 8.1928 8.1928 8.4841 8.4841 8.5265 8.5265 8.7664 8.7664 8.9671 8.9671 9.1066 9.1066 9.2027 9.2027 9.3207 9.3207 9.5602 9.5602 9.8840 9.8840 10.1014 10.1014 10.4207 10.4207 11.2458 11.2458 12.2164 12.2164 13.3973 13.3973 14.2001 14.2001 15.2157 15.2157 17.1327 17.1327 18.1724 18.1724 k = 0.5000 0.2887 0.4864 ( 3956 PWs) bands (ev): -14.4075 -14.4075 0.6704 0.6704 1.4504 1.4504 1.5086 1.5086 5.0587 5.0587 5.2500 5.2500 5.9579 5.9579 6.2245 6.2245 6.2970 6.2970 6.4861 6.4861 6.7418 6.7418 6.7467 6.7467 6.8221 6.8221 7.0336 7.0336 7.3442 7.3442 7.4587 7.4587 7.7130 7.7130 7.9768 7.9768 8.1246 8.1246 8.1987 8.1987 8.4826 8.4826 8.5267 8.5267 8.7617 8.7617 8.9668 8.9668 9.1098 9.1098 9.1741 9.1741 9.3316 9.3316 9.6003 9.6003 9.8593 9.8593 10.0733 10.0733 10.4085 10.4085 11.3654 11.3654 12.3470 12.3470 13.3184 13.3184 14.1251 14.1251 15.3469 15.3469 17.1702 17.1702 18.1057 18.1057 k = 0.5000 0.2887 0.4684 ( 3958 PWs) bands (ev): -14.4078 -14.4078 0.6709 0.6709 1.4497 1.4497 1.5105 1.5105 5.0152 5.0152 5.2378 5.2378 5.9682 5.9682 6.2431 6.2431 6.3140 6.3140 6.4787 6.4787 6.7326 6.7326 6.7691 6.7691 6.8060 6.8060 7.0335 7.0335 7.3321 7.3321 7.4586 7.4586 7.6905 7.6905 7.9557 7.9557 8.1361 8.1361 8.2063 8.2063 8.4765 8.4765 8.5307 8.5307 8.7573 8.7573 8.9703 8.9703 9.1104 9.1104 9.1510 9.1510 9.3439 9.3439 9.6368 9.6368 9.8404 9.8404 10.0459 10.0459 10.3947 10.3947 11.4908 11.4908 12.4814 12.4814 13.2453 13.2453 14.0471 14.0471 15.4803 15.4803 17.2035 17.2035 18.0371 18.0371 k = 0.5000 0.2887 0.4504 ( 3956 PWs) bands (ev): -14.4081 -14.4081 0.6715 0.6715 1.4487 1.4487 1.5130 1.5130 4.9715 4.9715 5.2264 5.2264 5.9795 5.9795 6.2549 6.2549 6.3334 6.3334 6.4712 6.4712 6.7205 6.7205 6.7899 6.7899 6.7938 6.7938 7.0321 7.0321 7.3206 7.3206 7.4565 7.4565 7.6690 7.6690 7.9338 7.9338 8.1489 8.1489 8.2149 8.2149 8.4698 8.4698 8.5346 8.5346 8.7541 8.7541 8.9773 8.9773 9.0980 9.0980 9.1444 9.1444 9.3570 9.3570 9.6632 9.6632 9.8332 9.8332 10.0195 10.0195 10.3792 10.3792 11.6212 11.6212 12.6159 12.6159 13.1808 13.1808 13.9675 13.9675 15.6157 15.6157 17.2310 17.2310 17.9675 17.9675 k = 0.5000 0.2887 0.4324 ( 3950 PWs) bands (ev): -14.4084 -14.4084 0.6720 0.6720 1.4473 1.4473 1.5161 1.5161 4.9281 4.9281 5.2158 5.2158 5.9917 5.9917 6.2613 6.2613 6.3528 6.3528 6.4641 6.4641 6.7071 6.7071 6.7746 6.7746 6.8176 6.8176 7.0286 7.0286 7.3103 7.3103 7.4513 7.4513 7.6495 7.6495 7.9135 7.9135 8.1619 8.1619 8.2245 8.2245 8.4644 8.4644 8.5369 8.5369 8.7532 8.7532 8.9873 8.9873 9.0753 9.0753 9.1513 9.1513 9.3705 9.3705 9.6721 9.6721 9.8444 9.8444 9.9946 9.9946 10.3620 10.3620 11.7562 11.7562 12.7414 12.7414 13.1319 13.1319 13.8883 13.8883 15.7529 15.7529 17.2513 17.2513 17.8975 17.8975 k = 0.5000 0.2887 0.4144 ( 3952 PWs) bands (ev): -14.4088 -14.4088 0.6725 0.6725 1.4454 1.4454 1.5197 1.5197 4.8853 4.8853 5.2064 5.2064 6.0049 6.0049 6.2637 6.2637 6.3697 6.3697 6.4585 6.4585 6.6923 6.6923 6.7605 6.7605 6.8391 6.8391 7.0227 7.0227 7.3018 7.3018 7.4423 7.4423 7.6328 7.6328 7.8966 7.8966 8.1741 8.1741 8.2351 8.2351 8.4612 8.4612 8.5376 8.5376 8.7548 8.7548 8.9996 8.9996 9.0514 9.0514 9.1626 9.1626 9.3845 9.3845 9.6638 9.6638 9.8715 9.8715 9.9730 9.9730 10.3430 10.3430 11.8952 11.8952 12.8338 12.8338 13.1199 13.1199 13.8130 13.8130 15.8915 15.8915 17.2633 17.2633 17.8279 17.8279 k = 0.5000 0.2887 0.3964 ( 3952 PWs) bands (ev): -14.4091 -14.4091 0.6730 0.6730 1.4432 1.4432 1.5239 1.5239 4.8434 4.8434 5.1982 5.1982 6.0188 6.0188 6.2632 6.2632 6.3815 6.3815 6.4557 6.4557 6.6757 6.6757 6.7482 6.7482 6.8570 6.8570 7.0134 7.0134 7.2956 7.2956 7.4301 7.4301 7.6196 7.6196 7.8842 7.8842 8.1850 8.1850 8.2471 8.2471 8.4603 8.4603 8.5375 8.5375 8.7589 8.7589 9.0115 9.0115 9.0308 9.0308 9.1757 9.1757 9.3987 9.3987 9.6457 9.6457 9.8976 9.8976 9.9640 9.9640 10.3222 10.3222 12.0377 12.0377 12.8583 12.8583 13.1730 13.1730 13.7480 13.7480 16.0313 16.0313 17.2665 17.2665 17.7591 17.7591 k = 0.5000 0.2887 0.3783 ( 3956 PWs) bands (ev): -14.4095 -14.4095 0.6734 0.6734 1.4407 1.4407 1.5286 1.5286 4.8026 4.8026 5.1913 5.1913 6.0335 6.0335 6.2605 6.2605 6.3864 6.3864 6.4568 6.4568 6.6577 6.6577 6.7378 6.7378 6.8696 6.8696 7.0001 7.0001 7.2919 7.2919 7.4162 7.4162 7.6101 7.6101 7.8767 7.8767 8.1943 8.1943 8.2610 8.2610 8.4611 8.4611 8.5378 8.5378 8.7653 8.7653 9.0014 9.0014 9.0350 9.0350 9.1896 9.1896 9.4132 9.4132 9.6231 9.6231 9.8955 9.8955 9.9890 9.9890 10.2998 10.2998 12.1834 12.1834 12.8338 12.8338 13.2561 13.2561 13.7099 13.7099 16.1722 16.1722 17.2607 17.2607 17.6915 17.6915 k = 0.5000 0.2887 0.3603 ( 3956 PWs) bands (ev): -14.4098 -14.4098 0.6737 0.6737 1.4379 1.4379 1.5337 1.5337 4.7631 4.7631 5.1858 5.1858 6.0488 6.0488 6.2558 6.2558 6.3851 6.3851 6.4615 6.4615 6.6383 6.6383 6.7289 6.7289 6.8753 6.8753 6.9831 6.9831 7.2907 7.2907 7.4027 7.4027 7.6042 7.6042 7.8735 7.8735 8.2025 8.2025 8.2768 8.2768 8.4630 8.4630 8.5398 8.5398 8.7737 8.7737 8.9813 8.9813 9.0519 9.0519 9.2036 9.2036 9.4278 9.4278 9.5987 9.5987 9.8764 9.8764 10.0340 10.0340 10.2757 10.2757 12.3318 12.3318 12.7940 12.7940 13.3035 13.3035 13.7310 13.7310 16.3139 16.3139 17.2462 17.2462 17.6255 17.6255 