Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 23:35:20 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Ba.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 17 5 279 189 35 Max 24 18 6 282 201 38 Sum 1597 1261 409 20167 14105 2589 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 10.9574 a.u. unit-cell volume = 446.0825 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.957362 celldm(2)= 1.000000 celldm(3)= 0.391531 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 0.391531 ) 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 2.554074 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 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= 395 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 2) = ( 0.0156250 0.0090211 -0.0000000), wk = 0.0025316 k( 3) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0025316 k( 4) = ( 0.0468750 0.0270633 -0.0000000), wk = 0.0025316 k( 5) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0025316 k( 6) = ( 0.0781250 0.0451055 -0.0000000), wk = 0.0025316 k( 7) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0025316 k( 8) = ( 0.1093750 0.0631477 -0.0000000), wk = 0.0025316 k( 9) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0025316 k( 10) = ( 0.1406250 0.0811899 -0.0000000), wk = 0.0025316 k( 11) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0025316 k( 12) = ( 0.1718750 0.0992321 -0.0000000), wk = 0.0025316 k( 13) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0025316 k( 14) = ( 0.2031250 0.1172743 -0.0000000), wk = 0.0025316 k( 15) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0025316 k( 16) = ( 0.2343750 0.1353165 -0.0000000), wk = 0.0025316 k( 17) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0025316 k( 18) = ( 0.2656250 0.1533587 -0.0000000), wk = 0.0025316 k( 19) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0025316 k( 20) = ( 0.2968750 0.1714009 -0.0000000), wk = 0.0025316 k( 21) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0025316 k( 22) = ( 0.3281250 0.1894431 -0.0000000), wk = 0.0025316 k( 23) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0025316 k( 24) = ( 0.3593750 0.2074853 -0.0000000), wk = 0.0025316 k( 25) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0025316 k( 26) = ( 0.3906250 0.2255274 -0.0000000), wk = 0.0025316 k( 27) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0025316 k( 28) = ( 0.4218750 0.2435696 -0.0000000), wk = 0.0025316 k( 29) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0025316 k( 30) = ( 0.4531250 0.2616118 -0.0000000), wk = 0.0025316 k( 31) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0025316 k( 32) = ( 0.4843750 0.2796540 -0.0000000), wk = 0.0025316 k( 33) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025316 k( 34) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025316 k( 35) = ( 0.4912281 0.3038686 -0.0000000), wk = 0.0025316 k( 36) = ( 0.4824561 0.3190620 -0.0000000), wk = 0.0025316 k( 37) = ( 0.4736842 0.3342554 -0.0000000), wk = 0.0025316 k( 38) = ( 0.4649123 0.3494488 -0.0000000), wk = 0.0025316 k( 39) = ( 0.4561404 0.3646423 -0.0000000), wk = 0.0025316 k( 40) = ( 0.4473684 0.3798357 -0.0000000), wk = 0.0025316 k( 41) = ( 0.4385965 0.3950291 -0.0000000), wk = 0.0025316 k( 42) = ( 0.4298246 0.4102226 -0.0000000), wk = 0.0025316 k( 43) = ( 0.4210526 0.4254160 -0.0000000), wk = 0.0025316 k( 44) = ( 0.4122807 0.4406094 -0.0000000), wk = 0.0025316 k( 45) = ( 0.4035088 0.4558028 -0.0000000), wk = 0.0025316 k( 46) = ( 0.3947368 0.4709963 -0.0000000), wk = 0.0025316 k( 47) = ( 0.3859649 0.4861897 -0.0000000), wk = 0.0025316 k( 48) = ( 0.3771930 0.5013831 -0.0000000), wk = 0.0025316 k( 49) = ( 0.3684211 0.5165765 -0.0000000), wk = 0.0025316 k( 50) = ( 0.3596491 0.5317700 -0.0000000), wk = 0.0025316 k( 51) = ( 0.3508772 0.5469634 -0.0000000), wk = 0.0025316 k( 52) = ( 0.3421053 0.5621568 -0.0000000), wk = 0.0025316 k( 53) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025316 k( 54) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025316 k( 55) = ( 0.3243243 0.5617462 -0.0000000), wk = 0.0025316 k( 56) = ( 0.3153153 0.5461422 -0.0000000), wk = 0.0025316 k( 57) = ( 0.3063063 0.5305381 -0.0000000), wk = 0.0025316 k( 58) = ( 0.2972973 0.5149340 -0.0000000), wk = 0.0025316 k( 59) = ( 0.2882883 0.4993300 -0.0000000), wk = 0.0025316 k( 60) = ( 0.2792793 0.4837259 -0.0000000), wk = 0.0025316 k( 61) = ( 0.2702703 0.4681218 -0.0000000), wk = 0.0025316 k( 62) = ( 0.2612613 0.4525178 -0.0000000), wk = 0.0025316 k( 63) = ( 0.2522523 0.4369137 -0.0000000), wk = 0.0025316 k( 64) = ( 0.2432432 0.4213097 -0.0000000), wk = 0.0025316 k( 65) = ( 0.2342342 0.4057056 -0.0000000), wk = 0.0025316 k( 66) = ( 0.2252252 0.3901015 -0.0000000), wk = 0.0025316 k( 67) = ( 0.2162162 0.3744975 -0.0000000), wk = 0.0025316 k( 68) = ( 0.2072072 0.3588934 -0.0000000), wk = 0.0025316 k( 69) = ( 0.1981982 0.3432894 -0.0000000), wk = 0.0025316 k( 70) = ( 0.1891892 0.3276853 -0.0000000), wk = 0.0025316 k( 71) = ( 0.1801802 0.3120812 -0.0000000), wk = 0.0025316 k( 72) = ( 0.1711712 0.2964772 -0.0000000), wk = 0.0025316 k( 73) = ( 0.1621622 0.2808731 -0.0000000), wk = 0.0025316 k( 74) = ( 0.1531531 0.2652690 -0.0000000), wk = 0.0025316 k( 75) = ( 0.1441441 0.2496650 -0.0000000), wk = 0.0025316 k( 76) = ( 0.1351351 0.2340609 -0.0000000), wk = 0.0025316 k( 77) = ( 0.1261261 0.2184569 -0.0000000), wk = 0.0025316 k( 78) = ( 0.1171171 0.2028528 -0.0000000), wk = 0.0025316 k( 79) = ( 0.1081081 0.1872487 -0.0000000), wk = 0.0025316 k( 80) = ( 0.0990991 0.1716447 -0.0000000), wk = 0.0025316 k( 81) = ( 0.0900901 0.1560406 -0.0000000), wk = 0.0025316 k( 82) = ( 0.0810811 0.1404366 -0.0000000), wk = 0.0025316 k( 83) = ( 0.0720721 0.1248325 -0.0000000), wk = 0.0025316 k( 84) = ( 0.0630631 0.1092284 -0.0000000), wk = 0.0025316 k( 85) = ( 0.0540540 0.0936244 -0.0000000), wk = 0.0025316 k( 86) = ( 0.0450451 0.0780203 -0.0000000), wk = 0.0025316 k( 87) = ( 0.0360360 0.0624163 -0.0000000), wk = 0.0025316 k( 88) = ( 0.0270270 0.0468122 -0.0000000), wk = 0.0025316 k( 89) = ( 0.0180180 0.0312081 -0.0000000), wk = 0.0025316 k( 90) = ( 0.0090090 0.0156041 -0.0000000), wk = 0.0025316 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 93) = ( 0.0000000 0.0000000 0.0182434), wk = 0.0025316 k( 94) = ( 0.0000000 0.0000000 0.0364868), wk = 0.0025316 k( 95) = ( 0.0000000 0.0000000 0.0547302), wk = 0.0025316 k( 96) = ( 0.0000000 0.0000000 0.0729735), wk = 0.0025316 k( 97) = ( 0.0000000 0.0000000 0.0912169), wk = 0.0025316 k( 98) = ( 0.0000000 0.0000000 0.1094603), wk = 0.0025316 k( 99) = ( 0.0000000 0.0000000 0.1277037), wk = 0.0025316 k( 100) = ( 0.0000000 0.0000000 0.1459471), wk = 0.0025316 k( 101) = ( 0.0000000 0.0000000 0.1641905), wk = 0.0025316 k( 102) = ( 0.0000000 0.0000000 0.1824339), wk = 0.0025316 k( 103) = ( 0.0000000 0.0000000 0.2006772), wk = 0.0025316 k( 104) = ( 0.0000000 0.0000000 0.2189206), wk = 0.0025316 k( 105) = ( 0.0000000 0.0000000 0.2371640), wk = 0.0025316 k( 106) = ( 0.0000000 0.0000000 0.2554074), wk = 0.0025316 k( 107) = ( 0.0000000 0.0000000 0.2736508), wk = 0.0025316 k( 108) = ( 0.0000000 0.0000000 0.2918942), wk = 0.0025316 k( 109) = ( 0.0000000 0.0000000 0.3101376), wk = 0.0025316 k( 110) = ( 0.0000000 0.0000000 0.3283809), wk = 0.0025316 k( 111) = ( 0.0000000 0.0000000 0.3466243), wk = 0.0025316 k( 112) = ( 0.0000000 0.0000000 0.3648677), wk = 0.0025316 k( 113) = ( 0.0000000 0.0000000 0.3831111), wk = 0.0025316 k( 114) = ( 0.0000000 0.0000000 0.4013545), wk = 0.0025316 k( 115) = ( 0.0000000 0.0000000 0.4195979), wk = 0.0025316 k( 116) = ( 0.0000000 0.0000000 0.4378413), wk = 0.0025316 k( 117) = ( 0.0000000 0.0000000 0.4560846), wk = 0.0025316 k( 118) = ( 0.0000000 0.0000000 0.4743280), wk = 0.0025316 k( 119) = ( 0.0000000 0.0000000 0.4925714), wk = 0.0025316 k( 120) = ( 0.0000000 0.0000000 0.5108148), wk = 0.0025316 k( 121) = ( 0.0000000 0.0000000 0.5290582), wk = 0.0025316 k( 122) = ( 0.0000000 0.0000000 0.5473016), wk = 0.0025316 k( 123) = ( 0.0000000 0.0000000 0.5655450), wk = 0.0025316 k( 124) = ( 0.0000000 0.0000000 0.5837883), wk = 0.0025316 k( 125) = ( 0.0000000 0.0000000 0.6020317), wk = 0.0025316 k( 126) = ( 0.0000000 0.0000000 0.6202751), wk = 0.0025316 k( 127) = ( 0.0000000 0.0000000 0.6385185), wk = 0.0025316 k( 128) = ( 0.0000000 0.0000000 0.6567619), wk = 0.0025316 k( 129) = ( 0.0000000 0.0000000 0.6750053), wk = 0.0025316 k( 130) = ( 0.0000000 0.0000000 0.6932487), wk = 0.0025316 k( 131) = ( 0.0000000 0.0000000 0.7114920), wk = 0.0025316 k( 132) = ( 0.0000000 0.0000000 0.7297354), wk = 0.0025316 k( 133) = ( 0.0000000 0.0000000 0.7479788), wk = 0.0025316 k( 134) = ( 0.0000000 0.0000000 0.7662222), wk = 0.0025316 k( 135) = ( 0.0000000 0.0000000 0.7844656), wk = 0.0025316 k( 136) = ( 0.0000000 0.0000000 0.8027090), wk = 0.0025316 k( 137) = ( 0.0000000 0.0000000 0.8209524), wk = 0.0025316 k( 138) = ( 0.0000000 0.0000000 0.8391957), wk = 0.0025316 k( 139) = ( 0.0000000 0.0000000 0.8574391), wk = 0.0025316 k( 140) = ( 0.0000000 0.0000000 0.8756825), wk = 0.0025316 k( 141) = ( 0.0000000 0.0000000 0.8939259), wk = 0.0025316 k( 142) = ( 0.0000000 0.0000000 0.9121693), wk = 0.0025316 k( 143) = ( 0.0000000 0.0000000 0.9304127), wk = 0.0025316 k( 144) = ( 0.0000000 0.0000000 0.9486561), wk = 0.0025316 k( 145) = ( 0.0000000 0.0000000 0.9668994), wk = 0.0025316 k( 146) = ( 0.0000000 0.0000000 0.9851428), wk = 0.0025316 k( 147) = ( 0.0000000 0.0000000 1.0033862), wk = 0.0025316 k( 148) = ( 0.0000000 0.0000000 1.0216296), wk = 0.0025316 k( 149) = ( 0.0000000 0.0000000 1.0398730), wk = 0.0025316 k( 150) = ( 0.0000000 0.0000000 1.0581164), wk = 0.0025316 k( 151) = ( 0.0000000 0.0000000 1.0763598), wk = 0.0025316 k( 152) = ( 0.0000000 0.0000000 1.0946031), wk = 0.0025316 k( 153) = ( 0.0000000 0.0000000 1.1128465), wk = 0.0025316 k( 154) = ( 0.0000000 0.0000000 1.1310899), wk = 0.0025316 k( 155) = ( 0.0000000 0.0000000 1.1493333), wk = 0.0025316 k( 156) = ( 0.0000000 0.0000000 1.1675767), wk = 0.0025316 k( 157) = ( 0.0000000 0.0000000 1.1858201), wk = 0.0025316 k( 158) = ( 0.0000000 0.0000000 1.2040635), wk = 0.0025316 k( 159) = ( 0.0000000 0.0000000 1.2223068), wk = 0.0025316 k( 160) = ( 0.0000000 0.0000000 1.2405502), wk = 0.0025316 k( 161) = ( 0.0000000 0.0000000 1.2587936), wk = 0.0025316 k( 162) = ( 0.0000000 0.0000000 1.2770370), wk = 0.0025316 k( 163) = ( 0.0000000 0.0000000 1.2770370), wk = 0.0025316 k( 164) = ( 0.0156250 0.0090211 1.2770370), wk = 0.0025316 k( 165) = ( 0.0312500 0.0180422 1.2770370), wk = 0.0025316 k( 166) = ( 0.0468750 0.0270633 1.2770370), wk = 0.0025316 k( 167) = ( 0.0625000 0.0360844 1.2770370), wk = 0.0025316 k( 168) = ( 0.0781250 0.0451055 1.2770370), wk = 0.0025316 k( 169) = ( 0.0937500 0.0541266 1.2770370), wk = 0.0025316 k( 170) = ( 0.1093750 0.0631477 1.2770370), wk = 0.0025316 k( 171) = ( 0.1250000 0.0721688 1.2770370), wk = 0.0025316 k( 172) = ( 0.1406250 0.0811899 1.2770370), wk = 0.0025316 k( 173) = ( 0.1562500 0.0902110 1.2770370), wk = 0.0025316 k( 174) = ( 0.1718750 0.0992321 1.2770370), wk = 0.0025316 k( 175) = ( 0.1875000 0.1082532 1.2770370), wk = 0.0025316 k( 176) = ( 0.2031250 0.1172743 1.2770370), wk = 0.0025316 k( 177) = ( 0.2187500 0.1262954 1.2770370), wk = 0.0025316 k( 178) = ( 0.2343750 0.1353165 1.2770370), wk = 0.0025316 k( 179) = ( 0.2500000 0.1443376 1.2770370), wk = 0.0025316 k( 180) = ( 0.2656250 0.1533587 1.2770370), wk = 0.0025316 k( 181) = ( 0.2812500 0.1623798 1.2770370), wk = 0.0025316 k( 182) = ( 0.2968750 0.1714009 1.2770370), wk = 0.0025316 k( 183) = ( 0.3125000 0.1804220 1.2770370), wk = 0.0025316 k( 184) = ( 0.3281250 0.1894431 1.2770370), wk = 0.0025316 k( 185) = ( 0.3437500 0.1984642 1.2770370), wk = 0.0025316 k( 186) = ( 0.3593750 0.2074853 1.2770370), wk = 0.0025316 k( 187) = ( 0.3750000 0.2165064 1.2770370), wk = 0.0025316 k( 188) = ( 0.3906250 0.2255274 1.2770370), wk = 0.0025316 k( 189) = ( 0.4062500 0.2345485 1.2770370), wk = 0.0025316 k( 190) = ( 0.4218750 0.2435696 1.2770370), wk = 0.0025316 k( 191) = ( 0.4375000 0.2525907 1.2770370), wk = 0.0025316 k( 192) = ( 0.4531250 0.2616118 1.2770370), wk = 0.0025316 k( 193) = ( 0.4687500 0.2706329 1.2770370), wk = 0.0025316 k( 194) = ( 0.4843750 0.2796540 1.2770370), wk = 0.0025316 k( 195) = ( 0.5000000 0.2886751 1.2770370), wk = 0.0025316 k( 196) = ( 0.5000000 0.2886751 1.2770370), wk = 0.0025316 k( 197) = ( 0.4912281 0.3038686 1.2770370), wk = 0.0025316 k( 198) = ( 0.4824561 0.3190620 1.2770370), wk = 0.0025316 k( 199) = ( 0.4736842 0.3342554 1.2770370), wk = 0.0025316 k( 200) = ( 0.4649123 0.3494488 1.2770370), wk = 0.0025316 k( 201) = ( 0.4561404 0.3646423 1.2770370), wk = 0.0025316 k( 202) = ( 0.4473684 0.3798357 1.2770370), wk = 0.0025316 k( 203) = ( 0.4385965 0.3950291 1.2770370), wk = 0.0025316 k( 204) = ( 0.4298246 0.4102226 1.2770370), wk = 0.0025316 k( 205) = ( 0.4210526 0.4254160 1.2770370), wk = 0.0025316 k( 206) = ( 0.4122807 0.4406094 1.2770370), wk = 0.0025316 k( 207) = ( 0.4035088 0.4558028 1.2770370), wk = 0.0025316 k( 208) = ( 0.3947368 0.4709963 1.2770370), wk = 0.0025316 k( 209) = ( 0.3859649 0.4861897 1.2770370), wk = 0.0025316 k( 210) = ( 0.3771930 0.5013831 1.2770370), wk = 0.0025316 k( 211) = ( 0.3684211 0.5165765 1.2770370), wk = 0.0025316 k( 212) = ( 0.3596491 0.5317700 1.2770370), wk = 0.0025316 k( 213) = ( 0.3508772 0.5469634 1.2770370), wk = 0.0025316 k( 214) = ( 0.3421053 0.5621568 1.2770370), wk = 0.0025316 k( 215) = ( 0.3333333 0.5773503 1.2770370), wk = 0.0025316 k( 216) = ( 0.3333333 0.5773503 1.2770370), wk = 0.0025316 k( 217) = ( 0.3243243 0.5617462 1.2770370), wk = 0.0025316 k( 218) = ( 0.3153153 0.5461422 1.2770370), wk = 0.0025316 k( 219) = ( 0.3063063 0.5305381 1.2770370), wk = 0.0025316 k( 220) = ( 0.2972973 0.5149340 1.2770370), wk = 0.0025316 k( 221) = ( 0.2882883 0.4993300 1.2770370), wk = 0.0025316 k( 222) = ( 0.2792793 0.4837259 1.2770370), wk = 0.0025316 k( 223) = ( 0.2702703 0.4681218 1.2770370), wk = 0.0025316 k( 224) = ( 0.2612613 0.4525178 1.2770370), wk = 0.0025316 k( 225) = ( 0.2522523 0.4369137 1.2770370), wk = 0.0025316 k( 226) = ( 0.2432432 0.4213097 1.2770370), wk = 0.0025316 k( 227) = ( 0.2342342 0.4057056 1.2770370), wk = 0.0025316 k( 228) = ( 0.2252252 0.3901015 1.2770370), wk = 0.0025316 k( 229) = ( 0.2162162 0.3744975 1.2770370), wk = 0.0025316 k( 230) = ( 0.2072072 0.3588934 1.2770370), wk = 0.0025316 k( 231) = ( 0.1981982 0.3432894 1.2770370), wk = 0.0025316 k( 232) = ( 0.1891892 0.3276853 1.2770370), wk = 0.0025316 k( 233) = ( 0.1801802 0.3120812 1.2770370), wk = 0.0025316 k( 234) = ( 0.1711712 0.2964772 1.2770370), wk = 0.0025316 k( 235) = ( 0.1621622 0.2808731 1.2770370), wk = 0.0025316 k( 236) = ( 0.1531531 0.2652690 1.2770370), wk = 0.0025316 k( 237) = ( 0.1441441 0.2496650 1.2770370), wk = 0.0025316 k( 238) = ( 0.1351351 0.2340609 1.2770370), wk = 0.0025316 k( 239) = ( 0.1261261 0.2184569 1.2770370), wk = 0.0025316 k( 240) = ( 0.1171171 0.2028528 1.2770370), wk = 0.0025316 k( 241) = ( 0.1081081 0.1872487 1.2770370), wk = 0.0025316 k( 242) = ( 0.0990991 0.1716447 1.2770370), wk = 0.0025316 k( 243) = ( 0.0900901 0.1560406 1.2770370), wk = 0.0025316 k( 244) = ( 0.0810811 0.1404366 1.2770370), wk = 0.0025316 k( 245) = ( 0.0720721 0.1248325 1.2770370), wk = 0.0025316 k( 246) = ( 0.0630631 0.1092284 1.2770370), wk = 0.0025316 k( 247) = ( 0.0540540 0.0936244 1.2770370), wk = 0.0025316 k( 248) = ( 0.0450451 0.0780203 1.2770370), wk = 0.0025316 k( 249) = ( 0.0360360 0.0624163 1.2770370), wk = 0.0025316 k( 250) = ( 0.0270270 0.0468122 1.2770370), wk = 0.0025316 k( 251) = ( 0.0180180 0.0312081 1.2770370), wk = 0.0025316 k( 252) = ( 0.0090090 0.0156041 1.2770370), wk = 0.0025316 k( 253) = ( 0.0000000 0.0000000 1.2770370), wk = 0.0025316 k( 254) = ( 0.5000000 0.2886751 1.2770370), wk = 0.0025316 k( 255) = ( 0.5000000 0.2886751 1.2587936), wk = 0.0025316 k( 256) = ( 0.5000000 0.2886751 1.2405502), wk = 0.0025316 k( 257) = ( 0.5000000 0.2886751 1.2223068), wk = 0.0025316 k( 258) = ( 0.5000000 0.2886751 1.2040635), wk = 0.0025316 k( 259) = ( 0.5000000 0.2886751 1.1858201), wk = 0.0025316 k( 260) = ( 0.5000000 0.2886751 1.1675767), wk = 0.0025316 k( 261) = ( 0.5000000 0.2886751 1.1493333), wk = 0.0025316 k( 262) = ( 0.5000000 0.2886751 1.1310899), wk = 0.0025316 k( 263) = ( 0.5000000 0.2886751 1.1128465), wk = 0.0025316 k( 264) = ( 0.5000000 0.2886751 1.0946031), wk = 0.0025316 k( 265) = ( 0.5000000 0.2886751 1.0763598), wk = 0.0025316 k( 266) = ( 0.5000000 0.2886751 1.0581164), wk = 0.0025316 k( 267) = ( 0.5000000 0.2886751 1.0398730), wk = 0.0025316 k( 268) = ( 0.5000000 0.2886751 1.0216296), wk = 0.0025316 k( 269) = ( 0.5000000 0.2886751 1.0033862), wk = 0.0025316 k( 270) = ( 0.5000000 0.2886751 0.9851428), wk = 0.0025316 k( 271) = ( 0.5000000 0.2886751 0.9668994), wk = 0.0025316 k( 