k = 0.5000 0.2887 0.3423 ( 3956 PWs) bands (ev): -14.4102 -14.4102 0.6739 0.6739 1.4349 1.4349 1.5391 1.5391 4.7249 4.7249 5.1819 5.1819 6.0646 6.0646 6.2497 6.2497 6.3795 6.3795 6.4674 6.4674 6.6182 6.6182 6.7210 6.7210 6.8720 6.8720 6.9639 6.9639 7.2911 7.2911 7.3912 7.3912 7.6025 7.6025 7.8738 7.8738 8.2105 8.2105 8.2944 8.2944 8.4651 8.4651 8.5447 8.5447 8.7835 8.7835 8.9618 8.9618 9.0703 9.0703 9.2175 9.2175 9.4426 9.4426 9.5735 9.5735 9.8535 9.8535 10.0841 10.0841 10.2504 10.2504 12.4823 12.4823 12.7515 12.7515 13.2884 13.2884 13.8259 13.8259 16.4562 16.4562 17.2240 17.2240 17.5613 17.5613 k = 0.5000 0.2887 0.3243 ( 3962 PWs) bands (ev): -14.4106 -14.4106 0.6741 0.6741 1.4318 1.4318 1.5449 1.5449 4.6883 4.6883 5.1795 5.1795 6.0807 6.0807 6.2426 6.2426 6.3717 6.3717 6.4730 6.4730 6.5977 6.5977 6.7134 6.7134 6.8567 6.8567 6.9463 6.9463 7.2920 7.2920 7.3826 7.3826 7.6056 7.6056 7.8762 7.8762 8.2193 8.2193 8.3134 8.3134 8.4667 8.4667 8.5529 8.5529 8.7948 8.7948 8.9435 8.9435 9.0893 9.0893 9.2307 9.2307 9.4573 9.4573 9.5483 9.5483 9.8297 9.8297 10.1350 10.1350 10.2246 10.2246 12.6318 12.6318 12.7125 12.7125 13.2357 13.2357 13.9663 13.9663 16.5985 16.5985 17.1953 17.1953 17.4990 17.4990 k = 0.5000 0.2887 0.3063 ( 3952 PWs) bands (ev): -14.4109 -14.4109 0.6742 0.6742 1.4286 1.4286 1.5508 1.5508 4.6534 4.6534 5.1787 5.1787 6.0969 6.0969 6.2348 6.2348 6.3628 6.3628 6.4773 6.4773 6.5772 6.5772 6.7051 6.7051 6.8292 6.8292 6.9329 6.9329 7.2923 7.2923 7.3767 7.3767 7.6141 7.6141 7.8797 7.8797 8.2297 8.2297 8.3335 8.3335 8.4678 8.4678 8.5643 8.5643 8.8074 8.8074 8.9268 8.9268 9.1082 9.1082 9.2430 9.2430 9.4716 9.4716 9.5237 9.5237 9.8056 9.8056 10.1757 10.1757 10.2082 10.2082 12.6652 12.6652 12.7919 12.7919 13.1696 13.1696 14.1280 14.1280 16.7404 16.7404 17.1618 17.1618 17.4389 17.4389 k = 0.5000 0.2887 0.2883 ( 3950 PWs) bands (ev): -14.4113 -14.4113 0.6743 0.6743 1.4253 1.4253 1.5569 1.5569 4.6201 4.6201 5.1796 5.1796 6.1126 6.1126 6.2269 6.2269 6.3535 6.3535 6.4799 6.4799 6.5572 6.5572 6.6946 6.6946 6.7936 6.7936 6.9225 6.9225 7.2915 7.2915 7.3726 7.3726 7.6281 7.6281 7.8831 7.8831 8.2424 8.2424 8.3545 8.3545 8.4687 8.4687 8.5782 8.5782 8.8214 8.8214 8.9116 8.9116 9.1264 9.1264 9.2543 9.2543 9.4818 9.4818 9.5034 9.5034 9.7816 9.7816 10.1607 10.1607 10.2462 10.2462 12.6297 12.6297 12.9341 12.9341 13.1087 13.1087 14.3005 14.3005 16.8799 16.8799 17.1263 17.1263 17.3809 17.3809 k = 0.5000 0.2887 0.2702 ( 3956 PWs) bands (ev): -14.4117 -14.4117 0.6742 0.6742 1.4221 1.4221 1.5631 1.5631 4.5886 4.5886 5.1821 5.1821 6.1271 6.1271 6.2199 6.2199 6.3440 6.3440 6.4806 6.4806 6.5383 6.5383 6.6785 6.6785 6.7570 6.7570 6.9135 6.9135 7.2896 7.2896 7.3694 7.3694 7.6471 7.6471 7.8859 7.8859 8.2576 8.2576 8.3762 8.3762 8.4698 8.4698 8.5939 8.5939 8.8368 8.8368 8.8980 8.8980 9.1434 9.1434 9.2642 9.2642 9.4689 9.4689 9.5065 9.5065 9.7579 9.7579 10.1323 10.1323 10.2961 10.2961 12.5959 12.5959 12.9801 12.9801 13.1452 13.1452 14.4796 14.4796 17.0032 17.0032 17.1035 17.1035 17.3254 17.3254 k = 0.5000 0.2887 0.2522 ( 3964 PWs) bands (ev): -14.4120 -14.4120 0.6741 0.6741 1.4189 1.4189 1.5692 1.5692 4.5590 4.5590 5.1862 5.1862 6.1390 6.1390 6.2150 6.2150 6.3347 6.3347 6.4787 6.4787 6.5215 6.5215 6.6513 6.6513 6.7277 6.7277 6.9047 6.9047 7.2869 7.2869 7.3666 7.3666 7.6697 7.6697 7.8878 7.8878 8.2752 8.2752 8.3983 8.3983 8.4718 8.4718 8.6106 8.6106 8.8537 8.8537 8.8861 8.8861 9.1585 9.1585 9.2728 9.2728 9.4467 9.4467 9.5196 9.5196 9.7347 9.7347 10.1026 10.1026 10.3458 10.3458 12.5649 12.5649 12.9200 12.9200 13.2898 13.2898 14.6631 14.6631 17.0195 17.0195 17.1841 17.1841 17.2732 17.2732 k = 0.5000 0.2887 0.2342 ( 3968 PWs) bands (ev): -14.4124 -14.4124 0.6739 0.6739 1.4157 1.4157 1.5754 1.5754 4.5313 4.5313 5.1918 5.1918 6.1463 6.1463 6.2142 6.2142 6.3259 6.3259 6.4729 6.4729 6.5084 6.5084 6.6120 6.6120 6.7086 6.7086 6.8956 6.8956 7.2838 7.2838 7.3642 7.3642 7.6945 7.6945 7.8888 7.8888 8.2945 8.2945 8.4206 8.4206 8.4751 8.4751 8.6276 8.6276 8.8707 8.8707 8.8773 8.8773 9.1710 9.1710 9.2798 9.2798 9.4248 9.4248 9.5332 9.5332 9.7123 9.7123 10.0726 10.0726 10.3940 10.3940 12.5368 12.5368 12.8492 12.8492 13.4478 13.4478 14.8496 14.8496 16.9828 16.9828 17.2186 17.2186 17.3197 17.3197 k = 0.5000 0.2887 0.2162 ( 3970 PWs) bands (ev): -14.4127 -14.4127 0.6737 0.6737 1.4127 1.4127 1.5813 1.5813 4.5055 4.5055 5.1989 5.1989 6.1476 6.1476 6.2184 6.2184 6.3177 6.3177 6.4625 6.4625 6.5002 6.5002 6.5669 6.5669 6.6953 6.6953 6.8859 6.8859 7.2807 7.2807 7.3621 7.3621 7.7199 7.7199 7.8890 7.8890 8.3149 8.3149 8.4424 8.4424 8.4809 8.4809 8.6447 8.6447 8.8663 8.8663 8.8928 8.8928 9.1798 9.1798 9.2854 9.2854 9.4044 9.4044 9.5464 9.5464 9.6909 9.6909 10.0429 10.0429 10.4404 10.4404 12.5115 12.5115 12.7787 12.7787 13.6086 13.6086 15.0383 15.0383 16.9418 16.9418 17.1715 17.1715 17.4505 17.4505 k = 0.5000 0.2887 0.1982 ( 3974 PWs) bands (ev): -14.4130 -14.4130 0.6734 0.6734 1.4098 1.4098 1.5871 1.5871 4.4816 4.4816 5.2072 5.2072 6.1442 6.1442 6.2256 6.2256 6.3105 6.3105 6.4490 6.4490 6.4954 6.4954 6.5211 6.5211 6.6843 6.6843 6.8754 6.8754 7.2780 7.2780 7.3603 7.3603 7.7447 7.7447 7.8889 7.8889 8.3352 8.3352 8.4628 8.4628 8.4908 8.4908 8.6616 8.6616 8.8592 8.8592 8.9137 8.9137 9.1839 9.1839 9.2896 9.2896 9.3866 9.3866 9.5586 9.5586 9.6710 9.6710 10.0139 10.0139 10.4845 10.4845 12.4889 12.4889 12.7106 12.7106 13.7701 13.7701 15.2283 15.2283 16.9012 16.9012 17.1266 17.1266 17.5703 17.5703 k = 0.5000 0.2887 0.1802 ( 3970 PWs) bands (ev): -14.4133 -14.4133 0.6731 0.6731 1.4070 1.4070 1.5927 1.5927 4.4598 4.4598 5.2167 5.2167 6.1380 6.1380 6.2324 6.2324 6.3047 6.3047 6.4345 6.4345 6.4782 6.4782 6.4923 6.4923 6.6745 6.6745 6.8640 6.8640 7.2759 7.2759 7.3587 7.3587 7.7677 7.7677 7.8889 7.8889 8.3540 8.3540 8.4805 8.4805 8.5066 8.5066 8.6782 8.6782 8.8536 8.8536 8.9353 8.9353 9.1824 9.1824 9.2926 9.2926 9.3718 9.3718 9.5692 9.5692 9.6533 9.6533 9.9859 9.9859 10.5260 10.5260 12.4688 12.4688 12.6461 12.6461 13.9312 13.9312 15.4188 15.4188 16.8623 16.8623 17.0851 17.0851 17.6462 17.6462 k = 0.5000 0.2887 0.1621 ( 3962 PWs) bands (ev): -14.4136 -14.4136 0.6728 0.6728 1.4045 1.4045 1.5979 1.5979 4.4400 4.4400 5.2271 5.2271 6.1308 6.1308 6.2356 6.2356 6.2998 6.2998 6.4194 6.4194 6.4424 6.4424 6.4900 6.4900 6.6655 6.6655 6.8518 6.8518 7.2748 7.2748 7.3572 7.3572 7.7880 7.7880 7.8893 7.8893 8.3700 8.3700 8.4973 8.4973 8.5269 8.5269 8.6945 8.6945 8.8494 8.8494 8.9568 8.9568 9.1749 9.1749 9.2949 9.2949 9.3602 9.3602 9.5769 9.5769 9.6392 9.6392 9.9593 9.9593 10.5645 10.5645 12.4511 12.4511 12.5859 12.5859 14.0910 14.0910 15.6088 15.6088 16.8260 16.8260 17.0474 17.0474 17.6142 17.6142 k = 0.5000 0.2887 0.1441 ( 3958 PWs) bands (ev): -14.4138 -14.4138 0.6725 0.6725 1.4022 1.4022 1.6027 1.6027 4.4222 4.4222 5.2382 5.2382 6.1233 6.1233 6.2330 6.2330 6.2942 6.2942 6.4019 6.4019 6.4196 6.4196 6.4881 6.4881 6.6571 6.6571 6.8387 6.8387 7.2747 7.2747 7.3556 7.3556 7.8049 7.8049 7.8907 7.8907 8.3825 8.3825 8.5154 8.5154 8.5494 8.5494 8.7105 8.7105 8.8469 8.8469 8.9772 8.9772 9.1622 9.1622 9.2963 9.2963 9.3515 9.3515 9.5795 9.5795 9.6311 9.6311 9.9345 9.9345 10.5998 10.5998 12.4354 12.4354 12.5305 12.5305 14.2484 14.2484 15.7969 15.7969 16.7931 16.7931 17.0140 17.0140 17.5107 17.5107 k = 0.5000 0.2887 0.1261 ( 3966 PWs) bands (ev): -14.4141 -14.4141 0.6722 0.6722 1.4000 1.4000 1.6071 1.6071 4.4065 4.4065 5.2496 5.2496 6.1158 6.1158 6.2235 6.2235 6.2863 6.2863 6.3865 6.3865 6.4089 6.4089 6.4869 6.4869 6.6495 6.6495 6.8251 6.8251 7.2755 7.2755 7.3540 7.3540 7.8179 7.8179 7.8934 7.8934 8.3917 8.3917 8.5349 8.5349 8.5726 8.5726 8.7261 8.7261 8.8461 8.8461 8.9952 8.9952 9.1462 9.1462 9.2970 9.2970 9.3447 9.3447 9.5756 9.5756 9.6304 9.6304 9.9117 9.9117 10.6317 10.6317 12.4215 12.4215 12.4809 12.4809 14.4019 14.4019 15.9807 15.9807 16.7643 16.7643 16.9856 16.9856 17.3909 17.3909 k = 0.5000 0.2887 0.1081 ( 3954 PWs) bands (ev): -14.4143 -14.4143 0.6719 0.6719 1.3982 1.3982 1.6111 1.6111 4.3929 4.3929 5.2609 5.2609 6.1087 6.1087 6.2075 6.2075 6.2773 6.2773 6.3766 6.3766 6.4053 6.4053 6.4863 6.4863 6.6427 6.6427 6.8112 6.8112 7.2772 7.2772 7.3523 7.3523 7.8271 7.8271 7.8974 7.8974 8.3983 8.3983 8.5544 8.5544 8.5960 8.5960 8.7414 8.7414 8.8473 8.8473 9.0085 9.0085 9.1296 9.1296 9.2971 9.2971 9.3389 9.3389 9.5680 9.5680 9.6345 9.6345 9.8913 9.8913 10.6598 10.6598 12.4077 12.4077 12.4388 12.4388 14.5497 14.5497 16.1564 16.1564 16.7406 16.7406 16.9621 16.9621 17.2735 17.2735 k = 0.5000 0.2887 0.0901 ( 3952 PWs) bands (ev): -14.4144 -14.4144 0.6716 0.6716 1.3966 1.3966 1.6145 1.6145 4.3813 4.3813 5.2718 5.2718 6.1019 6.1019 6.1878 6.1878 6.2695 6.2695 6.3691 6.3691 6.4071 6.4071 6.4867 6.4867 6.6369 6.6369 6.7976 6.7976 7.2795 7.2795 7.3504 7.3504 7.8329 7.8329 7.9023 7.9023 8.4029 8.4029 8.5725 8.5725 8.6189 8.6189 8.7563 8.7563 8.8504 8.8504 9.0140 9.0140 9.1162 9.1162 9.2967 9.2967 9.3336 9.3336 9.5598 9.5598 9.6403 9.6403 9.8733 9.8733 10.6840 10.6840 12.3872 12.3872 12.4114 12.4114 14.6891 14.6891 16.3166 16.3166 16.7234 16.7234 16.9407 16.9407 17.1735 17.1735 k = 0.5000 0.2887 0.0721 ( 3964 PWs) bands (ev): -14.4146 -14.4146 0.6713 0.6713 1.3953 1.3953 1.6173 1.6173 4.3718 4.3718 5.2817 5.2817 6.0954 6.0954 6.1681 6.1681 6.2637 6.2637 6.3627 6.3627 6.4117 6.4117 6.4880 6.4880 6.6321 6.6321 6.7848 6.7848 7.2821 7.2821 7.3485 7.3485 7.8364 7.8364 7.9072 7.9072 8.4061 8.4061 8.5880 8.5880 8.6402 8.6402 8.7708 8.7708 8.8553 8.8553 9.0090 9.0090 9.1096 9.1096 9.2965 9.2965 9.3282 9.3282 9.5525 9.5525 9.6462 9.6462 9.8582 9.8582 10.7041 10.7041 12.3594 12.3594 12.3997 12.3997 14.8166 14.8166 16.4479 16.4479 16.7143 16.7143 16.9072 16.9072 17.1209 17.1209 k = 0.5000 0.2887 0.0540 ( 3964 PWs) bands (ev): -14.4147 -14.4147 0.6711 0.6711 1.3942 1.3942 1.6195 1.6195 4.3645 4.3645 5.2900 5.2900 6.0894 6.0894 6.1514 6.1514 6.2595 6.2595 6.3575 6.3575 6.4166 6.4166 6.4901 6.4901 6.6284 6.6284 6.7736 6.7736 7.2847 7.2847 7.3466 7.3466 7.8384 7.8384 7.9115 7.9115 8.4083 8.4083 8.6004 8.6004 8.6585 8.6585 8.7852 8.7852 8.8611 8.8611 8.9954 8.9954 9.1089 9.1089 9.2969 9.2969 9.3227 9.3227 9.5467 9.5467 9.6514 9.6514 9.8460 9.8460 10.7198 10.7198 12.3352 12.3352 12.3928 12.3928 14.9272 14.9272 16.5344 16.5344 16.7121 16.7121 