272) = ( 0.5000000 0.2886751 0.9486561), wk = 0.0025316 k( 273) = ( 0.5000000 0.2886751 0.9304127), wk = 0.0025316 k( 274) = ( 0.5000000 0.2886751 0.9121693), wk = 0.0025316 k( 275) = ( 0.5000000 0.2886751 0.8939259), wk = 0.0025316 k( 276) = ( 0.5000000 0.2886751 0.8756825), wk = 0.0025316 k( 277) = ( 0.5000000 0.2886751 0.8574391), wk = 0.0025316 k( 278) = ( 0.5000000 0.2886751 0.8391957), wk = 0.0025316 k( 279) = ( 0.5000000 0.2886751 0.8209524), wk = 0.0025316 k( 280) = ( 0.5000000 0.2886751 0.8027090), wk = 0.0025316 k( 281) = ( 0.5000000 0.2886751 0.7844656), wk = 0.0025316 k( 282) = ( 0.5000000 0.2886751 0.7662222), wk = 0.0025316 k( 283) = ( 0.5000000 0.2886751 0.7479788), wk = 0.0025316 k( 284) = ( 0.5000000 0.2886751 0.7297354), wk = 0.0025316 k( 285) = ( 0.5000000 0.2886751 0.7114920), wk = 0.0025316 k( 286) = ( 0.5000000 0.2886751 0.6932487), wk = 0.0025316 k( 287) = ( 0.5000000 0.2886751 0.6750053), wk = 0.0025316 k( 288) = ( 0.5000000 0.2886751 0.6567619), wk = 0.0025316 k( 289) = ( 0.5000000 0.2886751 0.6385185), wk = 0.0025316 k( 290) = ( 0.5000000 0.2886751 0.6202751), wk = 0.0025316 k( 291) = ( 0.5000000 0.2886751 0.6020317), wk = 0.0025316 k( 292) = ( 0.5000000 0.2886751 0.5837883), wk = 0.0025316 k( 293) = ( 0.5000000 0.2886751 0.5655450), wk = 0.0025316 k( 294) = ( 0.5000000 0.2886751 0.5473016), wk = 0.0025316 k( 295) = ( 0.5000000 0.2886751 0.5290582), wk = 0.0025316 k( 296) = ( 0.5000000 0.2886751 0.5108148), wk = 0.0025316 k( 297) = ( 0.5000000 0.2886751 0.4925714), wk = 0.0025316 k( 298) = ( 0.5000000 0.2886751 0.4743280), wk = 0.0025316 k( 299) = ( 0.5000000 0.2886751 0.4560846), wk = 0.0025316 k( 300) = ( 0.5000000 0.2886751 0.4378413), wk = 0.0025316 k( 301) = ( 0.5000000 0.2886751 0.4195979), wk = 0.0025316 k( 302) = ( 0.5000000 0.2886751 0.4013545), wk = 0.0025316 k( 303) = ( 0.5000000 0.2886751 0.3831111), wk = 0.0025316 k( 304) = ( 0.5000000 0.2886751 0.3648677), wk = 0.0025316 k( 305) = ( 0.5000000 0.2886751 0.3466243), wk = 0.0025316 k( 306) = ( 0.5000000 0.2886751 0.3283809), wk = 0.0025316 k( 307) = ( 0.5000000 0.2886751 0.3101376), wk = 0.0025316 k( 308) = ( 0.5000000 0.2886751 0.2918942), wk = 0.0025316 k( 309) = ( 0.5000000 0.2886751 0.2736508), wk = 0.0025316 k( 310) = ( 0.5000000 0.2886751 0.2554074), wk = 0.0025316 k( 311) = ( 0.5000000 0.2886751 0.2371640), wk = 0.0025316 k( 312) = ( 0.5000000 0.2886751 0.2189206), wk = 0.0025316 k( 313) = ( 0.5000000 0.2886751 0.2006772), wk = 0.0025316 k( 314) = ( 0.5000000 0.2886751 0.1824339), wk = 0.0025316 k( 315) = ( 0.5000000 0.2886751 0.1641905), wk = 0.0025316 k( 316) = ( 0.5000000 0.2886751 0.1459471), wk = 0.0025316 k( 317) = ( 0.5000000 0.2886751 0.1277037), wk = 0.0025316 k( 318) = ( 0.5000000 0.2886751 0.1094603), wk = 0.0025316 k( 319) = ( 0.5000000 0.2886751 0.0912169), wk = 0.0025316 k( 320) = ( 0.5000000 0.2886751 0.0729735), wk = 0.0025316 k( 321) = ( 0.5000000 0.2886751 0.0547302), wk = 0.0025316 k( 322) = ( 0.5000000 0.2886751 0.0364868), wk = 0.0025316 k( 323) = ( 0.5000000 0.2886751 0.0182434), wk = 0.0025316 k( 324) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025316 k( 325) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025316 k( 326) = ( 0.3333333 0.5773503 0.0182434), wk = 0.0025316 k( 327) = ( 0.3333333 0.5773503 0.0364868), wk = 0.0025316 k( 328) = ( 0.3333333 0.5773503 0.0547302), wk = 0.0025316 k( 329) = ( 0.3333333 0.5773503 0.0729735), wk = 0.0025316 k( 330) = ( 0.3333333 0.5773503 0.0912169), wk = 0.0025316 k( 331) = ( 0.3333333 0.5773503 0.1094603), wk = 0.0025316 k( 332) = ( 0.3333333 0.5773503 0.1277037), wk = 0.0025316 k( 333) = ( 0.3333333 0.5773503 0.1459471), wk = 0.0025316 k( 334) = ( 0.3333333 0.5773503 0.1641905), wk = 0.0025316 k( 335) = ( 0.3333333 0.5773503 0.1824339), wk = 0.0025316 k( 336) = ( 0.3333333 0.5773503 0.2006772), wk = 0.0025316 k( 337) = ( 0.3333333 0.5773503 0.2189206), wk = 0.0025316 k( 338) = ( 0.3333333 0.5773503 0.2371640), wk = 0.0025316 k( 339) = ( 0.3333333 0.5773503 0.2554074), wk = 0.0025316 k( 340) = ( 0.3333333 0.5773503 0.2736508), wk = 0.0025316 k( 341) = ( 0.3333333 0.5773503 0.2918942), wk = 0.0025316 k( 342) = ( 0.3333333 0.5773503 0.3101376), wk = 0.0025316 k( 343) = ( 0.3333333 0.5773503 0.3283809), wk = 0.0025316 k( 344) = ( 0.3333333 0.5773503 0.3466243), wk = 0.0025316 k( 345) = ( 0.3333333 0.5773503 0.3648677), wk = 0.0025316 k( 346) = ( 0.3333333 0.5773503 0.3831111), wk = 0.0025316 k( 347) = ( 0.3333333 0.5773503 0.4013545), wk = 0.0025316 k( 348) = ( 0.3333333 0.5773503 0.4195979), wk = 0.0025316 k( 349) = ( 0.3333333 0.5773503 0.4378413), wk = 0.0025316 k( 350) = ( 0.3333333 0.5773503 0.4560846), wk = 0.0025316 k( 351) = ( 0.3333333 0.5773503 0.4743280), wk = 0.0025316 k( 352) = ( 0.3333333 0.5773503 0.4925714), wk = 0.0025316 k( 353) = ( 0.3333333 0.5773503 0.5108148), wk = 0.0025316 k( 354) = ( 0.3333333 0.5773503 0.5290582), wk = 0.0025316 k( 355) = ( 0.3333333 0.5773503 0.5473016), wk = 0.0025316 k( 356) = ( 0.3333333 0.5773503 0.5655450), wk = 0.0025316 k( 357) = ( 0.3333333 0.5773503 0.5837883), wk = 0.0025316 k( 358) = ( 0.3333333 0.5773503 0.6020317), wk = 0.0025316 k( 359) = ( 0.3333333 0.5773503 0.6202751), wk = 0.0025316 k( 360) = ( 0.3333333 0.5773503 0.6385185), wk = 0.0025316 k( 361) = ( 0.3333333 0.5773503 0.6567619), wk = 0.0025316 k( 362) = ( 0.3333333 0.5773503 0.6750053), wk = 0.0025316 k( 363) = ( 0.3333333 0.5773503 0.6932487), wk = 0.0025316 k( 364) = ( 0.3333333 0.5773503 0.7114920), wk = 0.0025316 k( 365) = ( 0.3333333 0.5773503 0.7297354), wk = 0.0025316 k( 366) = ( 0.3333333 0.5773503 0.7479788), wk = 0.0025316 k( 367) = ( 0.3333333 0.5773503 0.7662222), wk = 0.0025316 k( 368) = ( 0.3333333 0.5773503 0.7844656), wk = 0.0025316 k( 369) = ( 0.3333333 0.5773503 0.8027090), wk = 0.0025316 k( 370) = ( 0.3333333 0.5773503 0.8209524), wk = 0.0025316 k( 371) = ( 0.3333333 0.5773503 0.8391957), wk = 0.0025316 k( 372) = ( 0.3333333 0.5773503 0.8574391), wk = 0.0025316 k( 373) = ( 0.3333333 0.5773503 0.8756825), wk = 0.0025316 k( 374) = ( 0.3333333 0.5773503 0.8939259), wk = 0.0025316 k( 375) = ( 0.3333333 0.5773503 0.9121693), wk = 0.0025316 k( 376) = ( 0.3333333 0.5773503 0.9304127), wk = 0.0025316 k( 377) = ( 0.3333333 0.5773503 0.9486561), wk = 0.0025316 k( 378) = ( 0.3333333 0.5773503 0.9668994), wk = 0.0025316 k( 379) = ( 0.3333333 0.5773503 0.9851428), wk = 0.0025316 k( 380) = ( 0.3333333 0.5773503 1.0033862), wk = 0.0025316 k( 381) = ( 0.3333333 0.5773503 1.0216296), wk = 0.0025316 k( 382) = ( 0.3333333 0.5773503 1.0398730), wk = 0.0025316 k( 383) = ( 0.3333333 0.5773503 1.0581164), wk = 0.0025316 k( 384) = ( 0.3333333 0.5773503 1.0763598), wk = 0.0025316 k( 385) = ( 0.3333333 0.5773503 1.0946031), wk = 0.0025316 k( 386) = ( 0.3333333 0.5773503 1.1128465), wk = 0.0025316 k( 387) = ( 0.3333333 0.5773503 1.1310899), wk = 0.0025316 k( 388) = ( 0.3333333 0.5773503 1.1493333), wk = 0.0025316 k( 389) = ( 0.3333333 0.5773503 1.1675767), wk = 0.0025316 k( 390) = ( 0.3333333 0.5773503 1.1858201), wk = 0.0025316 k( 391) = ( 0.3333333 0.5773503 1.2040635), wk = 0.0025316 k( 392) = ( 0.3333333 0.5773503 1.2223068), wk = 0.0025316 k( 393) = ( 0.3333333 0.5773503 1.2405502), wk = 0.0025316 k( 394) = ( 0.3333333 0.5773503 1.2587936), wk = 0.0025316 k( 395) = ( 0.3333333 0.5773503 1.2770370), wk = 0.0025316 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 2) = ( 0.0156250 -0.0000000 0.0000000), wk = 0.0025316 k( 3) = ( 0.0312500 -0.0000000 0.0000000), wk = 0.0025316 k( 4) = ( 0.0468750 -0.0000000 0.0000000), wk = 0.0025316 k( 5) = ( 0.0625000 -0.0000000 0.0000000), wk = 0.0025316 k( 6) = ( 0.0781250 -0.0000000 0.0000000), wk = 0.0025316 k( 7) = ( 0.0937500 -0.0000000 0.0000000), wk = 0.0025316 k( 8) = ( 0.1093750 -0.0000000 -0.0000000), wk = 0.0025316 k( 9) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0025316 k( 10) = ( 0.1406250 -0.0000000 0.0000000), wk = 0.0025316 k( 11) = ( 0.1562500 -0.0000000 0.0000000), wk = 0.0025316 k( 12) = ( 0.1718750 -0.0000000 0.0000000), wk = 0.0025316 k( 13) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0025316 k( 14) = ( 0.2031250 -0.0000000 -0.0000000), wk = 0.0025316 k( 15) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0025316 k( 16) = ( 0.2343750 -0.0000000 0.0000000), wk = 0.0025316 k( 17) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0025316 k( 18) = ( 0.2656250 -0.0000000 0.0000000), wk = 0.0025316 k( 19) = ( 0.2812500 -0.0000000 0.0000000), wk = 0.0025316 k( 20) = ( 0.2968750 -0.0000000 0.0000000), wk = 0.0025316 k( 21) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0025316 k( 22) = ( 0.3281250 -0.0000000 0.0000000), wk = 0.0025316 k( 23) = ( 0.3437500 -0.0000000 0.0000000), wk = 0.0025316 k( 24) = ( 0.3593750 -0.0000000 -0.0000000), wk = 0.0025316 k( 25) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0025316 k( 26) = ( 0.3906250 -0.0000000 0.0000000), wk = 0.0025316 k( 27) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0025316 k( 28) = ( 0.4218750 -0.0000000 0.0000000), wk = 0.0025316 k( 29) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0025316 k( 30) = ( 0.4531250 -0.0000000 -0.0000000), wk = 0.0025316 k( 31) = ( 0.4687500 -0.0000000 0.0000000), wk = 0.0025316 k( 32) = ( 0.4843750 -0.0000000 0.0000000), wk = 0.0025316 k( 33) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0025316 k( 34) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0025316 k( 35) = ( 0.4912281 0.0175439 -0.0000000), wk = 0.0025316 k( 36) = ( 0.4824561 0.0350877 -0.0000000), wk = 0.0025316 k( 37) = ( 0.4736842 0.0526316 0.0000000), wk = 0.0025316 k( 38) = ( 0.4649123 0.0701754 -0.0000000), wk = 0.0025316 k( 39) = ( 0.4561404 0.0877193 0.0000000), wk = 0.0025316 k( 40) = ( 0.4473684 0.1052632 0.0000000), wk = 0.0025316 k( 41) = ( 0.4385965 0.1228070 -0.0000000), wk = 0.0025316 k( 42) = ( 0.4298246 0.1403509 0.0000000), wk = 0.0025316 k( 43) = ( 0.4210526 0.1578947 0.0000000), wk = 0.0025316 k( 44) = ( 0.4122807 0.1754386 0.0000000), wk = 0.0025316 k( 45) = ( 0.4035088 0.1929825 0.0000000), wk = 0.0025316 k( 46) = ( 0.3947368 0.2105263 0.0000000), wk = 0.0025316 k( 47) = ( 0.3859649 0.2280702 0.0000000), wk = 0.0025316 k( 48) = ( 0.3771930 0.2456140 -0.0000000), wk = 0.0025316 k( 49) = ( 0.3684211 0.2631579 0.0000000), wk = 0.0025316 k( 50) = ( 0.3596491 0.2807017 -0.0000000), wk = 0.0025316 k( 51) = ( 0.3508772 0.2982456 -0.0000000), wk = 0.0025316 k( 52) = ( 0.3421053 0.3157895 0.0000000), wk = 0.0025316 k( 53) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025316 k( 54) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025316 k( 55) = ( 0.3243243 0.3243243 0.0000000), wk = 0.0025316 k( 56) = ( 0.3153153 0.3153153 0.0000000), wk = 0.0025316 k( 57) = ( 0.3063063 0.3063063 0.0000000), wk = 0.0025316 k( 58) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0025316 k( 59) = ( 0.2882883 0.2882883 -0.0000000), wk = 0.0025316 k( 60) = ( 0.2792793 0.2792793 0.0000000), wk = 0.0025316 k( 61) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0025316 k( 62) = ( 0.2612613 0.2612613 0.0000000), wk = 0.0025316 k( 63) = ( 0.2522523 0.2522522 0.0000000), wk = 0.0025316 k( 64) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0025316 k( 65) = ( 0.2342342 0.2342342 0.0000000), wk = 0.0025316 k( 66) = ( 0.2252252 0.2252252 0.0000000), wk = 0.0025316 k( 67) = ( 0.2162162 0.2162162 0.0000000), wk = 0.0025316 k( 68) = ( 0.2072072 0.2072072 0.0000000), wk = 0.0025316 k( 69) = ( 0.1981982 0.1981982 0.0000000), wk = 0.0025316 k( 70) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0025316 k( 71) = ( 0.1801802 0.1801802 0.0000000), wk = 0.0025316 k( 72) = ( 0.1711712 0.1711712 0.0000000), wk = 0.0025316 k( 73) = ( 0.1621622 0.1621622 0.0000000), wk = 0.0025316 k( 74) = ( 0.1531531 0.1531531 -0.0000000), wk = 0.0025316 k( 75) = ( 0.1441441 0.1441441 0.0000000), wk = 0.0025316 k( 76) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0025316 k( 77) = ( 0.1261261 0.1261261 -0.0000000), wk = 0.0025316 k( 78) = ( 0.1171171 0.1171171 -0.0000000), wk = 0.0025316 k( 79) = ( 0.1081081 0.1081081 0.0000000), wk = 0.0025316 k( 80) = ( 0.0990991 0.0990991 0.0000000), wk = 0.0025316 k( 81) = ( 0.0900901 0.0900901 0.0000000), wk = 0.0025316 k( 82) = ( 0.0810811 0.0810811 0.0000000), wk = 0.0025316 k( 83) = ( 0.0720721 0.0720721 0.0000000), wk = 0.0025316 k( 84) = ( 0.0630631 0.0630631 0.0000000), wk = 0.0025316 k( 85) = ( 0.0540540 0.0540540 0.0000000), wk = 0.0025316 k( 86) = ( 0.0450451 0.0450450 0.0000000), wk = 0.0025316 k( 87) = ( 0.0360360 0.0360360 0.0000000), wk = 0.0025316 k( 88) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0025316 k( 89) = ( 0.0180180 0.0180180 0.0000000), wk = 0.0025316 k( 90) = ( 0.0090090 0.0090090 0.0000000), wk = 0.0025316 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 93) = ( 0.0000000 0.0000000 0.0071429), wk = 0.0025316 k( 94) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0025316 k( 95) = ( 0.0000000 0.0000000 0.0214286), wk = 0.0025316 k( 96) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0025316 k( 97) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0025316 k( 98) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0025316 k( 99) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0025316 k( 100) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0025316 k( 101) = ( 0.0000000 0.0000000 0.0642857), wk = 0.0025316 k( 102) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0025316 k( 103) = ( 0.0000000 0.0000000 0.0785714), wk = 0.0025316 k( 104) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0025316 k( 105) = ( 0.0000000 0.0000000 0.0928571), wk = 0.0025316 k( 106) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025316 k( 107) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0025316 k( 108) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0025316 k( 109) = ( 0.0000000 0.0000000 0.1214286), wk = 0.0025316 k( 110) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0025316 k( 111) = ( 0.0000000 0.0000000 0.1357143), wk = 0.0025316 k( 112) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0025316 k( 113) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0025316 k( 114) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0025316 k( 115) = ( 0.0000000 0.0000000 0.1642857), wk = 0.0025316 k( 116) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0025316 k( 117) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0025316 k( 118) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0025316 k( 119) = ( 0.0000000 0.0000000 0.1928571), wk = 0.0025316 k( 120) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025316 k( 121) = ( 0.0000000 0.0000000 0.2071429), wk = 0.0025316 k( 122) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0025316 k( 123) = ( 0.0000000 0.0000000 0.2214286), wk = 0.0025316 k( 124) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0025316 k( 125) = ( 0.0000000 0.0000000 0.2357143), wk = 0.0025316 k( 126) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0025316 k( 127) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025316 k( 128) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0025316 k( 129) = ( 0.0000000 0.0000000 0.2642857), wk = 0.0025316 k( 130) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0025316 k( 131) = ( 0.0000000 0.0000000 0.2785714), wk = 0.0025316 k( 132) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0025316 k( 133) = ( 0.0000000 0.0000000 0.2928571), wk = 0.0025316 k( 134) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025316 k( 135) = ( 0.0000000 0.0000000 0.3071429), wk = 0.0025316 k( 136) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0025316 k( 137) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0025316 k( 138) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0025316 k( 139) = ( 0.0000000 0.0000000 0.3357143), wk = 0.0025316 k( 140) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0025316 k( 141) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0025316 k( 142) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0025316 k( 143) = ( 0.0000000 0.0000000 0.3642857), wk = 0.0025316 k( 144) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0025316 k( 145) = ( 0.0000000 0.0000000 0.3785714), wk = 0.0025316 k( 146) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0025316 k( 147) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0025316 k( 148) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025316 k( 149) = ( 0.0000000 0.0000000 0.4071429), wk = 0.0025316 k( 150) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0025316 k( 151) = ( 0.0000000 0.0000000 0.4214286), wk = 0.0025316 k( 152) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0025316 k( 153) = ( 0.0000000 0.0000000 0.4357143), wk = 0.0025316 k( 154) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0025316 k( 155) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0025316 k( 156) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0025316 k( 157) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0025316 k( 158) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0025316 k( 159) = ( 0.0000000 0.0000000 0.4785714), wk = 0.0025316 k( 160) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0025316 k( 161) = ( 0.0000000 0.0000000 0.4928571), wk = 0.0025316 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 164) = ( 0.0156250 -0.0000000 0.5000000), wk = 0.0025316 k( 165) = ( 0.0312500 -0.0000000 0.5000000), wk = 0.0025316 k( 166) = ( 0.0468750 -0.0000000 0.5000000), wk = 0.0025316 k( 167) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0025316 k( 168) = ( 0.0781250 -0.0000000 0.5000000), wk = 0.0025316 k( 169) = ( 0.0937500 -0.0000000 0.5000000), wk = 0.0025316 k( 170) = ( 0.1093750 -0.0000000 0.5000000), wk = 0.0025316 k( 171) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0025316 k( 172) = ( 0.1406250 -0.0000000 0.5000000), wk = 0.0025316 k( 173) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0025316 k( 174) = ( 0.1718750 -0.0000000 0.5000000), wk = 0.0025316 k( 175) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0025316 k( 176) = ( 0.2031250 -0.0000000 0.5000000), wk = 0.0025316 k( 177) = ( 0.2187500 -0.0000000 0.5000000), wk = 0.0025316 k( 178) = ( 0.2343750 -0.0000000 0.5000000), wk = 0.0025316 k( 179) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0025316 k( 180) = ( 0.2656250 -0.0000000 0.5000000), wk = 0.0025316 k( 181) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0025316 k( 182) = ( 0.2968750 -0.0000000 0.5000000), wk = 0.0025316 k( 183) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0025316 k( 184) = ( 0.3281250 -0.0000000 0.5000000), wk = 0.0025316 k( 185) = ( 0.3437500 -0.0000000 0.5000000), wk = 0.0025316 k( 186) = ( 0.3593750 -0.0000000 0.5000000), wk = 0.0025316 k( 187) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0025316 k( 188) = ( 0.3906250 -0.0000000 0.5000000), wk = 0.0025316 k( 189) = ( 0.4062500 -0.0000000 0.5000000), wk = 0.0025316 k( 190) = ( 0.4218750 -0.0000000 0.5000000), wk = 0.0025316 k( 191) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0025316 k( 192) = ( 0.4531250 -0.0000000 0.5000000), wk = 0.0025316 k( 193) = ( 0.4687500 -0.0000000 0.5000000), wk = 0.0025316 k( 194) = ( 0.4843750 -0.0000000 0.5000000), wk = 0.0025316 k( 195) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0025316 k( 196) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0025316 k( 197) = ( 0.4912281 0.0175439 0.5000000), wk = 0.0025316 k( 198) = ( 0.4824561 0.0350877 0.5000000), wk = 0.0025316 k( 199) = ( 0.4736842 0.0526316 0.5000000), wk = 0.0025316 k( 200) = ( 0.4649123 0.0701754 0.5000000), wk = 0.0025316 k( 201) = ( 0.4561404 0.0877193 0.5000000), wk = 0.0025316 k( 202) = ( 0.4473684 0.1052632 0.5000000), wk = 0.0025316 k( 203) = ( 0.4385965 0.1228070 0.5000000), wk = 0.0025316 k( 204) = ( 0.4298246 0.1403509 0.5000000), wk = 0.0025316 k( 205) = ( 0.4210526 0.1578947 0.5000000), wk = 0.0025316 k( 206) = ( 0.4122807 0.1754386 0.5000000), wk = 0.0025316 k( 207) = ( 0.4035088 0.1929825 0.5000000), wk = 0.0025316 k( 208) = ( 0.3947368 0.2105263 0.5000000), wk = 0.0025316 k( 209) = ( 0.3859649 0.2280702 0.5000000), wk = 0.0025316 k( 210) = ( 0.3771930 0.2456140 0.5000000), wk = 0.0025316 k( 211) = ( 0.3684211 0.2631579 0.5000000), wk = 0.0025316 k( 212) = ( 0.3596491 0.2807017 0.5000000), wk = 0.0025316 k( 213) = ( 0.3508772 0.2982456 0.5000000), wk = 0.0025316 k( 214) = ( 0.3421053 0.3157895 0.5000000), wk = 0.0025316 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025316 k( 216) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025316 k( 217) = ( 0.3243243 0.3243243 0.5000000), wk = 0.0025316 k( 218) = ( 0.3153153 0.3153153 0.5000000), wk = 0.0025316 k( 219) = ( 0.3063063 0.3063063 0.5000000), wk = 0.0025316 k( 220) = ( 0.2972973 0.2972973 0.5000000), wk = 0.0025316 k( 221) = ( 0.2882883 0.2882883 0.5000000), wk = 0.0025316 k( 222) = ( 0.2792793 0.2792793 0.5000000), wk = 0.0025316 k( 223) = ( 0.2702703 0.2702703 0.5000000), wk = 0.0025316 k( 224) = ( 0.2612613 0.2612613 0.5000000), wk = 0.0025316 k( 225) = ( 0.2522523 0.2522522 0.5000000), wk = 0.0025316 k( 226) = ( 0.2432432 0.2432432 0.5000000), wk = 0.0025316 k( 227) = ( 0.2342342 0.2342342 0.5000000), wk = 0.0025316 k( 228) = ( 0.2252252 0.2252252 0.5000000), wk = 0.0025316 k( 229) = ( 0.2162162 0.2162162 0.5000000), wk = 0.0025316 k( 230) = ( 0.2072072 0.2072072 0.5000000), wk = 0.0025316 k( 231) = ( 0.1981982 0.1981982 0.5000000), wk = 0.0025316 k( 232) = ( 0.1891892 0.1891892 0.5000000), wk = 0.0025316 k( 233) = ( 0.1801802 0.1801802 0.5000000), wk = 0.0025316 k( 234) = ( 0.1711712 0.1711712 0.5000000), wk = 0.0025316 k( 235) = ( 0.1621622 0.1621622 0.5000000), wk = 0.0025316 k( 236) = ( 0.1531531 0.1531531 0.5000000), wk = 0.0025316 k( 237) = ( 0.1441441 0.1441441 0.5000000), wk = 0.0025316 k( 238) = ( 0.1351351 0.1351351 0.5000000), wk = 0.0025316 k( 239) = ( 0.1261261 0.1261261 0.5000000), wk = 0.0025316 k( 240) = ( 0.1171171 0.1171171 0.5000000), wk = 0.0025316 k( 241) = ( 0.1081081 0.1081081 0.5000000), wk = 0.0025316 k( 242) = ( 0.0990991 0.0990991 0.5000000), wk = 0.0025316 k( 243) = ( 0.0900901 0.0900901 0.5000000), wk = 0.0025316 k( 244) = ( 0.0810811 0.0810811 0.5000000), wk = 0.0025316 k( 245) = ( 0.0720721 0.0720721 0.5000000), wk = 0.0025316 k( 246) = ( 0.0630631 0.0630631 0.5000000), wk = 0.0025316 k( 247) = ( 0.0540540 0.0540540 0.5000000), wk = 0.0025316 k( 248) = ( 0.0450451 0.0450450 0.5000000), wk = 0.0025316 k( 249) = ( 0.0360360 0.0360360 0.5000000), wk = 0.0025316 k( 250) = ( 0.0270270 0.0270270 0.5000000), wk = 0.0025316 k( 251) = ( 0.0180180 0.0180180 0.5000000), wk = 0.0025316 k( 252) = ( 0.0090090 0.0090090 0.5000000), wk = 0.0025316 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 254) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0025316 k( 255) = ( 0.5000000 -0.0000000 0.4928571), wk = 0.0025316 k( 256) = ( 0.5000000 -0.0000000 0.4857143), wk = 0.0025316 k( 257) = ( 0.5000000 -0.0000000 0.4785714), wk = 0.0025316 k( 258) = ( 0.5000000 -0.0000000 0.4714286), wk = 0.0025316 k( 259) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0025316 k( 260) = ( 0.5000000 -0.0000000 0.4571429), wk = 0.0025316 k( 261) = ( 0.5000000 -0.0000000 0.4500000), wk = 0.0025316 k( 262) = ( 0.5000000 -0.0000000 0.4428571), wk = 0.0025316 k( 263) = ( 0.5000000 -0.0000000 0.4357143), wk = 0.0025316 k( 264) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0025316 k( 265) = ( 0.5000000 -0.0000000 0.4214286), wk = 0.0025316 k( 266) = ( 0.5000000 -0.0000000 0.4142857), wk = 0.0025316 k( 267) = ( 0.5000000 -0.0000000 0.4071429), wk = 0.0025316 k( 268) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0025316 k( 269) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0025316 k( 270) = ( 0.5000000 -0.0000000 0.3857143), wk = 0.0025316 k( 271) = ( 0.5000000 -0.0000000 0.3785714), wk = 0.0025316 k( 272) = ( 0.5000000 -0.0000000 0.3714286), wk = 0.0025316 k( 273) = ( 0.5000000 -0.0000000 0.3642857), wk = 0.0025316 k( 274) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0025316 k( 275) = ( 0.5000000 -0.0000000 0.3500000), wk = 0.0025316 k( 276) = ( 0.5000000 -0.0000000 0.3428571), wk = 0.0025316 k( 277) = ( 0.5000000 -0.0000000 0.3357143), wk = 0.0025316 k( 278) = ( 0.5000000 -0.0000000 0.3285714), wk = 0.0025316 k( 279) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0025316 k( 280) = ( 0.5000000 -0.0000000 0.3142857), wk = 0.0025316 k( 281) = ( 0.5000000 -0.0000000 0.3071429), wk = 0.0025316 k( 282) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0025316 k( 283) = ( 0.5000000 -0.0000000 0.2928571), wk = 0.0025316 k( 284) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0025316 k( 285) = ( 0.5000000 -0.0000000 0.2785714), wk = 0.0025316 k( 286) = ( 0.5000000 -0.0000000 0.2714286), wk = 0.0025316 k( 287) = ( 0.5000000 -0.0000000 0.2642857), wk = 0.0025316 k( 288) = ( 0.5000000 -0.0000000 0.2571429), wk = 0.0025316 k( 289) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0025316 k( 290) = ( 0.5000000 -0.0000000 0.2428571), wk = 0.0025316 k( 291) = ( 0.5000000 -0.0000000 0.2357143), wk = 0.0025316 k( 292) = ( 0.5000000 -0.0000000 0.2285714), wk = 0.0025316 k( 293) = ( 0.5000000 -0.0000000 0.2214286), wk = 0.0025316 k( 294) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0025316 k( 295) = ( 0.5000000 -0.0000000 0.2071429), wk = 0.0025316 k( 296) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0025316 k( 297) = ( 0.5000000 -0.0000000 0.1928571), wk = 0.0025316 k( 298) = ( 0.5000000 -0.0000000 0.1857143), wk = 0.0025316 k( 299) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0025316 k( 300) = ( 0.5000000 -0.0000000 0.1714286), wk = 0.0025316 k( 301) = ( 0.5000000 -0.0000000 0.1642857), wk = 0.0025316 k( 302) = ( 0.5000000 -0.0000000 0.1571429), wk = 0.0025316 k( 303) = ( 0.5000000 -0.0000000 0.1500000), wk = 0.0025316 k( 304) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0025316 k( 305) = ( 0.5000000 -0.0000000 0.1357143), wk = 0.0025316 k( 306) = ( 0.5000000 -0.0000000 0.1285714), wk = 0.0025316 k( 307) = ( 0.5000000 -0.0000000 0.1214286), wk = 0.0025316 k( 308) = ( 0.5000000 -0.0000000 0.1142857), wk = 0.0025316 k( 309) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0025316 k( 310) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0025316 k( 311) = ( 0.5000000 -0.0000000 0.0928571), wk = 0.0025316 k( 312) = ( 0.5000000 -0.0000000 0.0857143), wk = 0.0025316 k( 313) = ( 0.5000000 -0.0000000 0.0785714), wk = 0.0025316 k( 314) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0025316 k( 315) = ( 0.5000000 -0.0000000 0.0642857), wk = 0.0025316 k( 316) = ( 0.5000000 -0.0000000 0.0571429), wk = 0.0025316 k( 317) = ( 0.5000000 -0.0000000 0.0500000), wk = 0.0025316 k( 318) = ( 0.5000000 -0.0000000 0.0428571), wk = 0.0025316 k( 319) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0025316 k( 320) = ( 0.5000000 -0.0000000 0.0285714), wk = 0.0025316 k( 321) = ( 0.5000000 -0.0000000 0.0214286), wk = 0.0025316 k( 322) = ( 0.5000000 -0.0000000 0.0142857), wk = 0.0025316 k( 323) = ( 0.5000000 -0.0000000 0.0071429), wk = 0.0025316 k( 324) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0025316 k( 325) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025316 k( 326) = ( 0.3333333 0.3333333 0.0071429), wk = 0.0025316 k( 327) = ( 0.3333333 0.3333333 0.0142857), wk = 0.0025316 k( 328) = ( 0.3333333 0.3333333 0.0214286), wk = 0.0025316 k( 329) = ( 0.3333333 0.3333333 0.0285714), wk = 0.0025316 k( 330) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0025316 k( 331) = ( 0.3333333 0.3333333 0.0428571), wk = 0.0025316 k( 332) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0025316 k( 333) = ( 0.3333333 0.3333333 0.0571429), wk = 0.0025316 k( 334) = ( 0.3333333 0.3333333 0.0642857), wk = 0.0025316 k( 335) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0025316 k( 336) = ( 0.3333333 0.3333333 0.0785714), wk = 0.0025316 k( 337) = ( 0.3333333 0.3333333 0.0857143), wk = 0.0025316 k( 338) = ( 0.3333333 0.3333333 0.0928571), wk = 0.0025316 k( 339) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0025316 k( 340) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0025316 k( 341) = ( 0.3333333 0.3333333 0.1142857), wk = 0.0025316 k( 342) = ( 0.3333333 0.3333333 0.1214286), wk = 0.0025316 k( 343) = ( 0.3333333 0.3333333 0.1285714), wk = 0.0025316 k( 344) = ( 0.3333333 0.3333333 0.1357143), wk = 0.0025316 k( 345) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0025316 k( 346) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0025316 k( 347) = ( 0.3333333 0.3333333 0.1571429), wk = 0.0025316 k( 348) = ( 0.3333333 0.3333333 0.1642857), wk = 0.0025316 k( 349) = ( 0.3333333 0.3333333 0.1714286), wk = 0.0025316 k( 350) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0025316 k( 351) = ( 0.3333333 0.3333333 0.1857143), wk = 0.0025316 k( 352) = ( 0.3333333 0.3333333 0.1928571), wk = 0.0025316 k( 353) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0025316 k( 354) = ( 0.3333333 0.3333333 0.2071429), wk = 0.0025316 k( 355) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0025316 k( 356) = ( 0.3333333 0.3333333 0.2214286), wk = 0.0025316 k( 357) = ( 0.3333333 0.3333333 0.2285714), wk = 0.0025316 k( 358) = ( 0.3333333 0.3333333 0.2357143), wk = 0.0025316 k( 359) = ( 0.3333333 0.3333333 0.2428571), wk = 0.0025316 k( 360) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0025316 k( 361) = ( 0.3333333 0.3333333 0.2571429), wk = 0.0025316 k( 362) = ( 0.3333333 0.3333333 0.2642857), wk = 0.0025316 k( 363) = ( 0.3333333 0.3333333 0.2714286), wk = 0.0025316 k( 364) = ( 0.3333333 0.3333333 0.2785714), wk = 0.0025316 k( 365) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0025316 k( 366) = ( 0.3333333 0.3333333 0.2928571), wk = 0.0025316 k( 367) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0025316 k( 368) = ( 0.3333333 0.3333333 0.3071429), wk = 0.0025316 k( 369) = ( 0.3333333 0.3333333 0.3142857), wk = 0.0025316 k( 370) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0025316 k( 371) = ( 0.3333333 0.3333333 0.3285714), wk = 0.0025316 k( 372) = ( 0.3333333 0.3333333 0.3357143), wk = 0.0025316 k( 373) = ( 0.3333333 0.3333333 0.3428571), wk = 0.0025316 k( 374) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0025316 k( 375) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0025316 k( 376) = ( 0.3333333 0.3333333 0.3642857), wk = 0.0025316 k( 377) = ( 0.3333333 0.3333333 0.3714286), wk = 0.0025316 k( 378) = ( 0.3333333 0.3333333 0.3785714), wk = 0.0025316 k( 379) = ( 0.3333333 0.3333333 0.3857143), wk = 0.0025316 k( 380) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0025316 k( 381) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0025316 k( 382) = ( 0.3333333 0.3333333 0.4071429), wk = 0.0025316 k( 383) = ( 0.3333333 0.3333333 0.4142857), wk = 0.0025316 k( 384) = ( 0.3333333 0.3333333 0.4214286), wk = 0.0025316 k( 385) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0025316 k( 386) = ( 0.3333333 0.3333333 0.4357143), wk = 0.0025316 k( 387) = ( 0.3333333 0.3333333 0.4428571), wk = 0.0025316 k( 388) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0025316 k( 389) = ( 0.3333333 0.3333333 0.4571429), wk = 0.0025316 k( 390) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0025316 k( 391) = ( 0.3333333 0.3333333 0.4714286), wk = 0.0025316 k( 392) = ( 0.3333333 0.3333333 0.4785714), wk = 0.0025316 k( 393) = ( 0.3333333 0.3333333 0.4857143), wk = 0.0025316 k( 394) = ( 0.3333333 0.3333333 0.4928571), wk = 0.0025316 k( 395) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025316 Dense grid: 20167 G-vectors FFT dimensions: ( 50, 50, 20) Smooth grid: 14105 G-vectors FFT dimensions: ( 45, 45, 18) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 54, 28) NL pseudopotentials 0.03 Mb ( 27, 70) Each V/rho on FFT grid 0.04 Mb ( 2500) Each G-vector array 0.00 Mb ( 280) G-vector shells 0.00 Mb ( 144) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.09 Mb ( 54, 112) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.06 Mb ( 70, 2, 28) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Ba.