16.8514 16.8514 17.1472 17.1472 k = 0.5000 0.2887 0.0360 ( 3968 PWs) bands (ev): -14.4148 -14.4148 0.6710 0.6710 1.3935 1.3935 1.6212 1.6212 4.3592 4.3592 5.2965 5.2965 6.0841 6.0841 6.1393 6.1393 6.2566 6.2566 6.3536 6.3536 6.4205 6.4205 6.4925 6.4925 6.6258 6.6258 6.7648 6.7648 7.2870 7.2870 7.3451 7.3451 7.8395 7.8395 7.9148 7.9148 8.4097 8.4097 8.6093 8.6093 8.6721 8.6721 8.7990 8.7990 8.8666 8.8666 8.9785 8.9785 9.1108 9.1108 9.2984 9.2984 9.3171 9.3171 9.5425 9.5425 9.6554 9.6554 9.8371 9.8371 10.7312 10.7312 12.3173 12.3173 12.3884 12.3884 15.0144 15.0144 16.5773 16.5773 16.7037 16.7037 16.8018 16.8018 17.2396 17.2396 k = 0.5000 0.2887 0.0180 ( 3956 PWs) bands (ev): -14.4148 -14.4148 0.6709 0.6709 1.3930 1.3930 1.6222 1.6222 4.3560 4.3560 5.3005 5.3005 6.0803 6.0803 6.1322 6.1322 6.2550 6.2550 6.3513 6.3513 6.4229 6.4229 6.4944 6.4944 6.6242 6.6242 6.7591 6.7591 7.2885 7.2885 7.3440 7.3440 7.8400 7.8400 7.9168 7.9168 8.4106 8.4106 8.6147 8.6147 8.6803 8.6803 8.8102 8.8102 8.8706 8.8706 8.9646 8.9646 9.1125 9.1125 9.3010 9.3010 9.3119 9.3119 9.5401 9.5401 9.6579 9.6579 9.8317 9.8317 10.7381 10.7381 12.3065 12.3065 12.3858 12.3858 15.0711 15.0711 16.5969 16.5969 16.6788 16.6788 16.7817 16.7817 17.3626 17.3626 k = 0.5000 0.2887-0.0000 ( 3952 PWs) bands (ev): -14.4148 -14.4148 0.6709 0.6709 1.3929 1.3929 1.6225 1.6225 4.3550 4.3550 5.3019 5.3019 6.0789 6.0789 6.1299 6.1299 6.2544 6.2544 6.3505 6.3505 6.4237 6.4237 6.4951 6.4951 6.6236 6.6236 6.7572 6.7572 7.2891 7.2891 7.3436 7.3436 7.8401 7.8401 7.9175 7.9175 8.4108 8.4108 8.6165 8.6165 8.6830 8.6830 8.8148 8.8148 8.8720 8.8720 8.9590 8.9590 9.1132 9.1132 9.3032 9.3032 9.3088 9.3088 9.5393 9.5393 9.6588 9.6588 9.8298 9.8298 10.7404 10.7404 12.3028 12.3028 12.3850 12.3850 15.0909 15.0909 16.6044 16.6044 16.6637 16.6637 16.7781 16.7781 17.4431 17.4431 k = 0.3333 0.5774-0.0000 ( 3975 PWs) bands (ev): -14.4146 -14.4146 0.6727 0.6727 1.3891 1.3891 1.6067 1.6067 4.8026 4.8026 4.8742 4.8742 6.0794 6.0794 6.2011 6.2011 6.2417 6.2417 6.3014 6.3014 6.4533 6.4533 6.4654 6.4654 6.6664 6.6664 6.6677 6.6677 7.1488 7.1488 7.8954 7.8954 7.9193 7.9193 8.0358 8.0358 8.2926 8.2926 8.3769 8.3769 8.6534 8.6534 8.8759 8.8759 8.9465 8.9465 8.9793 8.9793 9.0685 9.0685 9.1033 9.1033 9.5199 9.5199 9.5633 9.5633 9.7594 9.7594 9.8535 9.8535 10.2838 10.2838 10.7002 10.7002 15.0254 15.0254 15.1197 15.1197 15.6590 15.6590 16.1067 16.1067 16.2914 16.2914 17.7946 17.7946 k = 0.3333 0.5774 0.0180 ( 3975 PWs) bands (ev): -14.4146 -14.4146 0.6727 0.6727 1.3893 1.3893 1.6064 1.6064 4.8030 4.8030 4.8746 4.8746 6.0793 6.0793 6.2031 6.2031 6.2403 6.2403 6.3054 6.3054 6.4445 6.4445 6.4711 6.4711 6.6589 6.6589 6.6806 6.6806 7.1486 7.1486 7.8941 7.8941 7.9173 7.9173 8.0327 8.0327 8.2923 8.2923 8.3747 8.3747 8.6535 8.6535 8.8710 8.8710 8.9374 8.9374 8.9903 8.9903 9.0707 9.0707 9.1060 9.1060 9.5197 9.5197 9.5626 9.5626 9.7600 9.7600 9.8554 9.8554 10.2846 10.2846 10.6983 10.6983 15.0265 15.0265 15.1210 15.1210 15.6580 15.6580 16.0881 16.0881 16.2728 16.2728 17.8142 17.8142 k = 0.3333 0.5774 0.0360 ( 3975 PWs) bands (ev): -14.4145 -14.4145 0.6728 0.6728 1.3899 1.3899 1.6055 1.6055 4.8043 4.8043 4.8757 4.8757 6.0790 6.0790 6.2086 6.2086 6.2371 6.2371 6.3164 6.3164 6.4301 6.4301 6.4767 6.4767 6.6566 6.6566 6.6986 6.6986 7.1481 7.1481 7.8900 7.8900 7.9112 7.9112 8.0240 8.0240 8.2907 8.2907 8.3690 8.3690 8.6536 8.6536 8.8572 8.8572 8.9228 8.9228 9.0092 9.0092 9.0784 9.0784 9.1135 9.1135 9.5189 9.5189 9.5604 9.5604 9.7618 9.7618 9.8611 9.8611 10.2871 10.2871 10.6925 10.6925 15.0292 15.0292 15.1247 15.1247 15.6547 15.6547 16.0355 16.0355 16.2209 16.2209 17.8698 17.8698 k = 0.3333 0.5774 0.0540 ( 3978 PWs) bands (ev): -14.4144 -14.4144 0.6729 0.6729 1.3909 1.3909 1.6039 1.6039 4.8065 4.8065 4.8775 4.8775 6.0787 6.0787 6.2169 6.2169 6.2338 6.2338 6.3325 6.3325 6.4149 6.4149 6.4787 6.4787 6.6602 6.6602 6.7202 6.7202 7.1471 7.1471 7.8833 7.8833 7.9007 7.9007 8.0105 8.0105 8.2857 8.2857 8.3624 8.3624 8.6538 8.6538 8.8362 8.8362 8.9098 8.9098 9.0259 9.0259 9.0939 9.0939 9.1242 9.1242 9.5175 9.5175 9.5568 9.5568 9.7648 9.7648 9.8703 9.8703 10.2917 10.2917 10.6830 10.6830 15.0321 15.0321 15.1295 15.1295 15.6478 15.6478 15.9563 15.9563 16.1454 16.1454 17.9534 17.9534 k = 0.3333 0.5774 0.0721 ( 3972 PWs) bands (ev): -14.4143 -14.4143 0.6731 0.6731 1.3922 1.3922 1.6018 1.6018 4.8095 4.8095 4.8802 4.8802 6.0789 6.0789 6.2269 6.2269 6.2315 6.2315 6.3525 6.3525 6.4009 6.4009 6.4773 6.4773 6.6687 6.6687 6.7446 6.7446 7.1457 7.1457 7.8740 7.8740 7.8853 7.8853 7.9934 7.9934 8.2751 8.2751 8.3582 8.3582 8.6537 8.6537 8.8099 8.8099 8.8990 8.8990 9.0374 9.0374 9.1179 9.1179 9.1362 9.1362 9.5158 9.5158 9.5517 9.5517 9.7689 9.7689 9.8825 9.8825 10.2990 10.2990 10.6698 10.6698 15.0325 15.0325 15.1331 15.1331 15.6353 15.6353 15.8608 15.8608 16.0587 16.0587 18.0557 18.0557 k = 0.3333 0.5774 0.0901 ( 3972 PWs) bands (ev): -14.4142 -14.4142 0.6733 0.6733 1.3939 1.3939 1.5991 1.5991 4.8135 4.8135 4.8837 4.8837 6.0798 6.0798 6.2307 6.2307 6.2365 6.2365 6.3758 6.3758 6.3902 6.3902 6.4736 6.4736 6.6812 6.6812 6.7711 6.7711 7.1438 