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 8 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.4 secs Computing kpt #: 14 total cpu time spent up to now is 8.8 secs Computing kpt #: 15 total cpu time spent up to now is 9.3 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.7 secs Computing kpt #: 19 total cpu time spent up to now is 11.3 secs Computing kpt #: 20 total cpu time spent up to now is 11.7 secs Computing kpt #: 21 total cpu time spent up to now is 12.2 secs Computing kpt #: 22 total cpu time spent up to now is 12.9 secs Computing kpt #: 23 total cpu time spent up to now is 13.3 secs Computing kpt #: 24 total cpu time spent up to now is 13.7 secs Computing kpt #: 25 total cpu time spent up to now is 14.3 secs Computing kpt #: 26 total cpu time spent up to now is 14.7 secs Computing kpt #: 27 total cpu time spent up to now is 15.2 secs Computing kpt #: 28 total cpu time spent up to now is 15.7 secs Computing kpt #: 29 total cpu time spent up to now is 16.2 secs Computing kpt #: 30 total cpu time spent up to now is 16.6 secs Computing kpt #: 31 total cpu time spent up to now is 17.2 secs Computing kpt #: 32 total cpu time spent up to now is 17.6 secs Computing kpt #: 33 total cpu time spent up to now is 18.0 secs Computing kpt #: 34 total cpu time spent up to now is 18.5 secs Computing kpt #: 35 total cpu time spent up to now is 19.0 secs Computing kpt #: 36 total cpu time spent up to now is 19.8 secs Computing kpt #: 37 total cpu time spent up to now is 20.2 secs Computing kpt #: 38 total cpu time spent up to now is 20.6 secs Computing kpt #: 39 total cpu time spent up to now is 21.1 secs Computing kpt #: 40 total cpu time spent up to now is 21.5 secs Computing kpt #: 41 total cpu time spent up to now is 21.9 secs Computing kpt #: 42 total cpu time spent up to now is 22.2 secs Computing kpt #: 43 total cpu time spent up to now is 22.7 secs Computing kpt #: 44 total cpu time spent up to now is 23.0 secs Computing kpt #: 45 total cpu time spent up to now is 23.4 secs Computing kpt #: 46 total cpu time spent up to now is 23.9 secs Computing kpt #: 47 total cpu time spent up to now is 24.2 secs Computing kpt #: 48 total cpu time spent up to now is 24.6 secs Computing kpt #: 49 total cpu time spent up to now is 24.9 secs Computing kpt #: 50 total cpu time spent up to now is 25.4 secs Computing kpt #: 51 total cpu time spent up to now is 25.7 secs Computing kpt #: 52 total cpu time spent up to now is 26.0 secs Computing kpt #: 53 total cpu time spent up to now is 26.4 secs Computing kpt #: 54 total cpu time spent up to now is 26.8 secs Computing kpt #: 55 total cpu time spent up to now is 27.2 secs Computing kpt #: 56 total cpu time spent up to now is 27.5 secs Computing kpt #: 57 total cpu time spent up to now is 27.8 secs Computing kpt #: 58 total cpu time spent up to now is 28.3 secs Computing kpt #: 59 total cpu time spent up to now is 28.7 secs Computing kpt #: 60 total cpu time spent up to now is 29.1 secs Computing kpt #: 61 total cpu time spent up to now is 29.6 secs Computing kpt #: 62 total cpu time spent up to now is 29.9 secs Computing kpt #: 63 total cpu time spent up to now is 30.3 secs Computing kpt #: 64 total cpu time spent up to now is 30.6 secs Computing kpt #: 65 total cpu time spent up to now is 31.1 secs Computing kpt #: 66 total cpu time spent up to now is 31.6 secs Computing kpt #: 67 total cpu time spent up to now is 32.1 secs Computing kpt #: 68 total cpu time spent up to now is 32.8 secs Computing kpt #: 69 total cpu time spent up to now is 33.2 secs Computing kpt #: 70 total cpu time spent up to now is 34.0 secs Computing kpt #: 71 total cpu time spent up to now is 34.5 secs Computing kpt #: 72 total cpu time spent up to now is 35.1 secs Computing kpt #: 73 total cpu time spent up to now is 35.7 secs Computing kpt #: 74 total cpu time spent up to now is 36.2 secs Computing kpt #: 75 total cpu time spent up to now is 36.9 secs Computing kpt #: 76 total cpu time spent up to now is 37.4 secs Computing kpt #: 77 total cpu time spent up to now is 38.1 secs Computing kpt #: 78 total cpu time spent up to now is 38.6 secs Computing kpt #: 79 total cpu time spent up to now is 39.0 secs Computing kpt #: 80 total cpu time spent up to now is 39.7 secs Computing kpt #: 81 total cpu time spent up to now is 40.3 secs Computing kpt #: 82 total cpu time spent up to now is 40.9 secs Computing kpt #: 83 total cpu time spent up to now is 41.4 secs Computing kpt #: 84 total cpu time spent up to now is 41.9 secs Computing kpt #: 85 total cpu time spent up to now is 42.5 secs Computing kpt #: 86 total cpu time spent up to now is 43.0 secs Computing kpt #: 87 total cpu time spent up to now is 43.5 secs Computing kpt #: 88 total cpu time spent up to now is 43.9 secs Computing kpt #: 89 total cpu time spent up to now is 44.3 secs Computing kpt #: 90 total cpu time spent up to now is 44.8 secs Computing kpt #: 91 total cpu time spent up to now is 45.3 secs Computing kpt #: 92 total cpu time spent up to now is 45.7 secs Computing kpt #: 93 total cpu time spent up to now is 46.1 secs Computing kpt #: 94 total cpu time spent up to now is 46.6 secs Computing kpt #: 95 total cpu time spent up to now is 47.0 secs Computing kpt #: 96 total cpu time spent up to now is 47.3 secs Computing kpt #: 97 total cpu time spent up to now is 47.6 secs Computing kpt #: 98 total cpu time spent up to now is 48.2 secs Computing kpt #: 99 total cpu time spent up to now is 48.5 secs Computing kpt #: 100 total cpu time spent up to now is 48.9 secs Computing kpt #: 101 total cpu time spent up to now is 49.4 secs Computing kpt #: 102 total cpu time spent up to now is 49.7 secs Computing kpt #: 103 total cpu time spent up to now is 50.1 secs Computing kpt #: 104 total cpu time spent up to now is 50.4 secs Computing kpt #: 105 total cpu time spent up to now is 50.9 secs Computing kpt #: 106 total cpu time spent up to now is 51.3 secs Computing kpt #: 107 total cpu time spent up to now is 51.6 secs Computing kpt #: 108 total cpu time spent up to now is 52.1 secs Computing kpt #: 109 total cpu time spent up to now is 52.4 secs Computing kpt #: 110 total cpu time spent up to now is 52.8 secs Computing kpt #: 111 total cpu time spent up to now is 53.1 secs Computing kpt #: 112 total cpu time spent up to now is 53.6 secs Computing kpt #: 113 total cpu time spent up to now is 53.9 secs Computing kpt #: 114 total cpu time spent up to now is 54.3 secs Computing kpt #: 115 total cpu time spent up to now is 54.6 secs Computing kpt #: 116 total cpu time spent up to now is 55.1 secs Computing kpt #: 117 total cpu time spent up to now is 55.5 secs Computing kpt #: 118 total cpu time spent up to now is 55.8 secs Computing kpt #: 119 total cpu time spent up to now is 56.3 secs Computing kpt #: 120 total cpu time spent up to now is 56.8 secs Computing kpt #: 121 total cpu time spent up to now is 57.3 secs Computing kpt #: 122 total cpu time spent up to now is 57.9 secs Computing kpt #: 123 total cpu time spent up to now is 58.4 secs Computing kpt #: 124 total cpu time spent up to now is 59.0 secs Computing kpt #: 125 total cpu time spent up to now is 59.5 secs Computing kpt #: 126 total cpu time spent up to now is 60.1 secs Computing kpt #: 127 total cpu time spent up to now is 60.8 secs Computing kpt #: 128 total cpu time spent up to now is 61.2 secs Computing kpt #: 129 total cpu time spent up to now is 61.6 secs Computing kpt #: 130 total cpu time spent up to now is 62.1 secs Computing kpt #: 131 total cpu time spent up to now is 62.5 secs Computing kpt #: 132 total cpu time spent up to now is 63.0 secs Computing kpt #: 133 total cpu time spent up to now is 63.6 secs Computing kpt #: 134 total cpu time spent up to now is 64.2 secs Computing kpt #: 135 total cpu time spent up to now is 64.9 secs Computing kpt #: 136 total cpu time spent up to now is 65.3 secs Computing kpt #: 137 total cpu time spent up to now is 65.7 secs Computing kpt #: 138 total cpu time spent up to now is 66.3 secs Computing kpt #: 139 total cpu time spent up to now is 66.6 secs Computing kpt #: 140 total cpu time spent up to now is 67.0 secs Computing kpt #: 141 total cpu time spent up to now is 67.7 secs Computing kpt #: 142 total cpu time spent up to now is 68.2 secs Computing kpt #: 143 total cpu time spent up to now is 68.7 secs Computing kpt #: 144 total cpu time spent up to now is 69.4 secs Computing kpt #: 145 total cpu time spent up to now is 70.3 secs Computing kpt #: 146 total cpu time spent up to now is 71.0 secs Computing kpt #: 147 total cpu time spent up to now is 71.7 secs Computing kpt #: 148 total cpu time spent up to now is 72.3 secs Computing kpt #: 149 total cpu time spent up to now is 73.2 secs Computing kpt #: 150 total cpu time spent up to now is 73.6 secs Computing kpt #: 151 total cpu time spent up to now is 74.0 secs Computing kpt #: 152 total cpu time spent up to now is 74.8 secs Computing kpt #: 153 total cpu time spent up to now is 75.7 secs Computing kpt #: 154 total cpu time spent up to now is 76.4 secs Computing kpt #: 155 total cpu time spent up to now is 76.9 secs Computing kpt #: 156 total cpu time spent up to now is 77.5 secs Computing kpt #: 157 total cpu time spent up to now is 77.9 secs Computing kpt #: 158 total cpu time spent up to now is 78.4 secs Computing kpt #: 159 total cpu time spent up to now is 78.9 secs Computing kpt #: 160 total cpu time spent up to now is 79.2 secs Computing kpt #: 161 total cpu time spent up to now is 79.6 secs Computing kpt #: 162 total cpu time spent up to now is 79.9 secs Computing kpt #: 163 total cpu time spent up to now is 80.3 secs Computing kpt #: 164 total cpu time spent up to now is 80.7 secs Computing kpt #: 165 total cpu time spent up to now is 81.0 secs Computing kpt #: 166 total cpu time spent up to now is 81.4 secs Computing kpt #: 167 total cpu time spent up to now is 81.8 secs Computing kpt #: 168 total cpu time spent up to now is 82.1 secs Computing kpt #: 169 total cpu time spent up to now is 82.5 secs Computing kpt #: 170 total cpu time spent up to now is 82.9 secs Computing kpt #: 171 total cpu time spent up to now is 83.3 secs Computing kpt #: 172 total cpu time spent up to now is 83.7 secs Computing kpt #: 173 total cpu time spent up to now is 84.2 secs Computing kpt #: 174 total cpu time spent up to now is 84.7 secs Computing kpt #: 175 total cpu time spent up to now is 85.2 secs Computing kpt #: 176 total cpu time spent up to now is 85.8 secs Computing kpt #: 177 total cpu time spent up to now is 86.3 secs Computing kpt #: 178 total cpu time spent up to now is 86.8 secs Computing kpt #: 179 total cpu time spent up to now is 87.4 secs Computing kpt #: 180 total cpu time spent up to now is 88.0 secs Computing kpt #: 181 total cpu time spent up to now is 88.8 secs Computing kpt #: 182 total cpu time spent up to now is 89.5 secs Computing kpt #: 183 total cpu time spent up to now is 90.1 secs Computing kpt #: 184 total cpu time spent up to now is 90.7 secs Computing kpt #: 185 total cpu time spent up to now is 91.2 secs Computing kpt #: 186 total cpu time spent up to now is 91.7 secs Computing kpt #: 187 total cpu time spent up to now is 92.2 secs Computing kpt #: 188 total cpu time spent up to now is 92.8 secs Computing kpt #: 189 total cpu time spent up to now is 93.2 secs Computing kpt #: 190 total cpu time spent up to now is 93.7 secs Computing kpt #: 191 total cpu time spent up to now is 94.1 secs Computing kpt #: 192 total cpu time spent up to now is 94.6 secs Computing kpt #: 193 total cpu time spent up to now is 95.0 secs Computing kpt #: 194 total cpu time spent up to now is 95.4 secs Computing kpt #: 195 total cpu time spent up to now is 96.0 secs Computing kpt #: 196 total cpu time spent up to now is 96.4 secs Computing kpt #: 197 total cpu time spent up to now is 96.8 secs Computing kpt #: 198 total cpu time spent up to now is 97.4 secs Computing kpt #: 199 total cpu time spent up to now is 97.7 secs Computing kpt #: 200 total cpu time spent up to now is 98.1 secs Computing kpt #: 201 total cpu time spent up to now is 98.6 secs Computing kpt #: 202 total cpu time spent up to now is 99.0 secs Computing kpt #: 203 total cpu time spent up to now is 99.4 secs Computing kpt #: 204 total cpu time spent up to now is 99.8 secs Computing kpt #: 205 total cpu time spent up to now is 100.3 secs Computing kpt #: 206 total cpu time spent up to now is 100.7 secs Computing kpt #: 207 total cpu time spent up to now is 101.2 secs Computing kpt #: 208 total cpu time spent up to now is 101.7 secs Computing kpt #: 209 total cpu time spent up to now is 102.2 secs Computing kpt #: 210 total cpu time spent up to now is 102.6 secs Computing kpt #: 211 total cpu time spent up to now is 103.8 secs Computing kpt #: 212 total cpu time spent up to now is 104.5 secs Computing kpt #: 213 total cpu time spent up to now is 105.0 secs Computing kpt #: 214 total cpu time spent up to now is 105.6 secs Computing kpt #: 215 total cpu time spent up to now is 106.3 secs Computing kpt #: 216 total cpu time spent up to now is 107.0 secs Computing kpt #: 217 total cpu time spent up to now is 107.6 secs Computing kpt #: 218 total cpu time spent up to now is 108.1 secs Computing kpt #: 219 total cpu time spent up to now is 108.7 secs Computing kpt #: 220 total cpu time spent up to now is 109.1 secs Computing kpt #: 221 total cpu time spent up to now is 109.6 secs Computing kpt #: 222 total cpu time spent up to now is 110.2 secs Computing kpt #: 223 total cpu time spent up to now is 110.7 secs Computing kpt #: 224 total cpu time spent up to now is 111.2 secs Computing kpt #: 225 total cpu time spent up to now is 111.7 secs Computing kpt #: 226 total cpu time spent up to now is 112.1 secs Computing kpt #: 227 total cpu time spent up to now is 112.7 secs Computing kpt #: 228 total cpu time spent up to now is 113.2 secs Computing kpt #: 229 total cpu time spent up to now is 113.6 secs Computing kpt #: 230 total cpu time spent up to now is 114.2 secs Computing kpt #: 231 total cpu time spent up to now is 114.8 secs Computing kpt #: 232 total cpu time spent up to now is 115.5 secs Computing kpt #: 233 total cpu time spent up to now is 116.2 secs Computing kpt #: 234 total cpu time spent up to now is 117.0 secs Computing kpt #: 235 total cpu time spent up to now is 117.6 secs Computing kpt #: 236 total cpu time spent up to now is 118.3 secs Computing kpt #: 237 total cpu time spent up to now is 118.8 secs Computing kpt #: 238 total cpu time spent up to now is 119.4 secs Computing kpt #: 239 total cpu time spent up to now is 119.8 secs Computing kpt #: 240 total cpu time spent up to now is 120.4 secs Computing kpt #: 241 total cpu time spent up to now is 120.9 secs Computing kpt #: 242 total cpu time spent up to now is 121.4 secs Computing kpt #: 243 total cpu time spent up to now is 121.8 secs Computing kpt #: 244 total cpu time spent up to now is 122.2 secs Computing kpt #: 245 total cpu time spent up to now is 122.5 secs Computing kpt #: 246 total cpu time spent up to now is 122.9 secs Computing kpt #: 247 total cpu time spent up to now is 123.2 secs Computing kpt #: 248 total cpu time spent up to now is 123.5 secs Computing kpt #: 249 total cpu time spent up to now is 123.8 secs Computing kpt #: 250 total cpu time spent up to now is 124.1 secs Computing kpt #: 251 total cpu time spent up to now is 124.5 secs Computing kpt #: 252 total cpu time spent up to now is 124.9 secs Computing kpt #: 253 total cpu time spent up to now is 125.5 secs Computing kpt #: 254 total cpu time spent up to now is 125.9 secs Computing kpt #: 255 total cpu time spent up to now is 126.3 secs Computing kpt #: 256 total cpu time spent up to now is 126.7 secs Computing kpt #: 257 total cpu time spent up to now is 127.3 secs Computing kpt #: 258 total cpu time spent up to now is 127.7 secs Computing kpt #: 259 total cpu time spent up to now is 128.2 secs Computing kpt #: 260 total cpu time spent up to now is 128.8 secs Computing kpt #: 261 total cpu time spent up to now is 129.3 secs Computing kpt #: 262 total cpu time spent up to now is 129.7 secs Computing kpt #: 263 total cpu time spent up to now is 130.3 secs Computing kpt #: 264 total cpu time spent up to now is 130.7 secs Computing kpt #: 265 total cpu time spent up to now is 131.3 secs Computing kpt #: 266 total cpu time spent up to now is 131.8 secs Computing kpt #: 267 total cpu time spent up to now is 132.3 secs Computing kpt #: 268 total cpu time spent up to now is 132.9 secs Computing kpt #: 269 total cpu time spent up to now is 133.3 secs Computing kpt #: 270 total cpu time spent up to now is 133.8 secs Computing kpt #: 271 total cpu time spent up to now is 134.4 secs Computing kpt #: 272 total cpu time spent up to now is 134.8 secs Computing kpt #: 273 total cpu time spent up to now is 135.2 secs Computing kpt #: 274 total cpu time spent up to now is 135.8 secs Computing kpt #: 275 total cpu time spent up to now is 136.3 secs Computing kpt #: 276 total cpu time spent up to now is 136.6 secs Computing kpt #: 277 total cpu time spent up to now is 137.2 secs Computing kpt #: 278 total cpu time spent up to now is 137.7 secs Computing kpt #: 279 total cpu time spent up to now is 138.1 secs Computing kpt #: 280 total cpu time spent up to now is 138.6 secs Computing kpt #: 281 total cpu time spent up to now is 139.0 secs Computing kpt #: 282 total cpu time spent up to now is 139.4 secs Computing kpt #: 283 total cpu time spent up to now is 139.9 secs Computing kpt #: 284 total cpu time spent up to now is 140.4 secs Computing kpt #: 285 total cpu time spent up to now is 141.3 secs Computing kpt #: 286 total cpu time spent up to now is 141.8 secs Computing kpt #: 287 total cpu time spent up to now is 142.3 secs Computing kpt #: 288 total cpu time spent up to now is 142.9 secs Computing kpt #: 289 total cpu time spent up to now is 143.5 secs Computing kpt #: 290 total cpu time spent up to now is 144.2 secs Computing kpt #: 291 total cpu time spent up to now is 144.7 secs Computing kpt #: 292 total cpu time spent up to now is 145.1 secs Computing kpt #: 293 total cpu time spent up to now is 145.8 secs Computing kpt #: 294 total cpu time spent up to now is 146.2 secs Computing kpt #: 295 total cpu time spent up to now is 146.6 secs Computing kpt #: 296 total cpu time spent up to now is 147.1 secs Computing kpt #: 297 total cpu time spent up to now is 147.5 secs Computing kpt #: 298 total cpu time spent up to now is 147.8 secs Computing kpt #: 299 total cpu time spent up to now is 148.4 secs Computing kpt #: 300 total cpu time spent up to now is 148.9 secs Computing kpt #: 301 total cpu time spent up to now is 149.4 secs Computing kpt #: 302 total cpu time spent up to now is 150.1 secs Computing kpt #: 303 total cpu time spent up to now is 150.8 secs Computing kpt #: 304 total cpu time spent up to now is 151.4 secs Computing kpt #: 305 total cpu time spent up to now is 152.0 secs Computing kpt #: 306 total cpu time spent up to now is 152.5 secs Computing kpt #: 307 total cpu time spent up to now is 153.0 secs Computing kpt #: 308 total cpu time spent up to now is 153.4 secs Computing kpt #: 309 total cpu time spent up to now is 153.9 secs Computing kpt #: 310 total cpu time spent up to now is 154.3 secs Computing kpt #: 311 total cpu time spent up to now is 154.7 secs Computing kpt #: 312 total cpu time spent up to now is 155.2 secs Computing kpt #: 313 total cpu time spent up to now is 155.6 secs Computing kpt #: 314 total cpu time spent up to now is 156.1 secs Computing kpt #: 315 total cpu time spent up to now is 156.6 secs Computing kpt #: 316 total cpu time spent up to now is 157.1 secs Computing kpt #: 317 total cpu time spent up to now is 157.5 secs Computing kpt #: 318 total cpu time spent up to now is 158.1 secs Computing kpt #: 319 total cpu time spent up to now is 158.6 secs Computing kpt #: 320 total cpu time spent up to now is 159.0 secs Computing kpt #: 321 total cpu time spent up to now is 159.6 secs Computing kpt #: 322 total cpu time spent up to now is 160.0 secs Computing kpt #: 323 total cpu time spent up to now is 160.4 secs Computing kpt #: 324 total cpu time spent up to now is 161.0 secs Computing kpt #: 325 total cpu time spent up to now is 161.4 secs Computing kpt #: 326 total cpu time spent up to now is 161.7 secs Computing kpt #: 327 total cpu time spent up to now is 162.1 secs Computing kpt #: 328 total cpu time spent up to now is 162.6 secs Computing kpt #: 329 total cpu time spent up to now is 163.0 secs Computing kpt #: 330 total cpu time spent up to now is 163.3 secs Computing kpt #: 331 total cpu time spent up to now is 163.8 secs Computing kpt #: 332 total cpu time spent up to now is 164.1 secs Computing kpt #: 333 total cpu time spent up to now is 164.5 secs Computing kpt #: 334 total cpu time spent up to now is 164.8 secs Computing kpt #: 335 total cpu time spent up to now is 165.3 secs Computing kpt #: 336 total cpu time spent up to now is 165.6 secs Computing kpt #: 337 total cpu time spent up to now is 166.0 secs Computing kpt #: 338 total cpu time spent up to now is 166.3 secs Computing kpt #: 339 total cpu time spent up to now is 166.8 secs Computing kpt #: 340 total cpu time spent up to now is 167.2 secs Computing kpt #: 341 total cpu time spent up to now is 167.6 secs Computing kpt #: 342 total cpu time spent up to now is 167.9 secs Computing kpt #: 343 total cpu time spent up to now is 168.4 secs Computing kpt #: 344 total cpu time spent up to now is 168.7 secs Computing kpt #: 345 total cpu time spent up to now is 169.2 secs Computing kpt #: 346 total cpu time spent up to now is 169.8 secs Computing kpt #: 347 total cpu time spent up to now is 170.1 secs Computing kpt #: 348 total cpu time spent up to now is 170.5 secs Computing kpt #: 349 total cpu time spent up to now is 170.9 secs Computing kpt #: 350 total cpu time spent up to now is 172.0 secs Computing kpt #: 351 total cpu time spent up to now is 172.6 secs Computing kpt #: 352 total cpu time spent up to now is 172.9 secs Computing kpt #: 353 total cpu time spent up to now is 173.3 secs Computing kpt #: 354 total cpu time spent up to now is 173.7 secs Computing kpt #: 355 total cpu time spent up to now is 174.2 secs Computing kpt #: 356 total cpu time spent up to now is 174.5 secs Computing kpt #: 357 total cpu time spent up to now is 174.8 secs Computing kpt #: 358 total cpu time spent up to now is 175.2 secs Computing kpt #: 359 total cpu time spent up to now is 175.7 secs Computing kpt #: 360 total cpu time spent up to now is 176.0 secs Computing kpt #: 361 total cpu time spent up to now is 176.3 secs Computing kpt #: 362 total cpu time spent up to now is 176.8 secs Computing kpt #: 363 total cpu time spent up to now is 177.2 secs Computing kpt #: 364 total cpu time spent up to now is 177.6 secs Computing kpt #: 365 total cpu time spent up to now is 178.0 secs Computing kpt #: 366 total cpu time spent up to now is 178.5 secs Computing kpt #: 367 total cpu time spent up to now is 178.8 secs Computing kpt #: 368 total cpu time spent up to now is 179.2 secs Computing kpt #: 369 total cpu time spent up to now is 179.8 secs Computing kpt #: 370 total cpu time spent up to now is 180.2 secs Computing kpt #: 371 total cpu time spent up to now is 180.7 secs Computing kpt #: 372 total cpu time spent up to now is 181.4 secs Computing kpt #: 373 total cpu time spent up to now is 182.0 secs Computing kpt #: 374 total cpu time spent up to now is 182.7 secs Computing kpt #: 375 total cpu time spent up to now is 183.2 secs Computing kpt #: 376 total cpu time spent up to now is 183.8 secs Computing kpt #: 377 total cpu time spent up to now is 184.3 secs Computing kpt #: 378 total cpu time spent up to now is 184.8 secs Computing kpt #: 379 total cpu time spent up to now is 185.4 secs Computing kpt #: 380 total cpu time spent up to now is 185.9 secs Computing kpt #: 381 total cpu time spent up to now is 186.5 secs Computing kpt #: 382 total cpu time spent up to now is 187.2 secs Computing kpt #: 383 total cpu time spent up to now is 187.8 secs Computing kpt #: 384 total cpu time spent up to now is 188.5 secs Computing kpt #: 385 total cpu time spent up to now is 189.1 secs Computing kpt #: 386 total cpu time spent up to now is 189.8 secs Computing kpt #: 387 total cpu time spent up to now is 190.4 secs Computing kpt #: 388 total cpu time spent up to now is 191.1 secs Computing kpt #: 389 total cpu time spent up to now is 191.6 secs Computing kpt #: 390 total cpu time spent up to now is 192.3 secs Computing kpt #: 391 total cpu time spent up to now is 192.9 secs Computing kpt #: 392 total cpu time spent up to now is 193.4 secs Computing kpt #: 393 total cpu time spent up to now is 194.0 secs Computing kpt #: 394 total cpu time spent up to now is 194.6 secs Computing kpt #: 395 total cpu time spent up to now is 195.3 secs ethr = 5.00E-08, avg # of iterations = 23.3 total cpu time spent up to now is 195.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -19.7497 -19.7497 -19.3120 -19.3120 -5.2108 -5.2108 -4.0675 -4.0675 -3.7733 -3.7733 -2.4242 -2.4242 7.9850 7.9850 8.2421 8.2421 8.3942 8.3942 11.8837 11.8837 11.9190 11.9190 13.1022 13.1022 13.1094 13.1094 14.8663 14.8663 k = 0.0156 0.0090-0.0000 ( 1777 PWs) bands (ev): -19.7494 -19.7494 -19.3122 -19.3122 -5.2104 -5.2104 -4.0703 -4.0703 -3.7703 -3.7703 -2.4246 -2.4246 7.9850 7.9850 8.2420 8.2420 8.3972 8.3972 11.8753 11.8753 11.9109 11.9109 13.1071 13.1071 13.1146 13.1146 14.8734 14.8734 k = 0.0312 0.0180-0.0000 ( 1777 PWs) bands (ev): -19.7488 -19.7488 -19.3130 -19.3130 -5.2092 -5.2092 -4.0785 -4.0785 -3.7617 -3.7617 -2.4260 -2.4260 7.9849 7.9849 8.2415 8.2415 8.4061 8.4061 11.8470 11.8470 11.8906 11.8906 13.1211 13.1211 13.1297 13.1297 14.8949 14.8949 k = 0.0469 0.0271-0.0000 ( 1779 PWs) bands (ev): -19.7477 -19.7477 -19.3142 -19.3142 -5.2072 -5.2072 -4.0911 -4.0911 -3.7482 -3.7482 -2.4282 -2.4282 7.9849 7.9849 8.2408 8.2408 8.4208 8.4208 11.7966 11.7966 11.8643 11.8643 13.1420 13.1420 13.1531 13.1531 14.9303 14.9303 k = 0.0625 0.0361-0.0000 ( 1779 PWs) bands (ev): -19.7461 -19.7461 -19.3159 -19.3159 -5.2044 -5.2044 -4.1072 -4.1072 -3.7310 -3.7310 -2.4314 -2.4314 7.9849 7.9849 8.2398 8.2398 8.4412 8.4412 11.7282 11.7282 11.8328 11.8328 13.1656 13.1656 13.1843 13.1843 14.9789 14.9790 k = 0.0781 0.0451-0.0000 ( 1783 PWs) bands (ev): -19.7442 -19.7442 -19.3182 -19.3182 -5.2009 -5.2009 -4.1257 -4.1257 -3.7111 -3.7111 -2.4353 -2.4353 7.9850 7.9850 8.2386 8.2386 8.4672 8.4672 11.6469 11.6469 11.7959 11.7959 13.1875 13.1875 13.2231 13.2231 15.0398 15.0398 k = 0.0938 0.0541-0.0000 ( 1779 PWs) bands (ev): -19.7417 -19.7417 -19.3208 -19.3208 -5.1967 -5.1967 -4.1459 -4.1459 -3.6891 -3.6891 -2.4402 -2.4402 7.9854 7.9854 8.2370 8.2370 8.4987 8.4987 11.5566 11.5566 11.7544 11.7544 13.2051 13.2051 13.2682 13.2682 15.1111 15.1111 k = 0.1094 0.0631-0.0000 ( 1781 PWs) bands (ev): -19.7389 -19.7389 -19.3240 -19.3240 -5.1917 -5.1917 -4.1673 -4.1673 -3.6657 -3.6657 -2.4458 -2.4458 7.9861 7.9861 8.2352 8.2352 8.5354 8.5354 11.4604 11.4604 11.7091 11.7091 13.2164 13.2164 13.3184 13.3184 15.1896 15.1896 k = 0.1250 0.0722-0.0000 ( 1785 PWs) bands (ev): -19.7357 -19.7357 -19.3276 -19.3276 -5.1861 -5.1861 -4.1894 -4.1894 -3.6414 -3.6414 -2.4521 -2.4521 7.9871 7.9871 8.2331 8.2331 8.5773 8.5773 11.3604 11.3604 11.6610 11.6610 13.2203 13.2203 13.3730 13.3730 15.2702 15.2702 k = 0.1406 0.0812-0.0000 ( 1785 PWs) bands (ev): -19.7321 -19.7321 -19.3316 -19.3316 -5.1798 -5.1798 -4.2118 -4.2118 -3.6165 -3.6165 -2.4592 -2.4592 7.9884 7.9884 8.2307 8.2307 8.6241 8.6241 11.2585 11.2585 11.6108 11.6108 13.2162 13.2162 13.4310 13.4310 15.3437 15.3437 k = 0.1562 0.0902-0.0000 ( 1783 PWs) bands (ev): -19.7280 -19.7280 -19.3361 -19.3361 -5.1730 -5.1730 -4.2343 -4.2343 -3.5912 -3.5912 -2.4669 -2.4669 7.9901 7.9901 8.2281 8.2281 8.6758 8.6758 11.1560 11.1560 11.5593 11.5593 13.2040 13.2040 13.4918 13.4918 15.3995 15.3995 k = 0.1719 0.0992-0.0000 ( 1779 PWs) bands (ev): -19.7236 -19.7236 -19.3409 -19.3409 -5.1655 -5.1655 -4.2568 -4.2568 -3.5658 -3.5658 -2.4752 -2.4752 7.9922 7.9922 8.2253 8.2253 8.7320 8.7320 11.0541 11.0541 11.5071 11.5071 13.1836 13.1836 13.5550 13.5550 15.4360 15.4360 k = 0.1875 0.1083-0.0000 ( 1779 PWs) bands (ev): -19.7189 -19.7189 -19.3462 -19.3462 -5.1576 -5.1576 -4.2790 -4.2790 -3.5405 -3.5405 -2.4840 -2.4840 7.9947 7.9947 8.2222 8.2222 8.7927 8.7927 10.9536 10.9536 11.4547 11.4547 13.1553 13.1553 13.6202 13.6202 15.4614 15.4614 k = 0.2031 0.1173-0.0000 ( 1781 PWs) bands (ev): -19.7138 -19.7138 -19.3518 -19.3518 -5.1492 -5.1492 -4.3010 -4.3010 -3.5153 -3.5153 -2.4933 -2.4933 7.9976 7.9976 8.2189 8.2189 8.8575 8.8575 10.8554 10.8554 11.4026 11.4026 13.1193 13.1193 13.6869 13.6869 15.4824 15.4824 k = 0.2188 0.1263-0.0000 ( 1781 PWs) bands (ev): -19.7084 -19.7084 -19.3578 -19.3578 -5.1404 -5.1404 -4.3225 -4.3225 -3.4905 -3.4905 -2.5031 -2.5031 8.0008 8.0008 8.2154 8.2154 8.9263 8.9263 10.7599 10.7599 11.3512 11.3512 13.0762 13.0762 13.7550 13.7550 15.5025 15.5025 k = 0.2344 0.1353-0.0000 ( 1781 PWs) bands (ev): -19.7026 -19.7026 -19.3640 -19.3640 -5.1313 -5.1313 -4.3435 -4.3435 -3.4662 -3.4662 -2.5131 -2.5131 8.0043 8.0043 8.2117 8.2117 8.9988 8.9988 10.6678 10.6678 11.3009 11.3009 13.0261 13.0261 13.8241 13.8241 15.5235 15.5235 k = 0.2500 0.1443-0.0000 ( 1781 PWs) bands (ev): -19.6966 -19.6966 -19.3706 -19.3706 -5.1219 -5.1219 -4.3639 -4.3639 -3.4424 -3.4424 -2.5234 -2.5234 8.0082 8.0082 8.2079 8.2079 9.0746 9.0746 10.5795 10.5795 11.2520 11.2520 12.9696 12.9696 13.8941 13.8941 15.5463 15.5463 k = 0.2656 0.1534-0.0000 ( 1779 PWs) bands (ev): -19.6903 -19.6903 -19.3774 -19.3774 -5.1123 -5.1123 -4.3836 -4.3836 -3.4192 -3.4192 -2.5338 -2.5338 8.0123 8.0123 8.2038 8.2038 9.1535 9.1535 10.4953 10.4953 11.2047 11.2047 12.9073 12.9073 13.9647 13.9647 15.5715 15.5715 k = 0.2812 0.1624-0.0000 ( 1777 PWs) bands (ev): -19.6839 -19.6839 -19.3844 -19.3844 -5.1027 -5.1027 -4.4027 -4.4027 -3.3968 -3.3968 -2.5444 -2.5444 8.0167 8.0167 8.1997 8.1997 9.2348 9.2348 10.4158 10.4158 11.1594 11.1594 12.8395 12.8395 14.0356 14.0356 15.5992 15.5992 k = 0.2969 0.1714-0.0000 ( 1773 PWs) bands (ev): -19.6772 -19.6772 -19.3916 -19.3916 -5.0929 -5.0929 -4.4209 -4.4209 -3.3753 -3.3753 -2.5549 -2.5549 8.0213 8.0213 8.1954 8.1954 9.3182 9.3182 10.3412 10.3412 11.1162 11.1162 12.7670 12.7670 14.1067 14.1067 15.6298 15.6298 k = 0.3125 0.1804-0.0000 ( 1772 PWs) bands (ev): -19.6704 -19.6704 -19.3989 -19.3989 -5.0833 -5.0833 -4.4383 -4.4383 -3.3547 -3.3547 -2.5653 -2.5653 8.0260 8.0260 8.1910 8.1910 9.4028 9.4028 10.2719 10.2719 11.0754 11.0754 12.6905 12.6905 14.1775 14.1775 15.6634 15.6634 k = 0.3281 0.1894-0.0000 ( 1768 PWs) bands (ev): -19.6635 -19.6635 -19.4063 -19.4063 -5.0738 -5.0738 -4.4548 -4.4548 -3.3352 -3.3352 -2.5755 -2.5755 8.0309 8.0309 8.1865 8.1865 9.4879 9.4879 10.2087 10.2087 11.0372 11.0372 12.6108 12.6108 14.2477 14.2477 15.7000 15.7000 k = 0.3438 0.1985-0.0000 ( 1764 PWs) bands (ev): -19.6566 -19.6566 -19.4137 -19.4137 -5.0646 -5.0646 -4.4702 -4.4702 -3.3168 -3.3168 -2.5854 -2.5854 8.0359 8.0359 8.1820 8.1820 9.5721 9.5721 10.1521 10.1521 11.0017 11.0017 12.5287 12.5287 14.3169 14.3169 15.7397 15.7397 k = 0.3594 0.2075-0.0000 ( 1766 PWs) bands (ev): -19.6497 -19.6497 -19.4210 -19.4210 -5.0557 -5.0557 -4.4846 -4.4846 -3.2997 -3.2997 -2.5948 -2.5948 8.0410 8.0410 8.1775 8.1775 9.6532 9.6532 10.1037 10.1037 10.9691 10.9691 12.4454 12.4454 14.3845 14.3845 15.7824 15.7824 k = 0.3750 0.2165-0.0000 ( 1762 PWs) bands (ev): -19.6429 -19.6429 -19.4282 -19.4282 -5.0473 -5.0473 -4.4979 -4.4979 -3.2840 -3.2840 -2.6037 -2.6037 8.0459 8.0459 8.1730 8.1730 9.7278 9.7278 10.0662 10.0662 10.9396 10.9396 12.3621 12.3621 14.4499 14.4499 15.8280 15.8280 k = 0.3906 0.2255-0.0000 ( 1758 PWs) bands (ev): -19.6363 -19.6363 -19.4351 -19.4351 -5.0394 -5.0394 -4.5099 -4.5099 -3.2698 -3.2698 -2.6120 -2.6120 8.0508 8.0508 8.1686 8.1686 9.7885 9.7885 10.0456 10.0456 10.9133 10.9133 12.2802 12.2802 14.5122 14.5122 15.8764 15.8764 k = 0.4062 0.2345-0.0000 ( 1758 PWs) bands (ev): -19.6301 -19.6301 -19.4416 -19.4416 -5.0323 -5.0323 -4.5206 -4.5206 -3.2571 -3.2571 -2.6194 -2.6194 8.0555 8.0555 8.1643 8.1643 9.8248 9.8248 10.0512 10.0512 10.8902 10.8902 12.2015 12.2015 14.5704 14.5704 15.9272 15.9272 k = 0.4219 0.2436-0.0000 ( 1758 PWs) bands (ev): -19.6244 -19.6244 -19.4476 -19.4476 -5.0260 -5.0260 -4.5298 -4.5298 -3.2462 -3.2462 -2.6260 -2.6260 8.0599 8.0599 8.1604 8.1604 9.8338 9.8338 10.0840 10.0840 10.8705 10.8705 12.1280 12.1280 14.6234 14.6234 15.9801 15.9801 k = 0.4375 0.2526-0.0000 ( 1756 PWs) bands (ev): -19.6193 -19.6193 -19.4529 -19.4529 -5.0207 -5.0207 -4.5375 -4.5375 -3.2371 -3.2371 -2.6316 -2.6316 8.0639 8.0639 8.1568 8.1568 9.8273 9.8273 10.1300 10.1300 10.8543 10.8543 12.0622 12.0622 14.6697 14.6697 16.0343 16.0343 k = 0.4531 0.2616-0.0000 ( 1750 PWs) bands (ev): -19.6151 -19.6151 -19.4573 -19.4573 -5.0164 -5.0164 -4.5436 -4.5436 -3.2299 -3.2299 -2.6360 -2.6360 8.0672 8.0672 8.1537 8.1537 9.8167 9.8167 10.1755 10.1755 10.8416 10.8416 12.0067 12.0067 14.7080 14.7080 16.0881 16.0881 k = 0.4688 0.2706-0.0000 ( 1750 PWs) bands (ev): -19.6119 -19.6119 -19.4607 -19.4607 -5.0133 -5.0133 -4.5481 -4.5481 -3.2247 -3.2247 -2.6392 -2.6392 8.0698 8.0698 8.1514 8.1514 9.8071 9.8071 10.2127 10.2127 10.8325 10.8325 11.9643 11.9643 14.7367 14.7367 16.1384 16.1384 k = 0.4844 0.2797-0.0000 ( 1752 PWs) bands (ev): -19.6099 -19.6099 -19.4628 -19.4628 -5.0114 -5.0114 -4.5507 -4.5507 -3.2215 -3.2215 -2.6412 -2.6412 8.0714 8.0714 8.1499 8.1499 9.8007 9.8007 10.2367 10.2367 10.8271 10.8271 11.9376 11.9376 14.7545 14.7545 16.1780 16.1780 k = 0.5000 0.2887-0.0000 ( 1752 PWs) bands (ev): -19.6092 -19.6092 -19.4635 -19.4635 -5.0108 -5.0108 -4.5516 -4.5516 -3.2205 -3.2205 -2.6419 -2.6419 8.0720 8.0720 8.1494 8.1494 9.7985 9.7985 10.2451 10.2451 10.8252 10.8252 11.9285 11.9285 14.7605 14.7605 16.1941 16.1941 k = 0.5000 0.2887-0.0000 ( 1752 PWs) bands (ev): -19.6092 -19.6092 -19.4635 -19.4635 -5.0108 -5.0108 -4.5516 -4.5516 -3.2205 -3.2205 -2.6419 -2.6419 8.0720 8.0720 8.1494 8.1494 9.7985 9.7985 10.2451 10.2451 10.8252 10.8252 11.9285 11.9285 14.7605 14.7605 16.1941 16.1941 k = 0.4912 0.3039-0.0000 ( 1752 PWs) bands (ev): -19.6090 -19.6090 -19.4637 -19.4637 -5.0109 -5.0109 -4.5513 -4.5513 -3.2209 -3.2209 -2.6416 -2.6416 8.0721 8.0721 8.1493 8.1493 9.7958 9.7958 10.2466 10.2466 10.8258 10.8258 11.9343 11.9343 14.7452 14.7452 16.2093 16.2093 k = 0.4825 0.3191-0.0000 ( 1752 PWs) bands (ev): -19.6083 -19.6083 -19.4644 -19.4644 -5.0114 -5.0114 -4.5502 -4.5502 -3.2222 -3.2222 -2.6408 -2.6408 8.0724 8.0724 8.1491 8.1491 9.7878 9.7878 10.2513 10.2513 10.8273 10.8273 11.9518 11.9518 14.7017 14.7017 16.2240 16.2240 k = 0.4737 0.3343-0.0000 ( 1750 PWs) bands (ev): -19.6072 -19.6072 -19.4655 -19.4655 -5.0121 -5.0121 -4.5484 -4.5484 -3.2242 -3.2242 -2.6396 -2.6396 8.0729 8.0729 8.1487 8.1487 9.7749 9.7749 10.2590 10.2590 10.8297 10.8297 11.9805 11.9805 14.6354 14.6354 16.1143 16.1143 k = 0.4649 0.3494-0.0000 ( 1744 PWs) bands (ev): -19.6057 -19.6057 -19.4671 -19.4671 -5.0131 -5.0131 -4.5459 -4.5459 -3.2270 -3.2270 -2.6379 -2.6379 8.0735 8.0735 8.1482 8.1482 9.7577 9.7577 10.2697 10.2697 10.8326 10.8326 12.0202 12.0202 14.5527 14.5527 15.9789 15.9789 k = 0.4561 0.3646-0.0000 ( 1746 PWs) bands (ev): -19.6038 -19.6038 -19.4691 -19.4691 -5.0143 -5.0143 -4.5430 -4.5430 -3.2304 -3.2304 -2.6358 -2.6358 8.0744 8.0744 8.1475 8.1475 9.7370 9.7370 10.2833 10.2833 10.8355 10.8355 12.0703 12.0703 14.4593 14.4593 15.8377 15.8377 k = 0.4474 0.3798-0.0000 ( 1750 PWs) bands (ev): -19.6014 -19.6014 -19.4715 -19.4715 -5.0157 -5.0157 -4.5396 -4.5396 -3.2343 -3.2343 -2.6335 -2.6335 8.0755 8.0755 8.1467 8.1467 9.7137 9.7137 10.2998 10.2998 10.8382 10.8382 12.1301 12.1301 14.3597 14.3597 15.6932 15.6932 k = 0.4386 0.3950-0.0000 ( 1750 PWs) bands (ev): -19.5986 -19.5986 -19.4744 -19.4744 -5.0171 -5.0171 -4.5359 -4.5359 -3.2385 -3.2385 -2.6310 -2.6310 8.0767 8.0767 8.1457 8.1457 9.6886 9.6886 10.3190 10.3190 10.8402 10.8402 12.1989 12.1989 14.2572 14.2572 15.5469 15.5469 k = 0.4298 0.4102-0.0000 ( 1750 PWs) bands (ev): -19.5955 -19.5955 -19.4777 -19.4777 -5.0186 -5.0186 -4.5320 -4.5320 -3.2429 -3.2429 -2.6284 -2.6284 8.0782 8.0782 8.1445 8.1445 9.6625 9.6625 10.3408 10.3408 10.8412 10.8412 12.2759 12.2759 14.1540 14.1540 15.4000 15.4000 k = 0.4211 0.4254-0.0000 ( 1754 PWs) bands (ev): -19.5919 -19.5919 -19.4813 -19.4813 -5.0200 -5.0200 -4.5281 -4.5281 -3.2474 -3.2474 -2.6257 -2.6257 8.0798 8.0798 8.1431 8.1431 9.6362 9.6362 10.3651 10.3651 10.8408 10.8408 12.3602 12.3602 14.0520 14.0520 15.2538 15.2538 k = 0.4123 0.4406-0.0000 ( 1754 PWs) bands (ev): -19.5880 -19.5880 -19.4854 -19.4854 -5.0214 -5.0214 -4.5242 -4.5242 -3.2517 -3.2517 -2.6232 -2.6232 8.0816 8.0816 8.1416 8.1416 9.6104 9.6104 10.3916 10.3916 10.8389 10.8389 12.4510 12.4510 13.9525 13.9525 15.1094 15.1094 k = 0.4035 0.4558-0.0000 ( 1750 PWs) bands (ev): -19.5836 -19.5836 -19.4899 -19.4899 -5.0227 -5.0227 -4.5205 -4.5205 -3.2559 -3.2559 -2.6208 -2.6208 8.0836 8.0836 8.1400 8.1400 9.5857 9.5857 10.4202 10.4202 10.8350 10.8350 12.5474 12.5474 13.8565 13.8565 14.9680 14.9680 k = 0.3947 0.4710-0.0000 ( 1758 PWs) bands (ev): -19.5789 -19.5789 -19.4947 -19.4947 -5.0238 -5.0238 -4.5171 -4.5171 -3.2597 -3.2597 -2.6186 -2.6186 8.0858 8.0858 8.1381 8.1381 9.5626 9.5626 10.4505 10.4505 10.8288 10.8288 12.6481 12.6481 13.7649 13.7649 14.8311 14.8311 k = 0.3860 0.4862-0.0000 ( 1758 PWs) bands (ev): -19.5739 -19.5739 -19.4998 -19.4998 -5.0247 -5.0247 -4.5141 -4.5141 -3.2631 -3.2631 -2.6167 -2.6167 8.0880 8.0880 8.1361 8.1361 9.5415 9.5415 10.4825 10.4825 10.8200 10.8200 12.7521 12.7521 13.6784 13.6784 14.7004 14.7004 k = 0.3772 0.5014-0.0000 ( 1762 PWs) bands (ev): -19.5685 -19.5685 -19.5053 -19.5053 -5.0254 -5.0254 -4.5116 -4.5116 -3.2659 -3.2659 -2.6150 -2.6150 8.0903 8.0903 8.1341 8.1341 9.5229 9.5229 10.5158 10.5158 10.8082 10.8082 12.8577 12.8577 13.5975 13.5975 14.5777 14.5777 k = 0.3684 0.5166-0.0000 ( 1765 PWs) bands (ev): -19.5628 -19.5628 -19.5111 -19.5111 -5.0260 -5.0260 -4.5095 -4.5095 -3.2682 -3.2682 -2.6138 -2.6138 8.0927 8.0927 8.1319 8.1319 9.5071 9.5071 10.5500 10.5500 10.7931 10.7931 12.9626 12.9626 13.5227 13.5227 14.4656 14.4656 k = 0.3596 0.5318-0.0000 ( 1765 PWs) bands (ev): -19.5568 -19.5568 -19.5172 -19.5172 -5.0264 -5.0264 -4.5080 -4.5080 -3.2699 -3.2699 -2.6128 -2.6128 8.0949 8.0949 8.1299 8.1299 9.4944 9.4944 10.5850 10.5850 10.7742 10.7742 13.0638 13.0638 13.4545 13.4545 14.3677 14.3677 k = 0.3509 0.5470-0.0000 ( 1757 PWs) bands (ev): -19.5504 -19.5504 -19.5236 -19.5236 -5.0266 -5.0266 -4.5070 -4.5070 -3.2711 -3.2711 -2.6122 -2.6122 8.0969 8.0969 8.1281 8.1281 9.4851 9.4851 10.6204 10.6204 10.7512 10.7512 13.1566 13.1566 13.3934 13.3934 14.2889 14.2889 k = 0.3421 0.5622-0.0000 ( 1773 PWs) bands (ev): -19.5439 -19.5439 -19.5302 -19.5302 -5.0267 -5.0267 -4.5064 -4.5064 -3.2717 -3.2717 -2.6118 -2.6118 8.0983 8.0983 8.1268 8.1268 9.4794 9.4794 10.6559 10.6559 10.7236 10.7236 13.2339 13.2339 13.3401 13.3401 14.2361 14.2361 k = 0.3333 0.5774-0.0000 ( 1773 PWs) bands (ev): -19.5372 -19.5372 -19.5369 -19.5369 -5.0267 -5.0267 -4.5062 -4.5062 -3.2719 -3.2719 -2.6117 -2.6117 8.0988 8.0988 8.1263 8.1263 9.4774 9.4774 10.6908 10.6908 10.6915 10.6915 13.2785 13.2785 13.3050 13.3050 14.2170 14.2170 k = 0.3333 0.5774-0.0000 ( 1773 PWs) bands (ev): -19.5372 -19.5372 -19.5369 -19.5369 -5.0267 -5.0267 -4.5062 -4.5062 -3.2719 -3.2719 -2.6117 -2.6117 8.0988 8.0988 8.1263 8.1263 9.4774 9.4774 10.6908 10.6908 10.6915 10.6915 13.2785 13.2785 13.3050 13.3050 14.2170 14.2170 k = 0.3243 0.5617-0.0000 ( 1771 PWs) bands (ev): -19.5443 -19.5443 -19.5298 -19.5298 -5.0267 -5.0267 -4.5064 -4.5064 -3.2717 -3.2717 -2.6118 -2.6118 8.0982 8.0982 8.1269 8.1269 9.4795 9.4795 10.6523 10.6523 10.7268 10.7268 13.2493 13.2493 13.3234 13.3234 14.2381 14.2381 k = 0.3153 0.5461-0.0000 ( 1759 PWs) bands (ev): -19.5517 -19.5517 -19.5223 -19.5223 -5.0268 -5.0268 -4.5067 -4.5067 -3.2714 -3.2714 -2.6120 -2.6120 8.0964 8.0964 8.1286 8.1286 9.4859 9.4859 10.6078 10.6078 10.7617 10.7617 13.2183 13.2183 13.3242 13.3242 14.2994 14.2994 k = 0.3063 0.5305-0.0000 ( 1761 PWs) bands (ev): -19.5593 -19.5593 -19.5146 -19.5146 -5.0270 -5.0270 -4.5071 -4.5071 -3.2710 -3.2710 -2.6122 -2.6122 8.0936 8.0936 8.1312 8.1312 9.4967 9.4967 10.5574 10.5574 10.7956 10.7956 13.1948 13.1948 13.3058 13.3058 14.3933 14.3933 k = 0.2973 0.5149-0.0000 ( 1761 PWs) bands (ev): -19.5671 -19.5671 -19.5067 -19.5067 -5.0275 -5.0275 -4.5073 -4.5073 -3.2708 -3.2708 -2.6123 -2.6123 8.0901 8.0901 8.1344 8.1344 9.5120 9.5120 10.5013 10.5013 10.8283 10.8283 13.1791 13.1791 13.2767 13.2767 14.5106 14.5106 k = 0.2883 0.4993-0.0000 ( 1761 PWs) bands (ev): -19.5750 -19.5750 -19.4987 -19.4987 -5.0283 -5.0283 -4.5072 -4.5072 -3.2710 -3.2710 -2.6121 -2.6121 8.0860 8.0860 8.1382 8.1382 9.5318 9.5318 10.4395 10.4395 10.8597 10.8597 13.1711 13.1711 13.2439 13.2439 14.6438 14.6438 k = 0.2793 0.4837-0.0000 ( 1761 PWs) bands (ev): -19.5829 -19.5829 -19.4906 -19.4906 -5.0295 -5.0295 -4.5066 -4.5066 -3.2718 -3.2718 -2.6116 -2.6116 8.0816 8.0816 8.1422 8.1422 9.5560 9.5560 10.3725 10.3725 10.8899 10.8899 13.1700 13.1700 13.2123 13.2123 14.7881 14.7881 k = 0.2703 0.4681-0.0000 ( 1755 PWs) bands (ev): -19.5910 -19.5910 -19.4823 -19.4823 -5.0313 -5.0313 -4.5054 -4.5054 -3.2734 -3.2734 -2.6106 -2.6106 8.0769 8.0769 8.1464 8.1464 9.5847 9.5847 10.3009 10.3009 10.9188 10.9188 13.1707 13.1707 13.1891 13.1891 14.9399 14.9399 k = 0.2613 0.4525-0.0000 ( 1755 PWs) bands (ev): -19.5991 -19.5991 -19.4740 -19.4740 -5.0338 -5.0338 -4.5032 -4.5032 -3.2761 -3.2761 -2.6090 -2.6090 8.0720 8.0720 8.1508 8.1508 9.6174 9.6174 10.2255 10.2255 10.9467 10.9467 13.1540 13.1540 13.1943 13.1943 15.0968 15.0968 k = 0.2523 0.4369-0.0000 ( 1755 PWs) bands (ev): -19.6072 -19.6072 -19.4656 -19.4656 -5.0369 -5.0369 -4.5000 -4.5000 -3.2800 -3.2800 -2.6067 -2.6067 8.0670 8.0670 8.1553 8.1553 9.6536 9.6536 10.1477 10.1477 10.9737 10.9737 13.1355 13.1355 13.2122 13.2122 15.2570 15.2570 k = 0.2432 0.4213-0.0000 ( 1755 PWs) bands (ev): -19.6152 -19.6152 -19.4572 -19.4572 -5.0408 -5.0408 -4.4957 -4.4957 -3.2853 -3.2853 -2.6037 -2.6037 8.0618 8.0618 8.1598 8.1598 9.6917 9.6917 10.0696 10.0696 11.0001 11.0001 13.1216 13.1216 13.2357 13.2357 15.4184 15.4184 k = 0.2342 0.4057-0.0000 ( 1755 PWs) bands (ev): -19.6233 -19.6233 -19.4488 -19.4488 -5.0454 -5.0454 -4.4900 -4.4900 -3.2921 -3.2921 -2.5997 -2.5997 8.0566 8.0566 8.1644 8.1644 9.7272 9.7272 9.9964 9.9964 11.0262 11.0262 13.1126 13.1126 13.2634 13.2634 15.5792 15.5792 k = 0.2252 0.3901-0.0000 ( 1757 PWs) bands (ev): -19.6313 -19.6313 -19.4404 -19.4404 -5.0508 -5.0508 -4.4831 -4.4831 -3.3005 -3.3005 -2.5950 -2.5950 8.0513 8.0513 8.1691 8.1691 9.7454 9.7454 9.9436 9.9436 11.0522 11.0522 13.1084 13.1084 13.2941 13.2941 15.7366 15.7366 k = 0.2162 0.3745-0.0000 ( 1763 PWs) bands (ev): -19.6392 -19.6392 -19.4321 -19.4321 -5.0569 -5.0569 -4.4747 -4.4747 -3.3106 -3.3106 -2.5893 -2.5893 8.0460 8.0460 8.1737 8.1737 9.7184 9.7184 9.9396 9.9396 11.0786 11.0786 13.1084 13.1084 13.3268 13.3268 15.8865 15.8865 k = 0.2072 0.3589-0.0000 ( 1767 PWs) bands (ev): -19.6470 -19.6470 -19.4238 -19.4238 -5.0637 -5.0637 -4.4649 -4.4649 -3.3223 -3.3223 -2.5828 -2.5828 8.0408 8.0408 8.1783 8.1783 9.6525 9.6525 9.9787 9.9787 11.1056 11.1056 13.1122 13.1122 13.3603 13.3603 16.0229 16.0229 k = 0.1982 0.3433-0.0000 ( 1769 PWs) bands (ev): -19.6547 -19.6547 -19.4157 -19.4157 -5.0711 -5.0711 -4.4536 -4.4536 -3.3357 -3.3357 -2.5756 -2.5756 8.0356 8.0356 8.1828 8.1828 9.5723 9.5723 10.0370 10.0370 11.1334 11.1334 13.1192 13.1192 13.3935 13.3935 16.1363 16.1363 k = 0.1892 0.3277-0.0000 ( 1771 PWs) bands (ev): -19.6622 -19.6622 -19.4077 -19.4077 -5.0790 -5.0790 -4.4410 -4.4410 -3.3508 -3.3508 -2.5677 -2.5677 8.0306 8.0306 8.1873 8.1873 9.4876 9.4876 10.1049 10.1049 11.1624 11.1624 13.1290 13.1290 13.4253 13.4253 16.2139 16.2139 k = 0.1802 0.3121-0.0000 ( 1771 PWs) bands (ev): -19.6695 -19.6695 -19.3999 -19.3999 -5.0874 -5.0874 -4.4271 -4.4271 -3.3674 -3.3674 -2.5591 -2.5591 8.0257 8.0257 8.1917 8.1917 9.4019 9.4019 10.1796 10.1796 11.1927 11.1927 13.1409 13.1409 13.4544 13.4544 16.1354 16.1354 k = 0.1712 0.2965-0.0000 ( 1771 PWs) bands (ev): -19.6766 -19.6766 -19.3923 -19.3923 -5.0962 -5.0962 -4.4119 -4.4119 -3.3854 -3.3854 -2.5501 -2.5501 8.0209 8.0209 8.1960 8.1960 9.3169 9.3169 10.2596 10.2596 11.2245 11.2245 13.1544 13.1544 13.4799 13.4799 16.0465 16.0465 k = 0.1622 0.2809-0.0000 ( 1773 PWs) bands (ev): -19.6835 -19.6835 -19.3848 -19.3848 -5.1051 -5.1051 -4.3956 -4.3956 -3.4048 -3.4048 -2.5408 -2.5408 8.0164 8.0164 8.2002 8.2002 9.2333 9.2333 10.3443 10.3443 11.2580 11.2580 13.1688 13.1688 13.5005 13.5005 15.9632 15.9632 k = 0.1532 0.2653-0.0000 ( 1773 PWs) bands (ev): -19.6901 -19.6901 -19.3776 -19.3776 -5.1142 -5.1142 -4.3781 -4.3781 -3.4254 -3.4254 -2.5311 -2.5311 8.0120 8.0120 8.2043 8.2043 9.1519 9.1519 10.4333 10.4333 11.2932 11.2932 13.1837 13.1837 13.5154 13.5154 15.8862 15.8862 k = 0.1441 0.2497-0.0000 ( 1779 PWs) bands (ev): -19.6965 -19.6965 -19.3707 -19.3707 -5.1233 -5.1233 -4.3596 -4.3596 -3.4471 -3.4471 -2.5214 -2.5214 8.0079 8.0079 8.2083 8.2083 9.0731 9.0731 10.5262 10.5262 11.3301 11.3301 13.1985 13.1985 13.5237 13.5237 15.8164 15.8164 k = 0.1351 0.2341-0.0000 ( 1775 PWs) bands (ev): -19.7026 -19.7026 -19.3641 -19.3641 -5.1323 -5.1323 -4.3403 -4.3403 -3.4698 -3.4698 -2.5117 -2.5117 8.0041 8.0041 8.2121 8.2121 8.9973 8.9973 10.6226 10.6226 11.3688 11.3688 13.2126 13.2126 13.5249 13.5249 15.7540 15.7540 k = 0.1261 0.2185-0.0000 ( 1781 PWs) bands (ev): -19.7083 -19.7083 -19.3578 -19.3578 -5.1411 -5.1411 -4.3201 -4.3201 -3.4932 -3.4932 -2.5021 -2.5021 8.0006 8.0006 8.2157 8.2157 8.9250 8.9250 10.7220 10.7220 11.4091 11.4091 13.2254 13.2254 13.5186 13.5186 15.6994 15.6994 k = 0.1171 0.2029-0.0000 ( 1781 PWs) bands (ev): -19.7138 -19.7138 -19.3518 -19.3518 -5.1497 -5.1497 -4.2992 -4.2992 -3.5173 -3.5173 -2.4926 -2.4926 7.9974 7.9974 8.2191 8.2191 8.8563 8.8563 10.8242 10.8242 11.4509 11.4509 13.2363 13.2363 13.5048 13.5048 15.6525 15.6525 k = 0.1081 0.1872-0.0000 ( 1783 PWs) bands (ev): -19.7189 -19.7189 -19.3462 -19.3462 -5.1579 -5.1579 -4.2777 -4.2777 -3.5419 -3.5419 -2.4836 -2.4836 7.9946 7.9946 8.2224 8.2224 8.7916 8.7916 10.9284 10.9284 11.4941 11.4941 13.2446 13.2446 13.4837 13.4837 15.6131 15.6131 k = 0.0991 0.1716-0.0000 ( 1783 PWs) bands (ev): -19.7237 -19.7237 -19.3409 -19.3409 -5.1658 -5.1658 -4.2558 -4.2558 -3.5668 -3.5668 -2.4749 -2.4749 7.9922 7.9922 8.2254 8.2254 8.7311 8.7311 11.0342 11.0342 11.5383 11.5383 13.2498 13.2498 13.4562 13.4562 15.5788 15.5788 k = 0.0901 0.1560-0.0000 ( 1783 PWs) bands (ev): -19.7281 -19.7281 -19.3360 -19.3360 -5.1731 -5.1731 -4.2336 -4.2336 -3.5919 -3.5919 -2.4667 -2.4667 7.9901 7.9901 8.2282 8.2282 8.6750 8.6750 11.1408 11.1408 11.5832 11.5832 13.2512 13.2512 13.4229 13.4229 15.4857 15.4857 k = 0.0811 0.1404-0.0000 ( 1785 PWs) bands (ev): -19.7321 -19.7321 -19.3316 -19.3316 -5.1799 -5.1799 -4.2113 -4.2113 -3.6170 -3.6170 -2.4590 -2.4590 7.9884 7.9884 8.2308 8.2308 8.6235 8.6235 11.2473 11.2473 11.6284 11.6284 13.2483 13.2483 13.3852 13.3852 15.3839 15.3839 k = 0.0721 0.1248-0.0000 ( 1781 PWs) bands (ev): -19.7357 -19.7357 -19.3275 -19.3275 -5.1862 -5.1862 -4.1890 -4.1890 -3.6418 -3.6418 -2.4520 -2.4520 7.9870 7.9870 8.2331 8.2331 8.5768 8.5768 11.3526 11.3526 11.6734 11.6734 13.2407 13.2407 13.3444 13.3444 15.2866 15.2866 k = 0.0631 0.1092-0.0000 ( 1777 PWs) bands (ev): -19.7389 -19.7389 -19.3240 -19.3240 -5.1918 -5.1918 -4.1670 -4.1670 -3.6660 -3.6660 -2.4457 -2.4457 7.9861 7.9861 8.2352 8.2352 8.5350 8.5350 11.4554 11.4554 11.7173 11.7173 13.2282 13.2282 13.3021 13.3021 15.1956 15.1956 k = 0.0541 0.0936-0.0000 ( 1777 PWs) bands (ev): -19.7418 -19.7418 -19.3208 -19.3208 -5.1967 -5.1967 -4.1457 -4.1457 -3.6893 -3.6893 -2.4401 -2.4401 7.9854 7.9854 8.2370 8.2370 8.4984 8.4984 11.5537 11.5537 11.7593 11.7593 13.2110 13.2110 13.2599 13.2599 15.1129 15.1129 k = 0.0450 0.0780-0.0000 ( 1777 PWs) bands (ev): -19.7442 -19.7442 -19.3181 -19.3181 -5.2010 -5.2010 -4.1256 -4.1256 -3.7112 -3.7112 -2.4353 -2.4353 7.9851 7.9851 8.2386 8.2386 8.4670 8.4670 11.6455 11.6455 11.7986 11.7986 13.1898 13.1898 13.2197 13.2197 15.0401 15.0401 k = 0.0360 0.0624-0.0000 ( 1777 PWs) bands (ev): -19.7461 -19.7461 -19.3159 -19.3159 -5.2045 -5.2045 -4.1071 -4.1071 -3.7311 -3.7311 -2.4313 -2.4313 7.9849 7.9849 8.2398 8.2398 8.4411 8.4411 11.7277 11.7277 11.8340 11.8340 13.1659 13.1659 13.1835 13.1835 14.9788 14.9788 k = 0.0270 0.0468-0.0000 ( 1781 PWs) bands (ev): -19.7477 -19.7477 -19.3142 -19.3142 -5.2072 -5.2072 -4.0911 -4.0911 -3.7483 -3.7483 -2.4282 -2.4282 7.9849 7.9849 8.2408 8.2408 8.4207 8.4207 11.7965 11.7965 11.8648 11.8648 13.1418 13.1418 13.1530 13.1530 14.9301 14.9301 k = 0.0180 0.0312-0.0000 ( 1777 PWs) bands (ev): -19.7488 -19.7488 -19.3130 -19.3130 -5.2092 -5.2092 -4.0785 -4.0785 -3.7617 -3.7617 -2.4260 -2.4260 7.9849 7.9849 8.2415 8.2415 8.4060 8.4060 11.8470 11.8470 11.8907 11.8907 13.1210 13.1210 13.1297 13.1297 14.8948 14.8948 k = 0.0090 0.0156-0.0000 ( 1777 PWs) bands (ev): -19.7494 -19.7494 -19.3122 -19.3122 -5.2104 -5.2104 -4.0703 -4.0703 -3.7703 -3.7703 -2.4246 -2.4246 7.9850 7.9850 8.2420 8.2420 8.3972 8.3972 11.8753 11.8753 11.9109 11.9109 13.1071 13.1071 13.1146 13.1146 14.8734 14.8734 k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -19.7497 -19.7497 -19.3120 -19.3120 -5.2108 -5.2108 -4.0675 -4.0675 -3.7733 -3.7733 -2.4242 -2.4242 7.9850 7.9850 8.2421 8.2421 8.3942 8.3942 11.8837 11.8837 11.9190 11.9190 13.1022 13.1022 13.1094 13.1094 14.8663 14.8663 k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -19.7497 -19.7497 -19.3120 -19.3120 -5.2108 -5.2108 -4.0675 -4.0675 -3.7733 -3.7733 -2.4242 -2.4242 7.9850 7.9850 8.2421 8.2421 8.3942 8.3942 11.8837 11.8837 11.9190 11.9190 13.1022 13.1022 13.1094 13.1094 14.8663 14.8663 k = 0.0000 0.0000 0.0182 ( 1773 PWs) bands (ev): -19.7482 -19.7482 -19.3105 -19.3105 -5.2095 -5.2095 -4.0661 -4.0661 -3.7721 -3.7721 -2.4228 -2.4228 7.9490 7.9490 8.2226 8.2226 8.4142 8.4142 11.8848 11.8848 11.9204 11.9204 13.1035 13.1035 13.1103 13.1103 14.8752 14.8752 k = 0.0000 0.0000 0.0365 ( 1785 PWs) bands (ev): -19.7437 -19.7437 -19.3060 -19.3060 -5.2056 -5.2056 -4.0619 -4.0619 -3.7683 -3.7683 -2.4186 -2.4186 7.8552 7.8552 8.1648 8.1648 8.4604 8.4604 11.8879 11.8879 11.9246 11.9246 13.1074 13.1074 13.1130 13.1130 14.9015 14.9015 k = 0.0000 0.0000 0.0547 ( 1791 PWs) bands (ev): -19.7362 -19.7362 -19.2985 -19.2985 -5.1991 -5.1991 -4.0550 -4.0550 -3.7621 -3.7621 -2.4117 -2.4117 7.7233 7.7233 8.0704 8.0704 8.5142 8.5142 11.8933 11.8933 11.9315 11.9315 13.1140 13.1140 13.1176 13.1176 14.9437 14.9437 k = 0.0000 0.0000 0.0730 ( 1791 PWs) bands (ev): -19.7258 -19.7258 -19.2880 -19.2880 -5.1900 -5.1900 -4.0452 -4.0452 -3.7533 -3.7533 -2.4020 -2.4020 7.5635 7.5635 7.9421 7.9421 8.5675 8.5675 11.9010 11.9010 11.9411 11.9411 13.1231 13.1231 13.1244 13.1244 14.9997 14.9997 k = 0.0000 0.0000 0.0912 ( 1779 PWs) bands (ev): -19.7123 -19.7123 -19.2745 -19.2745 -5.1783 -5.1783 -4.0327 -4.0327 -3.7421 -3.7421 -2.3896 -2.3896 7.3808 7.3808 7.7830 7.7830 8.6178 8.6178 11.9112 11.9112 11.9535 11.9535 13.1336 13.1336 13.1349 13.1349 15.0671 15.0671 k = 0.0000 0.0000 0.1095 ( 1779 PWs) bands (ev): -19.6959 -19.6959 -19.2581 -19.2581 -5.1640 -5.1640 -4.0174 -4.0174 -3.7285 -3.7285 -2.3744 -2.3744 7.1779 7.1779 7.5968 7.5968 8.6650 8.6650 11.9239 11.9239 11.9687 11.9687 13.1452 13.1452 13.1492 13.1492 15.1429 15.1429 k = 0.0000 0.0000 0.1277 ( 1779 PWs) bands (ev): -19.6765 -19.6765 -19.2386 -19.2386 -5.1472 -5.1472 -3.9993 -3.9993 -3.7123 -3.7123 -2.3565 -2.3565 6.9571 6.9571 7.3868 7.3868 8.7097 8.7097 11.9393 11.9393 11.9866 11.9866 13.1594 13.1594 13.1662 13.1662 15.2248 15.2248 k = 0.0000 0.0000 0.1459 ( 1779 PWs) bands (ev): -19.6540 -19.6540 -19.2161 -19.2161 -5.1278 -5.1278 -3.9785 -3.9785 -3.6938 -3.6938 -2.3358 -2.3358 6.7205 6.7205 7.1565 7.1565 8.7526 8.7526 11.9575 11.9575 12.0072 12.0072 13.1762 13.1762 13.1857 13.1857 15.3103 15.3103 k = 0.0000 0.0000 0.1642 ( 1779 PWs) bands (ev): -19.6287 -19.6287 -19.1907 -19.1907 -5.1059 -5.1059 -3.9549 -3.9549 -3.6729 -3.6729 -2.3124 -2.3124 6.4698 6.4698 6.9087 6.9087 8.7947 8.7947 11.9785 11.9785 12.0306 12.0306 13.1958 13.1958 13.2079 13.2079 15.3976 15.3976 k = 0.0000 0.0000 0.1824 ( 1779 PWs) bands (ev): -19.6003 -19.6003 -19.1622 -19.1622 -5.0815 -5.0815 -3.9286 -3.9286 -3.6496 -3.6496 -2.2863 -2.2863 6.2069 6.2069 6.6463 6.6463 8.8365 8.8365 12.0023 12.0023 12.0567 12.0567 13.2180 13.2180 13.2325 13.2325 15.4853 15.4853 k = 0.0000 0.0000 0.2007 ( 1773 PWs) bands (ev): -19.5689 -19.5689 -19.1308 -19.1308 -5.0546 -5.0546 -3.8996 -3.8996 -3.6239 -3.6239 -2.2575 -2.2575 5.9334 5.9334 6.3715 6.3715 8.8787 8.8787 12.0289 12.0289 12.0855 12.0855 13.2428 13.2428 13.2598 13.2598 15.5725 15.5725 k = 0.0000 0.0000 0.2189 ( 1773 PWs) bands (ev): -19.5345 -19.5345 -19.0964 -19.0964 -5.0252 -5.0252 -3.8679 -3.8679 -3.5960 -3.5960 -2.2260 -2.2260 5.6508 5.6508 6.0865 6.0865 8.9217 8.9217 12.0584 12.0584 12.1170 12.1170 13.2703 13.2703 13.2895 13.2895 15.6585 15.6585 k = 0.0000 0.0000 0.2372 ( 1773 PWs) bands (ev): -19.4972 -19.4972 -19.0590 -19.0590 -4.9934 -4.9934 -3.8334 -3.8334 -3.5659 -3.5659 -2.1918 -2.1918 5.3606 5.3606 5.7929 5.7929 8.9659 8.9659 12.0906 12.0906 12.1512 12.1512 13.3003 13.3003 13.3218 13.3218 15.7431 15.7431 k = 0.0000 0.0000 0.2554 ( 1779 PWs) bands (ev): -19.4569 -19.4569 -19.0185 -19.0185 -4.9593 -4.9593 -3.7963 -3.7963 -3.5335 -3.5335 -2.1550 -2.1550 5.0638 5.0638 5.4922 5.4922 9.0116 9.0116 12.1257 12.1257 12.1882 12.1882 13.3328 13.3328 13.3565 13.3565 15.8264 15.8264 k = 0.0000 0.0000 0.2737 ( 1779 PWs) bands (ev): -19.4137 -19.4137 -18.9752 -18.9752 -4.9227 -4.9227 -3.7565 -3.7565 -3.4991 -3.4991 -2.1156 -2.1156 4.7616 4.7616 5.1857 5.1857 9.0590 9.0590 12.1635 12.1635 12.2277 12.2277 13.3677 13.3677 13.3937 13.3937 15.9083 15.9083 k = 0.0000 0.0000 0.2919 ( 1773 PWs) bands (ev): -19.3674 -19.3674 -18.9288 -18.9288 -4.8838 -4.8838 -3.7141 -3.7141 -3.4626 -3.4626 -2.0735 -2.0735 4.4552 4.4552 4.8746 4.8746 9.1083 9.1083 12.2040 12.2040 12.2700 12.2700 13.4050 13.4050 13.4334 13.4334 15.9892 15.9892 k = 0.0000 0.0000 0.3101 ( 1785 PWs) bands (ev): -19.3182 -19.3182 -18.8794 -18.8794 -4.8427 -4.8427 -3.6691 -3.6691 -3.4241 -3.4241 -2.0289 -2.0289 4.1452 4.1452 4.5597 4.5597 9.1597 9.1597 12.2471 12.2471 12.3148 12.3148 13.4446 13.4446 13.4754 13.4754 16.0693 16.0693 k = 0.0000 0.0000 0.3284 ( 1773 PWs) bands (ev): -19.2660 -19.2660 -18.8271 -18.8271 -4.7994 -4.7994 -3.6214 -3.6214 -3.3838 -3.3838 -1.9818 -1.9818 3.8326 3.8326 4.2420 4.2420 9.2133 9.2133 12.2929 12.2929 12.3623 12.3623 13.4863 13.4863 13.5198 13.5198 16.1490 16.1490 k = 0.0000 0.0000 0.3466 ( 1767 PWs) bands (ev): -19.2108 -19.2108 -18.7718 -18.7718 -4.7539 -4.7539 -3.5712 -3.5712 -3.3418 -3.3418 -1.9321 -1.9321 3.5181 3.5181 3.9221 3.9221 9.2692 9.2692 12.3413 12.3413 12.4123 12.4123 13.5301 13.5301 13.5664 13.5664 16.2286 16.2286 k = 0.0000 0.0000 0.3649 ( 1767 PWs) bands (ev): -19.1527 -19.1527 -18.7135 -18.7135 -4.7063 -4.7063 -3.5185 -3.5185 -3.2982 -3.2982 -1.8799 -1.8799 3.2024 3.2024 3.6006 3.6006 9.3275 9.3275 12.3923 12.3923 12.4649 12.4649 13.5758 13.5758 13.6152 13.6152 16.3083 16.3083 k = 0.0000 0.0000 0.3831 ( 1767 PWs) bands (ev): -19.0916 -19.0916 -18.6522 -18.6522 -4.6568 -4.6568 -3.4632 -3.4632 -3.2531 -3.2531 -1.8253 -1.8253 2.8861 2.8861 3.2782 3.2782 9.3883 9.3883 12.4457 12.4457 12.5201 12.5201 13.6233 13.6233 13.6662 13.6662 16.3885 16.3885 k = 0.0000 0.0000 0.4014 ( 1761 PWs) bands (ev): -19.0276 -19.0276 -18.5880 -18.5880 -4.6053 -4.6053 -3.4055 -3.4055 -3.2069 -3.2069 -1.7682 -1.7682 2.5698 2.5698 2.9553 2.9553 9.4516 9.4516 12.5016 12.5016 12.5777 12.5777 13.6723 13.6723 13.7191 13.7191 16.4694 16.4694 k = 0.0000 0.0000 0.4196 ( 1761 PWs) bands (ev): -18.9607 -18.9607 -18.5208 -18.5208 -4.5521 -4.5521 -3.3453 -3.3453 -3.1597 -3.1597 -1.7087 -1.7087 2.2542 2.2542 2.6325 2.6325 9.5175 9.5175 12.5598 12.5598 12.6378 12.6378 13.7226 13.7226 13.7740 13.7740 16.5512 16.5512 k = 0.0000 0.0000 0.4378 ( 1761 PWs) bands (ev): -18.8908 -18.8908 -18.4507 -18.4507 -4.4972 -4.4972 -3.2827 -3.2827 -3.1119 -3.1119 -1.6470 -1.6470 1.9400 1.9400 2.3101 2.3101 9.5859 9.5859 12.6204 12.6204 12.7002 12.7002 13.7739 13.7739 13.8305 13.8305 16.6342 16.6342 k = 0.0000 0.0000 0.4561 ( 1761 PWs) bands (ev): -18.8180 -18.8180 -18.3776 -18.3776 -4.4407 -4.4407 -3.2177 -3.2177 -3.0639 -3.0639 -1.5829 -1.5829 1.6277 1.6277 1.9886 1.9886 9.6570 9.6570 12.6831 12.6831 12.7650 12.7650 13.8256 13.8256 13.8884 13.8884 16.7185 16.7185 k = 0.0000 0.0000 0.4743 ( 1755 PWs) bands (ev): -18.7422 -18.7422 -18.3016 -18.3016 -4.3830 -4.3830 -3.1504 -3.1504 -3.0162 -3.0162 -1.5165 -1.5165 1.3182 1.3182 1.6684 1.6684 9.7308 9.7308 12.7480 12.7480 12.8320 12.8320 13.8771 13.8771 13.9474 13.9474 16.8043 16.8043 k = 0.0000 0.0000 0.4926 ( 1749 PWs) bands (ev): -18.6636 -18.6636 -18.2226 -18.2226 -4.3241 -4.3241 -3.0808 -3.0808 -2.9695 -2.9695 -1.4480 -1.4480 1.0123 1.0123 1.3499 1.3499 9.8072 9.8072 12.8148 12.8148 12.9012 12.9012 13.9277 13.9277 14.0070 14.0070 16.8918 16.8918 k = 0.0000 0.0000 0.5108 ( 1743 PWs) bands (ev): -18.5820 -18.5820 -18.1408 -18.1408 -4.2644 -4.2644 -3.0090 -3.0090 -2.9249 -2.9249 -1.3773 -1.3773 0.7113 0.7113 1.0336 1.0336 9.8863 9.8863 12.8834 12.8834 12.9725 12.9725 13.9761 13.9761 14.0667 14.0667 16.8869 16.8869 k = 0.0000 0.0000 0.5291 ( 1743 PWs) bands (ev): -18.4976 -18.4976 -18.0560 -18.0560 -4.2042 -4.2042 -2.9350 -2.9350 -2.8835 -2.8835 -1.3046 -1.3046 0.4165 0.4165 0.7199 0.7199 9.9682 9.9682 12.9537 12.9537 13.0457 13.0457 14.0205 14.0205 14.1253 14.1253 16.6324 16.6324 k = 0.0000 0.0000 0.5473 ( 1742 PWs) bands (ev): -18.4103 -18.4103 -17.9684 -17.9684 -4.1440 -4.1440 -2.8589 -2.8589 -2.8473 -2.8473 -1.2298 -1.2298 0.1300 0.1300 0.4095 0.4095 10.0528 10.0528 13.0254 13.0254 13.1206 13.1206 14.0584 14.0584 14.1814 14.1814 16.3882 16.3882 k = 0.0000 0.0000 0.5655 ( 1736 PWs) bands (ev): -18.3202 -18.3202 -17.8779 -17.8779 -4.0842 -4.0842 -2.8187 -2.8187 -2.7808 -2.7808 -1.1530 -1.1530 -0.1456 -0.1456 0.1030 0.1030 10.1401 10.1401 13.0983 13.0983 13.1971 13.1971 14.0863 14.0863 14.2327 14.2327 16.1584 16.1584 k = 0.0000 0.0000 0.5838 ( 1754 PWs) bands (ev): -18.2273 -18.2273 -17.7845 -17.7845 -4.0257 -4.0257 -2.8015 -2.8015 -2.7006 -2.7006 -1.0744 -1.0744 -0.4065 -0.4065 -0.1988 -0.1988 10.2302 10.2302 13.1721 13.1721 13.2750 13.2750 14.0987 14.0987 14.2755 14.2755 15.9488 15.9488 k = 0.0000 0.0000 0.6020 ( 1754 PWs) bands (ev): -18.1315 -18.1315 -17.6883 -17.6883 -3.9694 -3.9694 -2.8007 -2.8007 -2.6185 -2.6185 -0.9940 -0.9940 -0.6476 -0.6476 -0.4948 -0.4948 10.3231 10.3231 13.2462 13.2462 13.3538 13.3538 14.0887 14.0887 14.3035 14.3035 15.7666 15.7666 k = 0.0000 0.0000 0.6203 ( 1754 PWs) bands (ev): -18.0329 -18.0329 -17.5892 -17.5892 -3.9168 -3.9168 -2.8231 -2.8231 -2.5346 -2.5346 -0.9118 -0.9118 -0.8620 -0.8620 -0.7835 -0.7835 10.4187 10.4187 13.3202 13.3202 13.4332 13.4332 14.0481 14.0481 14.3071 14.3071 15.6203 15.6203 k = 0.0000 0.0000 0.6385 ( 1754 PWs) bands (ev): -17.9316 -17.9316 -17.4874 -17.4874 -3.8699 -3.8699 -2.8762 -2.8762 -2.4489 -2.4489 -1.0628 -1.0628 -1.0422 -1.0422 -0.8281 -0.8281 10.5171 10.5171 13.3932 13.3932 13.5125 13.5125 13.9703 13.9703 14.2731 14.2731 15.4991 15.4991 k = 0.0000 0.0000 0.6568 ( 1742 PWs) bands (ev): -17.8276 -17.8276 -17.3827 -17.3827 -3.8314 -3.8314 -2.9668 -2.9668 -2.3616 -2.3616 -1.3299 -1.3299 -1.1813 -1.1813 -0.7427 -0.7427 10.6183 10.6183 13.4645 13.4645 13.5910 13.5910 13.8539 13.8539 14.1902 14.1902 15.3998 15.3998 k = 0.0000 0.0000 0.6750 ( 1754 PWs) bands (ev): -17.7209 -17.7209 -17.2754 -17.2754 -3.8056 -3.8056 -3.0978 -3.0978 -2.2726 -2.2726 -1.5806 -1.5806 -1.2765 -1.2765 -0.6560 -0.6560 10.7223 10.7223 13.5326 13.5326 13.6671 13.6671 13.7033 13.7033 14.0575 14.0575 15.3567 15.3567 k = 0.0000 0.0000 0.6932 ( 1754 PWs) bands (ev): -17.6115 -17.6115 -17.1653 -17.1653 -3.7981 -3.7981 -3.2662 -3.2662 -2.1822 -2.1822 -1.8091 -1.8091 -1.3306 -1.3306 -0.5679 -0.5679 10.8291 10.8291 13.5267 13.5267 13.5959 13.5959 13.7358 13.7358 13.8889 13.8889 15.3596 15.3596 k = 0.0000 0.0000 0.7115 ( 1754 PWs) bands (ev): -17.4995 -17.4995 -17.0526 -17.0526 -3.8168 -3.8168 -3.4654 -3.4654 -2.0905 -2.0905 -2.0078 -2.0078 -1.3503 -1.3503 -0.4787 -0.4787 10.9386 10.9386 13.3321 13.3321 13.6521 13.6521 13.6709 13.6709 13.8228 13.8228 15.3945 15.3945 k = 0.0000 0.0000 0.7297 ( 1766 PWs) bands (ev): -17.3849 -17.3849 -16.9373 -16.9373 -3.8698 -3.8698 -3.6874 -3.6874 -2.1684 -2.1684 -1.9975 -1.9975 -1.3437 -1.3437 -0.3883 -0.3883 11.0509 11.0509 13.1261 13.1261 13.4610 13.4610 13.6983 13.6983 13.8786 13.8786 15.4505 15.4505 k = 0.0000 0.0000 0.7480 ( 1754 PWs) bands (ev): -17.2678 -17.2678 -16.8194 -16.8194 -3.9637 -3.9637 -3.9251 -3.9251 -2.2844 -2.2844 -1.9034 -1.9034 -1.3177 -1.3177 -0.2971 -0.2971 11.1660 11.1660 12.9136 12.9136 13.2384 13.2384 13.7305 13.7305 13.9277 13.9277 15.5197 15.5197 k = 0.0000 0.0000 0.7662 ( 1754 PWs) bands (ev): -17.1483 -17.1483 -16.6990 -16.6990 -4.1732 -4.1732 -4.0992 -4.0992 -2.3549 -2.3549 -1.8083 -1.8083 -1.2776 -1.2776 -0.2050 -0.2050 11.2839 11.2839 12.6977 12.6977 13.0114 13.0114 13.7443 13.7443 13.9610 13.9610 15.5955 15.5955 k = 0.0000 0.0000 0.7845 ( 1754 PWs) bands (ev): -17.0264 -17.0264 -16.5762 -16.5762 -4.4280 -4.4280 -4.2712 -4.2712 -2.3852 -2.3852 -1.7124 -1.7124 -1.2274 -1.2274 -0.1123 -0.1123 11.4045 11.4045 12.4809 12.4809 12.7832 12.7832 13.7352 13.7352 13.9719 13.9719 15.6553 15.6553 k = 0.0000 0.0000 0.8027 ( 1754 PWs) bands (ev): -16.9022 -16.9022 -16.4510 -16.4510 -4.6865 -4.6865 -4.4711 -4.4711 -2.3840 -2.3840 -1.6158 -1.6158 -1.1699 -1.1699 -0.0191 -0.0191 11.5279 11.5279 12.2648 12.2648 12.5559 12.5559 13.6998 13.6998 13.9541 13.9541 15.6159 15.6169 k = 0.0000 0.0000 0.8210 ( 1754 PWs) bands (ev): -16.7758 -16.7758 -16.3235 -16.3235 -4.9469 -4.9469 -4.6904 -4.6904 -2.3597 -2.3597 -1.5188 -1.5188 -1.1070 -1.1070 0.0743 0.0743 11.6540 11.6540 12.0506 12.0506 12.3306 12.3306 13.6370 13.6370 13.9035 13.9035 15.5627 15.5628 k = 0.0000 0.0000 0.8392 ( 1766 PWs) bands (ev): -16.6474 -16.6474 -16.1939 -16.1939 -5.2076 -5.2076 -4.9223 -4.9223 -2.3192 -2.3192 -1.4216 -1.4216 -1.0402 -1.0402 0.1678 0.1678 11.7827 11.7827 11.8393 11.8393 12.1084 12.1084 13.5487 13.5487 13.8205 13.8205 15.5434 15.5434 k = 0.0000 0.0000 0.8574 ( 1766 PWs) bands (ev): -16.5170 -16.5170 -16.0622 -16.0622 -5.4677 -5.4677 -5.1620 -5.1620 -2.2673 -2.2673 -1.3242 -1.3242 -0.9706 -0.9706 0.2612 0.2612 11.6317 11.6317 11.8899 11.8899 11.9141 11.9141 13.4392 13.4392 13.7096 13.7096 15.5580 15.5580 k = 0.0000 0.0000 0.8757 ( 1790 PWs) bands (ev): -16.3847 -16.3847 -15.9286 -15.9286 -5.7262 -5.7262 -5.4059 -5.4059 -2.2077 -2.2077 -1.2270 -1.2270 -0.8992 -0.8992 0.3542 0.3542 11.4282 11.4282 11.6758 11.6758 12.0480 12.0480 13.3139 13.3139 13.5776 13.5776 15.6007 15.6007 k = 0.0000 0.0000 0.8939 ( 1790 PWs) bands (ev): -16.2508 -16.2508 -15.7932 -15.7932 -5.9825 -5.9825 -5.6518 -5.6518 -2.1426 -2.1426 -1.1303 -1.1303 -0.8267 -0.8267 0.4467 0.4467 11.2296 11.2296 11.4666 11.4666 12.1840 12.1840 13.1780 13.1780 13.4315 13.4315 15.6651 15.6651 k = 0.0000 0.0000 0.9122 ( 1790 PWs) bands (ev): -16.1155 -16.1155 -15.6562 -15.6562 -6.2358 -6.2358 -5.8977 -5.8977 -2.0740 -2.0740 -1.0341 -1.0341 -0.7536 -0.7536 0.5382 0.5382 11.0363 11.0363 11.2628 11.2628 12.3216 12.3216 13.0366 13.0366 13.2768 13.2768 15.7458 15.7458 k = 0.0000 0.0000 0.9304 ( 1790 PWs) bands (ev): -15.9788 -15.9788 -15.5179 -15.5179 -6.4857 -6.4857 -6.1424 -6.1424 -2.0031 -2.0031 -0.9390 -0.9390 -0.6805 -0.6805 0.6287 0.6287 10.8488 10.8488 11.0647 11.0647 12.4582 12.4582 12.8955 12.8955 13.1179 13.1179 15.8386 15.8386 k = 0.0000 0.0000 0.9487 ( 1790 PWs) bands (ev): -15.8412 -15.8412 -15.3784 -15.3784 -6.7317 -6.7317 -6.3849 -6.3849 -1.9311 -1.9311 -0.8451 -0.8451 -0.6079 -0.6079 0.7177 0.7177 10.6674 10.6674 10.8728 10.8728 12.5764 12.5764 12.7748 12.7748 12.9580 12.9580 15.9405 15.9405 k = 0.0000 0.0000 0.9669 ( 1778 PWs) bands (ev): -15.7029 -15.7029 -15.2381 -15.2381 -6.9732 -6.9732 -6.6242 -6.6242 -1.8587 -1.8587 -0.7528 -0.7528 -0.5362 -0.5362 0.8050 0.8050 10.4926 10.4926 10.6875 10.6875 12.5532 12.5532 12.7993 12.7993 12.7997 12.7997 16.0492 16.0492 k = 0.0000 0.0000 0.9851 ( 1778 PWs) bands (ev): -15.5642 -15.5642 -15.0972 -15.0972 -7.2098 -7.2098 -6.8596 -6.8596 -1.7867 -1.7867 -0.6624 -0.6624 -0.4659 -0.4659 0.8902 0.8902 10.3248 10.3248 10.5092 10.5092 12.4269 12.4269 12.6437 12.6437 12.9332 12.9332 16.1631 16.1631 k = 0.0000 0.0000 1.0034 ( 1778 PWs) bands (ev): -15.4257 -15.4257 -14.9563 -14.9563 -7.4408 -7.4408 -7.0902 -7.0902 -1.7157 -1.7157 -0.5743 -0.5743 -0.3973 -0.3973 0.9730 0.9730 10.1643 10.1643 10.3384 10.3384 12.2922 12.2922 12.4925 12.4925 13.0818 13.0818 16.2809 16.2809 k = 0.0000 0.0000 1.0216 ( 1778 PWs) bands (ev): -15.2876 -15.2876 -14.8157 -14.8157 -7.6657 -7.6657 -7.3155 -7.3155 -1.6463 -1.6463 -0.4889 -0.4889 -0.3309 -0.3309 1.0531 1.0531 10.0117 10.0117 10.1755 10.1755 12.1601 12.1601 12.3468 12.3468 13.2358 13.2358 16.4014 16.4014 k = 0.0000 0.0000 1.0399 ( 1778 PWs) bands (ev): -15.1508 -15.1508 -14.6761 -14.6761 -7.8838 -7.8838 -7.5346 -7.5346 -1.5791 -1.5791 -0.4066 -0.4066 -0.2671 -0.2671 1.1300 1.1300 9.8673 9.8673 10.0209 10.0209 12.0330 12.0330 12.2076 12.2076 13.3932 13.3932 16.5235 16.5235 k = 0.0000 0.0000 1.0581 ( 1778 PWs) bands (ev): -15.0157 -15.0157 -14.5381 -14.5381 -8.0944 -8.0944 -7.7467 -7.7467 -1.5145 -1.5145 -0.3279 -0.3279 -0.2061 -0.2061 1.2034 1.2034 9.7314 9.7314 9.8751 9.8751 11.9124 11.9124 12.0755 12.0755 13.5536 13.5536 16.6470 16.6474 k = 0.0000 0.0000 1.0764 ( 1778 PWs) bands (ev): -14.8832 -14.8832 -14.4025 -14.4025 -8.2965 -8.2965 -7.9508 -7.9508 -1.4530 -1.4530 -0.2531 -0.2531 -0.1484 -0.1484 1.2729 1.2729 9.6046 9.6046 9.7386 9.7386 11.7989 11.7989 11.9513 11.9513 13.7164 13.7164 16.7686 16.7690 k = 0.0000 0.0000 1.0946 ( 1778 PWs) bands (ev): -14.7543 -14.7543 -14.2702 -14.2702 -8.4891 -8.4891 -8.1459 -8.1459 -1.3951 -1.3951 -0.1828 -0.1828 -0.0944 -0.0944 1.3381 1.3381 9.4871 9.4871 9.6118 9.6118 11.6934 11.6934 11.8357 11.8357 13.8815 13.8815 16.8876 16.8876 k = 0.0000 0.0000 1.1128 ( 1778 PWs) bands (ev): -14.6301 -14.6301 -14.1424 -14.1424 -8.6712 -8.6712 -8.3307 -8.3307 -1.3412 -1.3412 -0.1173 -0.1173 -0.0442 -0.0442 1.3986 1.3986 9.3794 9.3794 9.4952 9.4952 11.5962 11.5962 11.7292 11.7292 14.0486 14.0486 17.0035 17.0035 k = 0.0000 0.0000 1.1311 ( 1778 PWs) bands (ev): -14.5118 -14.5118 -14.0204 -14.0204 -8.8413 -8.8413 -8.5039 -8.5039 -1.2917 -1.2917 -0.0572 -0.0572 0.0016 0.0016 1.4540 1.4540 9.2819 9.2819 9.3894 9.3894 11.5081 11.5081 11.6324 11.6324 14.2172 14.2172 17.1125 17.1125 k = 0.0000 0.0000 1.1493 ( 1784 PWs) bands (ev): -14.4010 -14.4010 -13.9057 -13.9057 -8.9980 -8.9980 -8.6639 -8.6639 -1.2470 -1.2470 -0.0029 -0.0029 0.0428 0.0428 1.5039 1.5039 9.1949 9.1949 9.2947 9.2947 11.4292 11.4292 11.5457 11.5457 14.3868 14.3868 17.1959 17.1959 k = 0.0000 0.0000 1.1676 ( 1790 PWs) bands (ev): -14.2993 -14.2993 -13.8001 -13.8001 -9.1395 -9.1395 -8.8089 -8.8089 -1.2074 -1.2074 0.0452 0.0452 0.0792 0.0792 1.5480 1.5480 9.1187 9.1187 9.2115 9.2115 11.3601 11.3601 11.4696 11.4696 14.5566 14.5566 17.1082 17.1082 k = 0.0000 0.0000 1.1858 ( 1766 PWs) bands (ev): -14.2084 -14.2084 -13.7055 -13.7055 -9.2640 -9.2640 -8.9368 -8.9368 -1.1734 -1.1734 0.0866 0.0866 0.1104 0.1104 1.5859 1.5859 9.0537 9.0537 9.1405 9.1405 11.3011 11.3011 11.4045 11.4045 14.7250 14.7250 16.9224 16.9224 k = 0.0000 0.0000 1.2041 ( 1766 PWs) bands (ev): -14.1304 -14.1304 -13.6241 -13.6241 -9.3696 -9.3696 -9.0456 -9.0456 -1.1451 -1.1451 0.1211 0.1211 0.1363 0.1363 1.6174 1.6174 9.0000 9.0000 9.0817 9.0817 11.2524 11.2524 11.3507 11.3507 14.8897 14.8897 16.7364 16.7364 k = 0.0000 0.0000 1.2223 ( 1754 PWs) bands (ev): -14.0672 -14.0672 -13.5578 -13.5578 -9.4543 -9.4543 -9.1331 -9.1331 -1.1228 -1.1228 0.1482 0.1482 0.1566 0.1566 1.6421 1.6421 8.9581 8.9581 9.0357 9.0357 11.2143 11.2143 11.3086 11.3086 15.0459 15.0459 16.5624 16.5624 k = 0.0000 0.0000 1.2406 ( 1754 PWs) bands (ev): -14.0206 -14.0206 -13.5089 -13.5089 -9.5163 -9.5163 -9.1973 -9.1973 -1.1068 -1.1068 0.1678 0.1678 