7.1438 7.8622 7.8622 7.8647 7.8647 7.9740 7.9740 8.2588 8.2588 8.3575 8.3575 8.6533 8.6533 8.7798 8.7798 8.8904 8.8904 9.0448 9.0448 9.1478 9.1478 9.1484 9.1484 9.5135 9.5135 9.5453 9.5453 9.7742 9.7742 9.8969 9.8969 10.3098 10.3098 10.6531 10.6531 15.0251 15.0251 15.1307 15.1307 15.6147 15.6147 15.7606 15.7606 15.9748 15.9748 18.1642 18.1642 k = 0.3333 0.5774 0.1081 ( 3972 PWs) bands (ev): -14.4140 -14.4140 0.6736 0.6736 1.3960 1.3960 1.5958 1.5958 4.8186 4.8186 4.8882 4.8882 6.0815 6.0815 6.2315 6.2315 6.2434 6.2434 6.3853 6.3853 6.4020 6.4020 6.4685 6.4685 6.6964 6.6964 6.7989 6.7989 7.1414 7.1414 7.8388 7.8388 7.8479 7.8479 7.9530 7.9530 8.2389 8.2389 8.3592 8.3592 8.6527 8.6527 8.7470 8.7470 8.8836 8.8836 9.0502 9.0502 9.1599 9.1599 9.1807 9.1807 9.5109 9.5109 9.5374 9.5374 9.7804 9.7804 9.9122 9.9122 10.3252 10.3252 10.6330 10.6330 15.0015 15.0015 15.1140 15.1140 15.5861 15.5861 15.6691 15.6691 15.9063 15.9063 18.2069 18.2069 k = 0.3333 0.5774 0.1261 ( 3978 PWs) bands (ev): -14.4138 -14.4138 0.6738 0.6738 1.3984 1.3984 1.5920 1.5920 4.8247 4.8247 4.8936 4.8936 6.0840 6.0840 6.2341 6.2341 6.2455 6.2455 6.3884 6.3884 6.4308 6.4308 6.4630 6.4630 6.7136 6.7136 6.8276 6.8276 7.1385 7.1385 7.8082 7.8082 7.8314 7.8314 7.9308 7.9308 8.2175 8.2175 8.3621 8.3621 8.6519 8.6519 8.7125 8.7125 8.8786 8.8786 9.0542 9.0542 9.1701 9.1701 9.2149 9.2149 9.5079 9.5079 9.5281 9.5281 9.7876 9.7876 9.9272 9.9272 10.3464 10.3464 10.6099 10.6099 14.9511 14.9511 15.0715 15.0715 15.5582 15.5582 15.6006 15.6006 15.8590 15.8590 18.1638 18.1638 k = 0.3333 0.5774 0.1441 ( 3984 PWs) bands (ev): -14.4136 -14.4136 0.6741 0.6741 1.4011 1.4011 1.5878 1.5878 4.8320 4.8320 4.9002 4.9002 6.0872 6.0872 6.2382 6.2382 6.2425 6.2425 6.3995 6.3995 6.4578 6.4578 6.4619 6.4619 6.7321 6.7321 6.8565 6.8565 7.1348 7.1348 7.7738 7.7738 7.8128 7.8128 7.9073 7.9073 8.1965 8.1965 8.3651 8.3651 8.6510 8.6510 8.6771 8.6771 8.8749 8.8749 9.0574 9.0574 9.1788 9.1788 9.2493 9.2493 9.5047 9.5047 9.5176 9.5176 9.7957 9.7957 9.9402 9.9402 10.3740 10.3740 10.5846 10.5846 14.8670 14.8670 14.9947 14.9947 15.5447 15.5447 15.5645 15.5645 15.8293 15.8293 18.1083 18.1083 k = 0.3333 0.5774 0.1621 ( 3981 PWs) bands (ev): -14.4133 -14.4133 0.6744 0.6744 1.4041 1.4041 1.5831 1.5831 4.8405 4.8405 4.9079 4.9079 6.0906 6.0906 6.2362 6.2362 6.2439 6.2439 6.4158 6.4158 6.4543 6.4543 6.4949 6.4949 6.7514 6.7514 6.8851 6.8851 7.1303 7.1303 7.7365 7.7365 7.7925 7.7925 7.8828 7.8828 8.1769 8.1769 8.3678 8.3678 8.6413 8.6413 8.6501 8.6501 8.8725 8.8725 9.0597 9.0597 9.1856 9.1856 9.2835 9.2835 9.5014 9.5014 9.5058 9.5058 9.8046 9.8046 9.9500 9.9500 10.4071 10.4071 10.5590 10.5590 14.7519 14.7519 14.8856 14.8856 15.5516 15.5516 15.5599 15.5599 15.8100 15.8100 18.0486 18.0486 k = 0.3333 0.5774 0.1802 ( 3969 PWs) bands (ev): -14.4131 -14.4131 0.6747 0.6747 1.4074 1.4074 1.5781 1.5781 4.8503 4.8503 4.9168 4.9168 6.0938 6.0938 6.2289 6.2289 6.2510 6.2510 6.4299 6.4299 6.4578 6.4578 6.5297 6.5297 6.7712 6.7712 6.9129 6.9129 7.1248 7.1248 7.6977 7.6977 7.7709 7.7709 7.8576 7.8576 8.1592 8.1592 8.3700 8.3700 8.6058 8.6058 8.6492 8.6492 8.8712 8.8712 9.0612 9.0612 9.1905 9.1905 9.3172 9.3172 9.4930 9.4930 9.4979 9.4979 9.8142 9.8142 9.9559 9.9559 10.4385 10.4385 10.5412 10.5412 14.6144 14.6144 14.7535 14.7535 15.5751 15.5751 15.5795 15.5795 15.7957 15.7957 17.9871 17.9871 k = 0.3333 0.5774 0.1982 ( 3969 PWs) bands (ev): -14.4128 -14.4128 0.6749 0.6749 1.4109 1.4109 1.5727 1.5727 4.8614 4.8614 4.9271 4.9271 6.0961 6.0961 6.2229 6.2229 6.2593 6.2593 6.4325 6.4325 6.4759 6.4759 6.5657 6.5657 6.7911 6.7911 6.9392 6.9392 7.1181 7.1181 7.6581 7.6581 7.7484 7.7484 7.8323 7.8323 8.1436 8.1436 8.3714 8.3714 8.5709 8.5709 8.6483 8.6483 8.8712 8.8712 9.0620 9.0620 9.1934 9.1934 9.3499 9.3499 9.4796 9.4796 9.4944 9.4944 9.8244 9.8244 9.9574 9.9574 10.4432 10.4432 10.5560 10.5560 14.4625 14.4625 14.6068 14.6068 15.6089 15.6089 15.6160 15.6160 15.7838 15.7838 17.9260 17.9260 k = 0.3333 0.5774 0.2162 ( 3975 PWs) bands (ev): -14.4125 -14.4125 0.6752 0.6752 1.4147 1.4147 1.5671 1.5671 4.8740 4.8740 4.9388 4.9388 6.0966 6.0966 6.2197 6.2197 6.2687 6.2687 6.4301 6.4301 6.5003 6.5003 6.6024 6.6024 6.8109 6.8109 6.9635 6.9635 7.1098 7.1098 7.6191 7.6191 7.7258 7.7258 7.8080 7.8080 8.1301 8.1301 8.3722 8.3722 8.5373 8.5373 8.6474 8.6474 8.8723 8.8723 9.0620 9.0620 9.1945 9.1945 9.3809 9.3809 9.4665 9.4665 9.4910 9.4910 9.8352 9.8352 9.9547 9.9547 10.4175 10.4175 10.6069 10.6069 14.3020 14.3020 14.4513 14.4513 15.6449 15.6449 15.6643 15.6643 15.7758 15.7758 17.8675 17.8675 k = 0.3333 0.5774 0.2342 ( 3975 PWs) bands (ev): -14.4122 -14.4122 0.6754 0.6754 1.4186 1.4186 1.5613 1.5613 4.8882 4.8882 4.9520 4.9520 6.0949 6.0949 6.2204 6.2204 6.2790 6.2790 6.4270 6.4270 6.5256 6.5256 6.6395 6.6395 6.8300 6.8300 6.9852 6.9852 7.0996 7.0996 7.5815 7.5815 7.7038 7.7038 7.7857 7.7857 8.1186 8.1186 8.3723 8.3723 8.5052 8.5052 8.6466 8.6466 8.8747 8.8747 9.0613 9.0613 9.1937 9.1937 9.4059 9.4059 9.4583 9.4583 9.4877 9.4877 9.8464 9.8464 9.9481 9.9481 10.3803 10.3803 10.6741 10.6741 14.1363 14.1363 14.2908 14.2908 15.6667 15.6667 15.7212 15.7212 15.7835 15.7835 17.8135 17.8135 k = 0.3333 0.5774 0.2522 ( 3978 PWs) bands (ev): -14.4118 -14.4118 0.6756 0.6756 1.4228 1.4228 1.5553 1.5553 4.9039 4.9039 4.9668 4.9668 6.0909 6.0909 6.2251 6.2251 6.2900 6.2900 6.4240 6.4240 6.5495 6.5495 6.6761 6.6761 6.8479 6.8479 7.0038 7.0038 7.0873 7.0873 7.5466 7.5466 7.6833 7.6833 7.7665 7.7665 8.1089 8.1089 8.3720 8.3720 8.4752 8.4752 8.6457 8.6457 8.8783 8.8783 9.0599 9.0599 9.1912 9.1912 9.4109 9.4109 9.4690 9.4690 9.4846 9.4846 9.8579 9.8579 9.9381 9.9381 10.3383 10.3383 10.7506 10.7506 13.9677 13.9677 14.1274 14.1274 15.6580 15.6580 15.7848 15.7848 15.8200 15.8200 17.7660 17.7660 k = 0.3333 0.5774 0.2702 ( 3978 PWs) bands (ev): -14.4115 -14.4115 0.6757 0.6757 1.4270 1.4270 1.5491 1.5491 4.9214 4.9214 4.9833 4.9833 6.0851 6.0851 6.2336 6.2336 6.3014 6.3014 6.4215 6.4215 6.5703 6.5703 6.7118 6.7118 6.8639 6.8639 7.0190 7.0190 7.0724 7.0724 7.5159 7.5159 7.6653 7.6653 7.7517 7.7517 8.1010 8.1010 8.3713 8.3713 8.4475 8.4475 8.6448 8.6448 8.8832 8.8832 9.0580 9.0580 9.1872 9.1872 9.3986 9.3986 9.4817 9.4817 9.4961 9.4961 9.8697 9.8697 9.9249 9.9249 10.2934 10.2934 10.8339 10.8339 13.7978 13.7978 13.9626 13.9626 15.6261 15.6261 15.8536 15.8536 15.8754 15.8754 17.7266 17.7266 k = 0.3333 0.5774 0.2883 ( 3972 PWs) bands (ev): -14.4111 -14.4111 0.6758 0.6758 1.4314 1.4314 1.5430 1.5430 4.9405 4.9405 5.0014 5.0014 6.0783 6.0783 6.2449 6.2449 6.3129 6.3129 6.4194 6.4194 6.5867 6.5867 6.7456 6.7456 6.8772 6.8772 7.0305 7.0305 7.0547 7.0547 7.4908 7.4908 7.6509 7.6509 7.7420 7.7420 8.0947 8.0947 8.3703 8.3703 8.4226 8.4226 8.6438 8.6438 8.8894 8.8894 9.0556 9.0556 9.1818 9.1818 9.3812 9.3812 9.4791 9.4791 9.5276 9.5276 9.8816 9.8816 9.9090 9.9090 10.2465 10.2465 10.9228 10.9228 13.6277 13.6277 13.7977 13.7977 15.5795 15.5795 15.9267 15.9267 15.9397 15.9397 17.6965 17.6965 k = 0.3333 0.5774 0.3063 ( 3972 PWs) bands (ev): -14.4107 -14.4107 0.6758 0.6758 1.4358 1.4358 1.5368 1.5368 4.9614 4.9614 5.0214 5.0214 6.0711 6.0711 6.2584 6.2584 6.3242 6.3242 6.4177 6.4177 6.5976 6.5976 6.7767 6.7767 6.8866 6.8866 7.0345 7.0345 7.0383 7.0383 7.4732 7.4732 7.6407 7.6407 7.7380 7.7380 8.0900 8.0900 8.3693 8.3693 8.4007 8.4007 8.6429 8.6429 8.8970 8.8970 9.0528 9.0528 9.1754 9.1754 9.3619 9.3619 9.4767 9.4767 9.5603 9.5603 9.8907 9.8907 9.8936 9.8936 10.1981 10.1981 11.0164 11.0164 13.4581 13.4581 13.6333 13.6333 15.5208 15.5208 16.0033 16.0033 16.0090 16.0090 17.6764 17.6764 k = 0.3333 0.5774 0.3243 ( 3966 PWs) bands (ev): -14.4104 -14.4104 0.6757 0.6757 1.4403 1.4403 1.5307 1.5307 4.9841 4.9841 5.0431 5.0431 6.0639 6.0639 6.2732 6.2732 6.3347 6.3347 6.4164 6.4164 6.6019 6.6019 6.8040 6.8040 6.8912 6.8912 7.0123 7.0123 7.0426 7.0426 7.4647 7.4647 7.6352 7.6352 7.7396 7.7396 8.0869 8.0869 8.3683 8.3683 8.3823 8.3823 8.6419 8.6419 8.9059 8.9059 9.0497 9.0497 9.1683 9.1683 9.3415 9.3415 9.4746 9.4746 9.5932 9.5932 9.8703 9.8703 9.9055 9.9055 10.1489 10.1489 11.1141 11.1141 13.2899 13.2899 13.4702 13.4702 15.4511 15.4511 16.0817 16.0817 16.0829 16.0829 17.6665 17.6665 k = 0.3333 0.5774 0.3423 ( 3972 PWs) bands (ev): -14.4100 -14.4100 0.6756 0.6756 1.4448 1.4448 1.5246 1.5246 5.0086 5.0086 5.0667 5.0667 6.0571 6.0571 6.2888 6.2888 6.3440 6.3440 6.4153 6.4153 6.5996 6.5996 6.8260 6.8260 6.8903 6.8903 6.9896 6.9896 7.0435 7.0435 7.4667 7.4667 7.6347 7.6347 7.7465 7.7465 8.0856 8.0856 8.3674 8.3674 8.3676 8.3676 8.6410 8.6410 8.9161 8.9161 9.0462 9.0462 9.1608 9.1608 9.3205 9.3205 9.4727 9.4727 9.6254 9.6254 9.8486 9.8486 9.9172 9.9172 10.0995 10.0995 11.2155 11.2155 13.1236 13.1236 13.3089 13.3089 15.3712 15.3712 16.1569 16.1569 16.1650 16.1650 17.6665 17.6665 k = 0.3333 0.5774 0.3603 ( 3975 PWs) bands (ev): -14.4096 -14.4096 0.6754 0.6754 1.4492 1.4492 1.5188 1.5188 5.0350 5.0350 5.0922 5.0922 6.0510 6.0510 6.3040 6.3040 6.3511 6.3511 6.4144 6.4144 6.5909 6.5909 6.8402 6.8402 6.8840 6.8840 6.9696 6.9696 7.0414 7.0414 7.4795 7.4795 7.6385 7.6385 7.7579 7.7579 8.0861 8.0861 8.3572 8.3572 8.3666 8.3666 8.6403 8.6403 8.9276 8.9276 9.0425 9.0425 9.1532 9.1532 9.2990 9.2990 9.4711 9.4711 9.6550 9.6550 9.8270 9.8270 9.9287 9.9287 10.0507 10.0507 11.3200 11.3200 12.9597 12.9597 13.1498 13.1498 15.2820 15.2820 16.2339 16.2339 16.2490 16.2490 17.6759 17.6759 k = 0.3333 0.5774 0.3783 ( 3978 PWs) bands (ev): -14.4093 -14.4093 0.6752 0.6752 1.4536 1.4536 1.5131 1.5131 5.0633 5.0633 5.1195 5.1195 6.0456 6.0456 6.3178 6.3178 6.3554 6.3554 6.4133 6.4133 6.5776 6.5776 6.8430 6.8430 6.8725 6.8725 6.9568 6.9568 7.0372 7.0372 7.5023 7.5023 7.6461 7.6461 7.7728 7.7728 8.0885 8.0885 8.3512 8.3512 8.3661 8.3661 8.6399 8.6399 8.9405 8.9405 9.0385 9.0385 9.1460 9.1460 9.2773 9.2773 9.4697 9.4697 9.6776 9.6776 9.8094 9.8094 9.9398 9.9398 10.0037 10.0037 11.4274 11.4274 12.7987 12.7987 12.9935 12.9935 15.1845 15.1845 16.3122 16.3122 16.3347 16.3347 17.6935 17.6935 k = 0.3333 0.5774 0.3964 ( 3978 PWs) bands (ev): -14.4089 -14.4089 0.6749 0.6749 1.4579 1.4579 1.5076 1.5076 5.0935 5.0935 5.1487 5.1487 6.0410 6.0410 6.3280 6.3280 6.3556 6.3556 6.4119 6.4119 6.5622 6.5622 6.8335 6.8335 6.8566 6.8566 6.9537 6.9537 7.0314 7.0314 7.5336 7.5336 7.6562 7.6562 7.7901 7.7901 8.0931 8.0931 8.3501 8.3501 8.3658 8.3658 8.6400 8.6400 8.9544 8.9544 9.0343 9.0343 9.1396 9.1396 9.2556 9.2556 9.4686 9.4686 9.6837 9.6837 9.8035 9.8035 9.9505 9.9505 9.9607 9.9607 11.5373 11.5373 12.6412 12.6412 12.8403 12.8403 15.0797 15.0797 16.3913 16.3913 16.4217 16.4217 17.7183 17.7183 k = 0.3333 0.5774 0.4144 ( 3966 PWs) bands (ev): -14.4086 -14.4086 0.6746 0.6746 1.4620 1.4620 1.5024 1.5024 5.1256 5.1256 5.1799 5.1799 6.0373 6.0373 6.3311 6.3311 6.3505 6.3505 6.4104 6.4104 6.5488 6.5488 6.8165 6.8165 6.8372 6.8372 6.9573 6.9573 7.0245 7.0245 7.5716 7.5716 7.6675 7.6675 7.8089 7.8089 8.0998 8.0998 8.3540 8.3540 8.3657 8.3657 8.6407 8.6407 8.9693 8.9693 9.0300 9.0300 9.1345 9.1345 9.2342 9.2342 9.4678 9.4678 9.6681 9.6681 9.8092 9.8092 9.9275 9.9275 9.9606 9.9606 11.6493 11.6493 12.4876 12.4876 12.6910 12.6910 14.9688 14.9688 16.4710 16.4710 16.5097 16.5097 17.7490 17.7490 k = 0.3333 0.5774 0.4324 ( 3972 PWs) bands (ev): -14.4083 -14.4083 0.6742 0.6742 1.4660 1.4660 1.4975 1.4975 5.1595 5.1595 5.2128 5.2128 6.0343 6.0343 6.3227 6.3227 6.3390 6.3390 6.4098 6.4098 6.5414 6.5414 6.7982 6.7982 6.8155 6.8155 6.9635 6.9635 7.0167 7.0167 7.6144 7.6144 7.6790 7.6790 7.8282 7.8282 8.1089 8.1089 8.3628 8.3628 8.3658 8.3658 8.6421 8.6421 8.9842 8.9842 9.0262 9.0262 9.1310 9.1310 9.2133 9.2133 9.4672 9.4672 9.6376 9.6376 9.8063 9.8063 9.9182 9.9182 9.9701 9.9701 11.7631 11.7631 12.3386 12.3386 12.5461 12.5461 14.8527 14.8527 16.5506 16.5506 16.5984 16.5984 17.7843 17.7843 k = 0.3333 0.5774 0.4504 ( 3966 PWs) bands (ev): -14.4080 -14.4080 0.6738 0.6738 1.4698 1.4698 1.4929 1.4929 5.1953 5.1953 5.2475 5.2475 6.0322 6.0322 6.3007 6.3007 6.3203 6.3203 6.4110 6.4110 6.5424 6.5424 6.7823 6.7823 6.7924 6.7924 6.9699 6.9699 7.0079 7.0079 7.6601 7.6601 7.6895 7.6895 7.8475 7.8475 8.1202 8.1202 8.3661 8.3661 8.3762 8.3762 8.6446 8.6446 8.9959 8.9959 9.0259 9.0259 9.1297 9.1297 9.1933 9.1933 9.4670 9.4670 9.5994 9.5994 9.7826 9.7826 9.9383 9.9383 9.9788 9.9788 11.8775 11.8775 12.1948 12.1948 12.4069 12.4069 14.7323 14.7323 16.6299 16.6299 16.6875 16.6875 17.8227 17.8227 k = 0.3333 0.5774 0.4684 ( 3963 PWs) bands (ev): -14.4077 -14.4077 0.6733 0.6733 1.4733 1.4733 1.4886 1.4886 5.2329 5.2329 5.2840 5.2840 6.0306 6.0306 6.2672 6.2672 6.2943 6.2943 6.4134 6.4134 6.5510 6.5510 6.7689 6.7689 6.7707 6.7707 6.9756 6.9756 6.9981 6.9981 7.6985 7.6985 7.7069 7.7069 7.8668 7.8668 8.1334 8.1334 8.3664 8.3664 8.3934 8.3934 8.6483 8.6483 8.9976 8.9976 9.0356 9.0356 9.1310 9.1310 9.1744 9.1744 9.4672 9.4672 9.5569 9.5569 9.7493 9.7493 9.9737 9.9737 9.9867 9.9867 11.9890 11.9890 12.0569 12.0569 12.2775 12.2775 14.6085 14.6085 16.7083 16.7083 16.7768 16.7768 17.8630 17.8630 k = 0.3333 0.5774 0.4864 ( 3951 PWs) bands (ev): -14.4074 -14.4074 0.6729 0.6729 1.4767 1.4767 1.4847 1.4847 5.2721 5.2721 5.3220 5.3220 6.0295 6.0295 6.2261 6.2261 6.2615 6.2615 6.4159 6.4159 6.5650 6.5650 6.7459 6.7459 6.7636 6.7636 6.9805 6.9805 6.9873 6.9873 7.7055 7.7055 7.7524 7.7524 7.8867 7.8867 8.1481 8.1481 8.3668 8.3668 8.4133 8.4133 8.6534 8.6534 8.9916 8.9916 9.0530 9.0530 9.1352 9.1352 9.1570 9.1570 9.4678 9.4678 9.5122 9.5122 9.7137 9.7137 9.9937 9.9937 10.0156 10.0156 11.9259 11.9259 12.0621 12.0621 12.1937 12.1937 14.4820 14.4820 16.7853 16.7853 16.8661 16.8661 17.9039 17.9039 k = 0.3333 0.5774 0.5045 ( 3948 PWs) bands (ev): -14.4071 -14.4071 0.6724 0.6724 1.4797 1.4797 1.4812 1.4812 5.3130 5.3130 5.3615 5.3615 6.0284 6.0284 6.1804 6.1804 6.2231 6.2231 6.4182 6.4182 6.5822 6.5822 6.7241 6.7241 6.7605 6.7605 6.9752 6.9752 6.9844 6.9844 7.7104 7.7104 7.7937 7.7937 7.9091 7.9091 8.1634 8.1634 8.3672 8.3672 8.4347 8.4347 8.6598 8.6598 8.9825 8.9825 9.0732 9.0732 9.1410 9.1410 9.1425 9.1425 9.4669 9.4669 9.4689 9.4689 9.6781 9.6781 9.9997 9.9997 10.0609 10.0609 11.8026 11.8026 11.9883 11.9883 12.2647 12.2647 14.3534 14.3534 16.8603 16.8603 16.9551 16.9551 17.9438 17.9438 k = 0.3333 0.5774 0.5225 ( 3948 PWs) bands (ev): -14.4069 -14.4069 0.6720 0.6720 1.4780 1.4780 1.4824 1.4824 5.3553 5.3553 5.4021 5.4021 6.0264 6.0264 6.1329 6.1329 6.1805 6.1805 6.4203 6.4203 6.6008 6.6008 6.7045 6.7045 6.7606 6.7606 6.9621 6.9621 6.9874 6.9874 7.7136 7.7136 7.8271 7.8271 7.9364 7.9364 8.1784 8.1784 8.3675 8.3675 8.4562 8.4562 8.6675 8.6675 8.9722 8.9722 9.0947 9.0947 9.1263 9.1263 9.1527 9.1527 9.4224 9.4224 9.4705 9.4705 9.6432 9.6432 10.0048 10.0048 10.1078 10.1078 11.6883 11.6883 11.8782 11.8782 12.3806 12.3806 14.2233 14.2233 16.9325 16.9325 17.0434 17.0434 17.9814 17.9814 k = 0.3333 0.5774 0.5405 ( 3942 PWs) bands (ev): -14.4067 -14.4067 0.6716 0.6716 1.4753 1.4753 1.4848 1.4848 5.3989 5.3989 5.4436 5.4436 6.0200 6.0200 6.0884 6.0884 6.1351 6.1351 6.4222 6.4222 6.6185 6.6185 6.6888 6.6888 6.7628 6.7628 6.9480 6.9480 6.9897 6.9897 7.7153 7.7153 7.8509 7.8509 7.9698 7.9698 8.1922 8.1922 8.3677 8.3677 8.4766 8.4766 8.6763 8.6763 8.9618 8.9618 9.1125 9.1125 9.1166 9.1166 9.1653 9.1653 9.3804 9.3804 9.4727 9.4727 9.6096 9.6096 10.0087 10.0087 10.1553 10.1553 11.5842 11.5842 11.7714 11.7714 12.5028 12.5028 14.0922 14.0922 17.0009 17.0009 17.1307 17.1307 18.0150 18.0150 k = 0.3333 0.5774 0.5585 ( 3942 PWs) bands (ev): -14.4065 -14.4065 0.6712 0.6712 1.4730 1.4730 1.4869 1.4869 5.4433 5.4433 5.4854 5.4854 5.9982 5.9982 6.0589 6.0589 6.0887 6.0887 6.4237 6.4237 6.6308 6.6308 6.6809 6.6809 6.7662 6.7662 6.9333 6.9333 6.9914 6.9914 7.7158 7.7158 7.8666 7.8666 8.0067 8.0067 8.2039 8.2039 8.3678 8.3678 8.4948 8.4948 8.6855 8.6855 8.9527 8.9527 9.0988 9.0988 9.1381 9.1381 9.1796 9.1796 9.3424 9.3424 9.4755 9.4755 9.5776 9.5776 10.0117 10.0117 10.2018 10.2018 11.4919 11.4919 11.6732 11.6732 12.6274 12.6274 13.9607 13.9607 17.0643 17.0643 17.2164 17.2164 18.0430 18.0430 k = 0.3333 0.5774 0.5765 ( 3951 PWs) bands (ev): -14.4064 -14.4064 0.6709 0.6709 1.4711 1.4711 1.4886 1.4886 5.4881 5.4881 5.5266 5.5266 5.9573 5.9573 6.0427 6.0427 6.0492 6.0492 6.4250 6.4250 6.6320 6.6320 6.6860 6.6860 6.7700 6.7700 6.9184 6.9184 6.9926 6.9926 7.7157 7.7157 7.8769 7.8769 8.0436 8.0436 8.2127 8.2127 8.3678 8.3678 8.5102 8.5102 8.6943 8.6943 8.9465 8.9465 9.0846 9.0846 9.1581 9.1581 9.1942 9.1942 9.3106 9.3106 9.4787 9.4787 9.5480 9.5480 10.0137 10.0137 10.2456 10.2456 11.4130 11.4130 11.5863 11.5863 12.7531 12.7531 13.8294 13.8294 17.1210 17.1210 17.2995 17.2995 18.0632 18.0632 k = 0.3333 0.5774 0.5945 ( 3951 PWs) bands (ev): -14.4063 -14.4063 0.6707 0.6707 1.4696 1.4696 1.4900 1.4900 5.5321 5.5321 5.5658 5.5658 5.9111 5.9111 5.9993 5.9993 6.0467 6.0467 6.4261 6.4261 6.6263 6.6263 6.6992 6.6992 6.7735 6.7735 6.9041 6.9041 6.9934 6.9934 7.7152 7.7152 7.8836 7.8836 8.0773 8.0773 8.2180 8.2180 8.3677 8.3677 8.5222 8.5222 8.7017 8.7017 8.9441 8.9441 9.0693 9.0693 9.1749 9.1749 9.2076 9.2076 9.2870 9.2870 9.4820 9.4820 9.5217 9.5217 10.0148 10.0148 10.2845 10.2845 11.3492 11.3492 11.5136 11.5136 12.8789 12.8789 13.6992 13.6992 17.1691 17.1691 17.3782 17.3782 18.0083 18.0083 k = 0.3333 0.5774 0.6125 ( 3939 PWs) bands (ev): -14.4062 -14.4062 0.6705 0.6705 1.4685 1.4685 1.4910 1.4910 5.5729 5.5729 5.6001 5.6001 5.8673 5.8673 5.9617 5.9617 6.0462 6.0462 6.4268 6.4268 6.6201 6.6201 6.7128 6.7128 6.7764 6.7764 6.8916 6.8916 6.9939 6.9939 7.7147 7.7147 7.8879 7.8879 8.1052 8.1052 8.2200 8.2200 8.3676 8.3676 8.5309 8.5309 8.7070 8.7070 8.9459 8.9459 9.0540 9.0540 9.1864 9.1864 9.2184 9.2184 9.2729 9.2729 9.4850 9.4850 9.5004 9.5004 10.0154 10.0154 10.3155 10.3155 11.3022 11.3022 11.4581 11.4581 13.0028 13.0028 13.5721 13.5721 17.2061 17.2061 17.4488 17.4488 17.9409 17.9409 k = 0.3333 0.5774 0.6306 ( 3933 PWs) bands (ev): -14.4062 -14.4062 0.6704 0.6704 1.4679 1.4679 1.4915 1.4915 5.6052 5.6052 5.6249 5.6249 5.8330 5.8330 5.9347 5.9347 6.0461 6.0461 6.4273 6.4273 6.6159 6.6159 6.7228 6.7228 6.7783 6.7783 6.8828 6.8828 6.9942 6.9942 7.7142 7.7142 7.8903 7.8903 8.1242 8.1242 8.2196 8.2196 8.3675 8.3675 8.5361 8.5361 8.7101 8.7101 8.9499 8.9499 9.0414 9.0414 9.1920 9.1920 9.2254 9.2254 9.2674 9.2674 9.4862 9.4862 9.4872 9.4872 10.0157 10.0157 10.3358 10.3358 11.2734 11.2734 11.4231 11.4231 13.1176 13.1176 13.4554 13.4554 17.2296 17.2296 17.5026 17.5026 17.8890 17.8890 k = 0.3333 0.5774 0.6486 ( 3936 PWs) bands (ev): -14.4062 -14.4062 0.6703 0.6703 1.4677 1.4677 1.4917 1.4917 5.6186 5.6186 5.6343 5.6343 5.8189 5.8189 5.9246 5.9246 6.0461 6.0461 6.4274 6.4274 6.6145 6.6145 6.7265 6.7265 6.7789 6.7789 6.8795 6.8795 6.9943 6.9943 7.7141 7.7141 7.8911 7.8911 8.1311 8.1311 8.2190 8.2190 8.3674 8.3674 8.5378 8.5378 8.7111 8.7111 8.9522 8.9522 9.0362 9.0362 9.1934 9.1934 9.2278 9.2278 9.2664 9.2664 9.4812 9.4812 9.4880 9.4880 10.0157 10.0157 10.3429 10.3429 11.2637 11.2637 11.4111 11.4111 13.1813 13.1813 13.3910 13.3910 17.2377 17.2377 17.5242 17.5242 17.8680 17.8680 Writing output data file RbAu5.save init_run : 0.38s CPU 0.57s WALL ( 1 calls) electrons : 345.56s CPU 350.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 345.55s CPU 350.41s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 293 calls) cegterg : 327.45s CPU 331.64s WALL ( 678 calls) Called by sum_band: Called by *egterg: h_psi : 140.02s CPU 142.70s WALL ( 10999 calls) s_psi : 15.50s CPU 15.55s WALL ( 10999 calls) g_psi : 0.48s CPU 0.46s WALL ( 10028 calls) cdiaghg : 146.21s CPU 147.99s WALL ( 10321 calls) cegterg:over : 15.41s CPU 15.43s WALL ( 10028 calls) cegterg:upda : 12.87s CPU 12.89s WALL ( 10028 calls) cegterg:last : 6.24s CPU 6.26s WALL ( 1623 calls) cdiaghg:chol : 8.64s CPU 8.63s WALL ( 10321 calls) cdiaghg:inve : 6.08s CPU 6.33s WALL ( 10321 calls) cdiaghg:para : 11.08s CPU 11.19s WALL ( 20642 calls) Called by h_psi: h_psi:vloc : 107.18s CPU 109.23s WALL ( 10999 calls) h_psi:vnl : 32.32s CPU 32.94s WALL ( 10999 calls) add_vuspsi : 18.06s CPU 18.33s WALL ( 10999 calls) General routines calbec : 14.22s CPU 14.57s WALL ( 10999 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 96.38s CPU 98.16s WALL ( 1524992 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.35s WALL ( 586 calls) Parallel routines fft_scatter : 39.70s CPU 40.61s WALL ( 1525015 calls) PWSCF : 6m 5.44s CPU 6m23.16s WALL This run was terminated on: 13:36:21 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=