0.1712 0.1712 1.6600 1.6600 8.9280 8.9280 9.0026 9.0026 11.1870 11.1870 11.2783 11.2783 15.1844 15.1844 16.4108 16.4108 k = 0.0000 0.0000 1.2588 ( 1748 PWs) bands (ev): -13.9919 -13.9919 -13.4787 -13.4787 -9.5541 -9.5541 -9.2366 -9.2366 -1.0971 -1.0971 0.1796 0.1796 0.1801 0.1801 1.6707 1.6707 8.9099 8.9099 8.9827 8.9827 11.1705 11.1705 11.2600 11.2600 15.2872 15.2872 16.3001 16.3001 k = 0.0000 0.0000 1.2770 ( 1748 PWs) bands (ev): -13.9823 -13.9823 -13.4686 -13.4686 -9.5668 -9.5668 -9.2498 -9.2498 -1.0939 -1.0939 0.1830 0.1830 0.1836 0.1836 1.6743 1.6743 8.9038 8.9038 8.9761 8.9761 11.1650 11.1650 11.2540 11.2540 15.3269 15.3269 16.2578 16.2578 k = 0.0000 0.0000 1.2770 ( 1748 PWs) bands (ev): -13.9823 -13.9823 -13.4686 -13.4686 -9.5668 -9.5668 -9.2498 -9.2498 -1.0939 -1.0939 0.1830 0.1830 0.1836 0.1836 1.6743 1.6743 8.9038 8.9038 8.9761 8.9761 11.1650 11.1650 11.2540 11.2540 15.3269 15.3269 16.2578 16.2578 k = 0.0156 0.0090 1.2770 ( 1748 PWs) bands (ev): -13.9820 -13.9820 -13.4689 -13.4689 -9.5667 -9.5667 -9.2500 -9.2500 -1.0935 -1.0935 0.1541 0.1541 0.2127 0.2127 1.6739 1.6739 8.9038 8.9038 8.9760 8.9760 11.1649 11.1649 11.2537 11.2537 15.3315 15.3315 16.2603 16.2603 k = 0.0312 0.0180 1.2770 ( 1760 PWs) bands (ev): -13.9813 -13.9813 -13.4698 -13.4698 -9.5662 -9.5662 -9.2505 -9.2505 -1.0923 -1.0923 0.1251 0.1251 0.2423 0.2423 1.6726 1.6726 8.9037 8.9037 8.9758 8.9758 11.1641 11.1641 11.2534 11.2534 15.3453 15.3453 16.2677 16.2677 k = 0.0469 0.0271 1.2770 ( 1756 PWs) bands (ev): -13.9800 -13.9800 -13.4712 -13.4712 -9.5654 -9.5654 -9.2514 -9.2514 -1.0902 -1.0902 0.0963 0.0963 0.2720 0.2720 1.6704 1.6704 8.9033 8.9033 8.9757 8.9757 11.1616 11.1616 11.2540 11.2540 15.3682 15.3682 16.2802 16.2802 k = 0.0625 0.0361 1.2770 ( 1760 PWs) bands (ev): -13.9782 -13.9782 -13.4733 -13.4733 -9.5642 -9.5642 -9.2526 -9.2526 -1.0874 -1.0874 0.0679 0.0679 0.3018 0.3018 1.6673 1.6673 8.9022 8.9022 8.9760 8.9760 11.1563 11.1563 11.2569 11.2569 15.4001 15.4001 16.2975 16.2975 k = 0.0781 0.0451 1.2770 ( 1760 PWs) bands (ev): -13.9759 -13.9759 -13.4759 -13.4759 -9.5628 -9.5628 -9.2542 -9.2542 -1.0838 -1.0838 0.0398 0.0398 0.3316 0.3316 1.6634 1.6634 8.9003 8.9003 8.9771 8.9771 11.1472 11.1472 11.2632 11.2632 15.4406 15.4406 16.3195 16.3195 k = 0.0938 0.0541 1.2770 ( 1756 PWs) bands (ev): -13.9731 -13.9731 -13.4791 -13.4791 -9.5610 -9.5610 -9.2561 -9.2561 -1.0795 -1.0795 0.0120 0.0120 0.3614 0.3614 1.6587 1.6587 8.8970 8.8970 8.9795 8.9795 11.1339 11.1339 11.2731 11.2731 15.4895 15.4895 16.3461 16.3461 k = 0.1094 0.0631 1.2770 ( 1760 PWs) bands (ev): -13.9699 -13.9699 -13.4829 -13.4829 -9.5589 -9.5589 -9.2583 -9.2583 -1.0744 -1.0744 -0.0154 -0.0154 0.3912 0.3912 1.6531 1.6531 8.8923 8.8923 8.9833 8.9833 11.1168 11.1168 11.2866 11.2866 15.5464 15.5464 16.3771 16.3771 k = 0.1250 0.0722 1.2770 ( 1756 PWs) bands (ev): -13.9661 -13.9661 -13.4872 -13.4872 -9.5565 -9.5565 -9.2608 -9.2608 -1.0686 -1.0686 -0.0423 -0.0423 0.4208 0.4208 1.6468 1.6468 8.8861 8.8861 8.9886 8.9886 11.0965 11.0965 11.3032 11.3032 15.6110 15.6110 16.4118 16.4118 k = 0.1406 0.0812 1.2770 ( 1760 PWs) bands (ev): -13.9619 -13.9619 -13.4920 -13.4920 -9.5538 -9.5538 -9.2637 -9.2637 -1.0621 -1.0621 -0.0688 -0.0688 0.4504 0.4504 1.6397 1.6397 8.8786 8.8786 8.9953 8.9953 11.0736 11.0736 11.3223 11.3223 15.6828 15.6828 16.4497 16.4497 k = 0.1562 0.0902 1.2770 ( 1760 PWs) bands (ev): -13.9573 -13.9573 -13.4973 -13.4973 -9.5508 -9.5508 -9.2668 -9.2668 -1.0550 -1.0550 -0.0948 -0.0948 0.4797 0.4797 1.6319 1.6319 8.8699 8.8699 9.0033 9.0033 11.0487 11.0487 11.3436 11.3436 15.7615 15.7615 16.4891 16.4891 k = 0.1719 0.0992 1.2770 ( 1762 PWs) bands (ev): -13.9522 -13.9522 -13.5031 -13.5031 -9.5476 -9.5476 -9.2703 -9.2703 -1.0473 -1.0473 -0.1203 -0.1203 0.5088 0.5088 1.6233 1.6233 8.8603 8.8603 9.0125 9.0125 11.0223 11.0223 11.3667 11.3667 15.8466 15.8466 16.5260 16.5260 k = 0.1875 0.1083 1.2770 ( 1766 PWs) bands (ev): -13.9467 -13.9467 -13.5093 -13.5093 -9.5440 -9.5440 -9.2740 -9.2740 -1.0390 -1.0390 -0.1453 -0.1453 0.5377 0.5377 1.6142 1.6142 8.8500 8.8500 9.0227 9.0227 10.9947 10.9947 11.3912 11.3912 15.9376 15.9376 16.5495 16.5495 k = 0.2031 0.1173 1.2770 ( 1770 PWs) bands (ev): -13.9407 -13.9407 -13.5160 -13.5160 -9.5403 -9.5403 -9.2780 -9.2780 -1.0302 -1.0302 -0.1697 -0.1697 0.5662 0.5662 1.6044 1.6044 8.8392 8.8392 9.0337 9.0337 10.9663 10.9663 11.4168 11.4168 16.0341 16.0341 16.5376 16.5376 k = 0.2188 0.1263 1.2770 ( 1770 PWs) bands (ev): -13.9345 -13.9345 -13.5231 -13.5231 -9.5362 -9.5362 -9.2822 -9.2822 -1.0210 -1.0210 -0.1935 -0.1935 0.5943 0.5943 1.5940 1.5940 8.8280 8.8280 9.0453 9.0453 10.9376 10.9376 11.4434 11.4434 16.1356 16.1356 16.4873 16.4873 k = 0.2344 0.1353 1.2770 ( 1766 PWs) bands (ev): -13.9278 -13.9278 -13.5305 -13.5305 -9.5320 -9.5320 -9.2867 -9.2867 -1.0113 -1.0113 -0.2166 -0.2166 0.6219 0.6219 1.5832 1.5832 8.8166 8.8166 9.0574 9.0574 10.9087 10.9087 11.4704 11.4704 16.2413 16.2413 16.4205 16.4205 k = 0.2500 0.1443 1.2770 ( 1764 PWs) bands (ev): -13.9208 -13.9208 -13.5383 -13.5383 -9.5276 -9.5276 -9.2913 -9.2913 -1.0013 -1.0013 -0.2391 -0.2391 0.6490 0.6490 1.5719 1.5719 8.8052 8.8052 9.0699 9.0699 10.8800 10.8800 11.4977 11.4977 16.3383 16.3383 16.3622 16.3622 k = 0.2656 0.1534 1.2770 ( 1764 PWs) bands (ev): -13.9135 -13.9135 -13.5464 -13.5464 -9.5229 -9.5229 -9.2962 -9.2962 -0.9911 -0.9911 -0.2609 -0.2609 0.6756 0.6756 1.5602 1.5602 8.7939 8.7939 9.0826 9.0826 10.8518 10.8518 11.5251 11.5251 16.2766 16.2766 16.4662 16.4662 k = 0.2812 0.1624 1.2770 ( 1764 PWs) bands (ev): -13.9060 -13.9060 -13.5547 -13.5547 -9.5182 -9.5182 -9.3012 -9.3012 -0.9807 -0.9807 -0.2819 -0.2819 0.7014 0.7014 1.5482 1.5482 8.7828 8.7828 9.0954 9.0954 10.8243 10.8243 11.5522 11.5522 16.2082 16.2082 16.5792 16.5792 k = 0.2969 0.1714 1.2770 ( 1764 PWs) bands (ev): -13.8983 -13.8983 -13.5632 -13.5632 -9.5133 -9.5133 -9.3063 -9.3063 -0.9701 -0.9701 -0.3021 -0.3021 0.7265 0.7265 1.5361 1.5361 8.7720 8.7720 9.1081 9.1081 10.7978 10.7978 11.5787 11.5787 16.1426 16.1426 16.5857 16.5857 k = 0.3125 0.1804 1.2770 ( 1766 PWs) bands (ev): -13.8904 -13.8904 -13.5719 -13.5719 -9.5082 -9.5082 -9.3115 -9.3115 -0.9595 -0.9595 -0.3215 -0.3215 0.7508 0.7508 1.5238 1.5238 8.7617 8.7617 9.1207 9.1207 10.7724 10.7724 11.6045 11.6045 16.0808 16.0808 16.5431 16.5431 k = 0.3281 0.1894 1.2770 ( 1762 PWs) bands (ev): -13.8823 -13.8823 -13.5806 -13.5806 -9.5032 -9.5032 -9.3168 -9.3168 -0.9491 -0.9491 -0.3399 -0.3399 0.7740 0.7740 1.5115 1.5115 8.7519 8.7519 9.1329 9.1329 10.7483 10.7483 11.6293 11.6293 16.0230 16.0230 16.5026 16.5026 k = 0.3438 0.1985 1.2770 ( 1766 PWs) bands (ev): -13.8743 -13.8743 -13.5894 -13.5894 -9.4981 -9.4981 -9.3220 -9.3220 -0.9387 -0.9387 -0.3573 -0.3573 0.7962 0.7962 1.4993 1.4993 8.7427 8.7427 9.1446 9.1446 10.7257 10.7257 11.6527 11.6527 15.9695 15.9695 16.4650 16.4650 k = 0.3594 0.2075 1.2770 ( 1770 PWs) bands (ev): -13.8663 -13.8663 -13.5980 -13.5980 -9.4930 -9.4930 -9.3273 -9.3273 -0.9287 -0.9287 -0.3737 -0.3737 0.8172 0.8172 1.4874 1.4874 8.7341 8.7341 9.1556 9.1556 10.7047 10.7047 11.6748 11.6748 15.9207 15.9207 16.4308 16.4308 k = 0.3750 0.2165 1.2770 ( 1766 PWs) bands (ev): -13.8584 -13.8584 -13.6065 -13.6065 -9.4880 -9.4880 -9.3324 -9.3324 -0.9192 -0.9192 -0.3888 -0.3888 0.8367 0.8367 1.4759 1.4759 8.7263 8.7263 9.1660 9.1660 10.6856 10.6856 11.6951 11.6951 15.8765 15.8765 16.3998 16.3998 k = 0.3906 0.2255 1.2770 ( 1770 PWs) bands (ev): -13.8508 -13.8508 -13.6147 -13.6147 -9.4832 -9.4832 -9.3374 -9.3374 -0.9102 -0.9102 -0.4027 -0.4027 0.8547 0.8547 1.4650 1.4650 8.7193 8.7193 9.1754 9.1754 10.6683 10.6683 11.7135 11.7135 15.8373 15.8373 16.3724 16.3724 k = 0.4062 0.2345 1.2770 ( 1770 PWs) bands (ev): -13.8435 -13.8435 -13.6224 -13.6224 -9.4787 -9.4787 -9.3420 -9.3420 -0.9019 -0.9019 -0.4151 -0.4151 0.8710 0.8710 1.4549 1.4549 8.7131 8.7131 9.1839 9.1839 10.6532 10.6532 11.7299 11.7299 15.8030 15.8030 16.3484 16.3484 k = 0.4219 0.2436 1.2770 ( 1770 PWs) bands (ev): -13.8368 -13.8368 -13.6295 -13.6295 -9.4745 -9.4745 -9.3464 -9.3464 -0.8945 -0.8945 -0.4259 -0.4259 0.8853 0.8853 1.4458 1.4458 8.7078 8.7078 9.1913 9.1913 10.6402 10.6402 11.7440 11.7440 15.7739 15.7739 16.3281 16.3281 k = 0.4375 0.2526 1.2770 ( 1774 PWs) bands (ev): -13.8309 -13.8309 -13.6358 -13.6358 -9.4708 -9.4708 -9.3502 -9.3502 -0.8882 -0.8882 -0.4350 -0.4350 0.8973 0.8973 1.4380 1.4380 8.7034 8.7034 9.1975 9.1975 10.6294 10.6294 11.7557 11.7557 15.7499 15.7499 16.3113 16.3113 k = 0.4531 0.2616 1.2770 ( 1774 PWs) bands (ev): -13.8260 -13.8260 -13.6410 -13.6410 -9.4677 -9.4677 -9.3533 -9.3533 -0.8831 -0.8831 -0.4423 -0.4423 0.9070 0.9070 1.4316 1.4316 8.7000 8.7000 9.2024 9.2024 10.6210 10.6210 11.7650 11.7650 15.7312 15.7312 16.2983 16.2983 k = 0.4688 0.2706 1.2770 ( 1774 PWs) bands (ev): -13.8222 -13.8222 -13.6449 -13.6449 -9.4653 -9.4653 -9.3557 -9.3557 -0.8793 -0.8793 -0.4476 -0.4476 0.9141 0.9141 1.4269 1.4269 8.6975 8.6975 9.2059 9.2059 10.6149 10.6149 11.7717 11.7717 15.7179 15.7179 16.2889 16.2889 k = 0.4844 0.2797 1.2770 ( 1774 PWs) bands (ev): -13.8199 -13.8199 -13.6474 -13.6474 -9.4638 -9.4638 -9.3573 -9.3573 -0.8770 -0.8770 -0.4508 -0.4508 0.9184 0.9184 1.4240 1.4240 8.6960 8.6960 9.2080 9.2080 10.6112 10.6112 11.7757 11.7757 15.7098 15.7098 16.2833 16.2833 k = 0.5000 0.2887 1.2770 ( 1772 PWs) bands (ev): -13.8191 -13.8191 -13.6482 -13.6482 -9.4633 -9.4633 -9.3578 -9.3578 -0.8763 -0.8763 -0.4519 -0.4519 0.9199 0.9199 1.4230 1.4230 8.6955 8.6955 9.2087 9.2087 10.6100 10.6100 11.7771 11.7771 15.7071 15.7071 16.2814 16.2814 k = 0.5000 0.2887 1.2770 ( 1772 PWs) bands (ev): -13.8191 -13.8191 -13.6482 -13.6482 -9.4633 -9.4633 -9.3578 -9.3578 -0.8763 -0.8763 -0.4519 -0.4519 0.9199 0.9199 1.4230 1.4230 8.6955 8.6955 9.2087 9.2087 10.6100 10.6100 11.7771 11.7771 15.7071 15.7071 16.2814 16.2814 k = 0.4912 0.3039 1.2770 ( 1772 PWs) bands (ev): -13.8188 -13.8188 -13.6485 -13.6485 -9.4632 -9.4632 -9.3579 -9.3579 -0.8762 -0.8762 -0.4519 -0.4519 0.9199 0.9199 1.4230 1.4230 8.6938 8.6938 9.2121 9.2121 10.6066 10.6066 11.7792 11.7792 15.7016 15.7016 16.2884 16.2884 k = 0.4825 0.3191 1.2770 ( 1776 PWs) bands (ev): -13.8181 -13.8181 -13.6493 -13.6493 -9.4627 -9.4627 -9.3584 -9.3584 -0.8762 -0.8762 -0.4517 -0.4517 0.9198 0.9198 1.4230 1.4230 8.6887 8.6887 9.2219 9.2219 10.5964 10.5964 11.7856 11.7856 15.6859 15.6859 16.3084 16.3084 k = 0.4737 0.3343 1.2770 ( 1776 PWs) bands (ev): -13.8168 -13.8168 -13.6506 -13.6506 -9.4619 -9.4619 -9.3592 -9.3592 -0.8761 -0.8761 -0.4514 -0.4514 0.9198 0.9198 1.4229 1.4229 8.6806 8.6806 9.2378 9.2378 10.5799 10.5799 11.7958 11.7958 15.6620 15.6620 16.3395 16.3395 k = 0.4649 0.3494 1.2770 ( 1780 PWs) bands (ev): -13.8151 -13.8151 -13.6524 -13.6524 -9.4608 -9.4608 -9.3603 -9.3603 -0.8760 -0.8760 -0.4510 -0.4510 0.9198 0.9198 1.4229 1.4229 8.6702 8.6702 9.2591 9.2591 10.5574 10.5574 11.8094 11.8094 15.6325 15.6325 16.3790 16.3790 k = 0.4561 0.3646 1.2770 ( 1780 PWs) bands (ev): -13.8128 -13.8128 -13.6548 -13.6548 -9.4594 -9.4594 -9.3618 -9.3618 -0.8759 -0.8759 -0.4506 -0.4506 0.9198 0.9198 1.4227 1.4227 8.6582 8.6582 9.2851 9.2851 10.5296 10.5296 11.8257 11.8257 15.5995 15.5995 16.4247 16.4247 k = 0.4474 0.3798 1.2770 ( 1780 PWs) bands (ev): -13.8101 -13.8101 -13.6577 -13.6577 -9.4577 -9.4577 -9.3635 -9.3635 -0.8757 -0.8757 -0.4501 -0.4501 0.9198 0.9198 1.4226 1.4226 8.6451 8.6451 9.3152 9.3152 10.4972 10.4972 11.8441 11.8441 15.5648 15.5648 16.4749 16.4749 k = 0.4386 0.3950 1.2770 ( 1788 PWs) bands (ev): -13.8068 -13.8068 -13.6611 -13.6611 -9.4557 -9.4557 -9.3656 -9.3656 -0.8754 -0.8754 -0.4497 -0.4497 0.9200 0.9200 1.4223 1.4223 8.6316 8.6316 9.3487 9.3487 10.4608 10.4608 11.8639 11.8639 15.5296 15.5296 16.5281 16.5281 k = 0.4298 0.4102 1.2770 ( 1792 PWs) bands (ev): -13.8031 -13.8031 -13.6649 -13.6649 -9.4533 -9.4533 -9.3680 -9.3680 -0.8751 -0.8751 -0.4493 -0.4493 0.9202 0.9202 1.4219 1.4219 8.6180 8.6180 9.3851 9.3851 10.4210 10.4210 11.8845 11.8845 15.4951 15.4951 16.5832 16.5832 k = 0.4211 0.4254 1.2770 ( 1788 PWs) bands (ev): -13.7989 -13.7989 -13.6693 -13.6693 -9.4507 -9.4507 -9.3706 -9.3706 -0.8746 -0.8746 -0.4489 -0.4489 0.9207 0.9207 1.4215 1.4215 8.6049 8.6049 9.4240 9.4240 10.3784 10.3784 11.9052 11.9052 15.4619 15.4619 16.6395 16.6395 k = 0.4123 0.4406 1.2770 ( 1788 PWs) bands (ev): -13.7943 -13.7943 -13.6741 -13.6741 -9.4478 -9.4478 -9.3735 -9.3735 -0.8741 -0.8741 -0.4487 -0.4487 0.9212 0.9212 1.4209 1.4209 8.5923 8.5923 9.4649 9.4649 10.3336 10.3336 11.9255 11.9255 15.4305 15.4305 16.6962 16.6963 k = 0.4035 0.4558 1.2770 ( 1784 PWs) bands (ev): -13.7892 -13.7892 -13.6793 -13.6793 -9.4447 -9.4447 -9.3767 -9.3767 -0.8735 -0.8735 -0.4487 -0.4487 0.9220 0.9220 1.4203 1.4203 8.5807 8.5807 9.5075 9.5075 10.2871 10.2871 11.9449 11.9449 15.4014 15.4014 16.7529 16.7529 k = 0.3947 0.4710 1.2770 ( 1780 PWs) bands (ev): -13.7837 -13.7837 -13.6849 -13.6849 -9.4413 -9.4413 -9.3802 -9.3802 -0.8729 -0.8729 -0.4487 -0.4487 0.9228 0.9228 1.4195 1.4195 8.5701 8.5701 9.5516 9.5516 10.2392 10.2392 11.9630 11.9630 15.3750 15.3750 16.8090 16.8090 k = 0.3860 0.4862 1.2770 ( 1784 PWs) bands (ev): -13.7778 -13.7778 -13.6910 -13.6910 -9.4376 -9.4376 -9.3839 -9.3839 -0.8721 -0.8721 -0.4489 -0.4489 0.9239 0.9239 1.4187 1.4187 8.5608 8.5608 9.5968 9.5968 10.1905 10.1905 11.9794 11.9794 15.3515 15.3515 16.8642 16.8642 k = 0.3772 0.5014 1.2770 ( 1780 PWs) bands (ev): -13.7715 -13.7715 -13.6974 -13.6974 -9.4337 -9.4337 -9.3879 -9.3879 -0.8714 -0.8714 -0.4492 -0.4492 0.9250 0.9250 1.4178 1.4178 8.5527 8.5527 9.6429 9.6429 10.1412 10.1412 11.9938 11.9938 15.3312 15.3312 16.9179 16.9179 k = 0.3684 0.5166 1.2770 ( 1780 PWs) bands (ev): -13.7649 -13.7649 -13.7042 -13.7042 -9.4295 -9.4295 -9.3921 -9.3921 -0.8707 -0.8707 -0.4497 -0.4497 0.9261 0.9261 1.4169 1.4169 8.5461 8.5461 9.6897 9.6897 10.0917 10.0917 12.0059 12.0059 15.3142 15.3142 16.9697 16.9697 k = 0.3596 0.5318 1.2770 ( 1772 PWs) bands (ev): -13.7578 -13.7578 -13.7114 -13.7114 -9.4251 -9.4251 -9.3965 -9.3965 -0.8700 -0.8700 -0.4501 -0.4501 0.9272 0.9272 1.4160 1.4160 8.5409 8.5409 9.7366 9.7366 10.0426 10.0426 12.0156 12.0156 15.3008 15.3008 17.0188 17.0188 k = 0.3509 0.5470 1.2770 ( 1772 PWs) bands (ev): -13.7504 -13.7504 -13.7189 -13.7189 -9.4206 -9.4206 -9.4011 -9.4011 -0.8694 -0.8694 -0.4506 -0.4506 0.9282 0.9282 1.4153 1.4153 8.5371 8.5371 9.7829 9.7829 9.9946 9.9946 12.0226 12.0226 15.2911 15.2911 17.0639 17.0639 k = 0.3421 0.5622 1.2770 ( 1768 PWs) bands (ev): -13.7427 -13.7427 -13.7266 -13.7266 -9.4158 -9.4158 -9.4059 -9.4059 -0.8690 -0.8690 -0.4509 -0.4509 0.9288 0.9288 1.4148 1.4148 8.5349 8.5349 9.8260 9.8260 9.9506 9.9506 12.0269 12.0269 15.2852 15.2852 17.1008 17.1008 k = 0.3333 0.5774 1.2770 ( 1770 PWs) bands (ev): -13.7349 -13.7349 -13.7344 -13.7344 -9.4111 -9.4111 -9.4106 -9.4106 -0.8688 -0.8688 -0.4510 -0.4510 0.9291 0.9291 1.4147 1.4147 8.5342 8.5342 9.8500 9.8500 9.9262 9.9262 12.0283 12.0283 15.2832 15.2832 17.1173 17.1173 k = 0.3333 0.5774 1.2770 ( 1770 PWs) bands (ev): -13.7349 -13.7349 -13.7344 -13.7344 -9.4111 -9.4111 -9.4106 -9.4106 -0.8688 -0.8688 -0.4510 -0.4510 0.9291 0.9291 1.4147 1.4147 8.5342 8.5342 9.8500 9.8500 9.9262 9.9262 12.0283 12.0283 15.2832 15.2832 17.1173 17.1173 k = 0.3243 0.5617 1.2770 ( 1766 PWs) bands (ev): -13.7432 -13.7432 -13.7261 -13.7261 -9.4161 -9.4161 -9.4056 -9.4056 -0.8690 -0.8690 -0.4509 -0.4509 0.9288 0.9288 1.4149 1.4149 8.5349 8.5349 9.8251 9.8251 9.9515 9.9515 12.0268 12.0268 15.2853 15.2853 17.1014 17.1014 k = 0.3153 0.5461 1.2770 ( 1772 PWs) bands (ev): -13.7519 -13.7519 -13.7174 -13.7174 -9.4215 -9.4215 -9.4001 -9.4001 -0.8697 -0.8697 -0.4502 -0.4502 0.9277 0.9277 1.4157 1.4157 8.5373 8.5373 9.7815 9.7815 9.9962 9.9962 12.0222 12.0222 15.2918 15.2918 17.0693 17.0693 k = 0.3063 0.5305 1.2770 ( 1776 PWs) bands (ev): -13.7608 -13.7608 -13.7083 -13.7083 -9.4270 -9.4270 -9.3946 -9.3946 -0.8708 -0.8708 -0.4490 -0.4490 0.9256 0.9256 1.4171 1.4171 8.5411 8.5411 9.7352 9.7352 10.0443 10.0443 12.0146 12.0146 15.3026 15.3026 17.0338 17.0338 k = 0.2973 0.5149 1.2770 ( 1776 PWs) bands (ev): -13.7699 -13.7699 -13.6991 -13.6991 -9.4327 -9.4327 -9.3889 -9.3889 -0.8726 -0.8726 -0.4469 -0.4469 0.9224 0.9224 1.4194 1.4194 8.5464 8.5464 9.6889 9.6889 10.0933 10.0933 12.0039 12.0039 15.3180 15.3180 16.9989 16.9989 k = 0.2883 0.4993 1.2770 ( 1780 PWs) bands (ev): -13.7791 -13.7791 -13.6897 -13.6897 -9.4384 -9.4384 -9.3831 -9.3831 -0.8750 -0.8750 -0.4441 -0.4441 0.9180 0.9180 1.4225 1.4225 8.5532 8.5532 9.6432 9.6432 10.1424 10.1424 11.9904 11.9904 15.3378 15.3378 16.9659 16.9659 k = 0.2793 0.4837 1.2770 ( 1780 PWs) bands (ev): -13.7884 -13.7884 -13.6801 -13.6801 -9.4442 -9.4442 -9.3772 -9.3772 -0.8783 -0.8783 -0.4402 -0.4402 0.9121 0.9121 1.4265 1.4265 8.5612 8.5612 9.5985 9.5985 10.1912 10.1912 11.9740 11.9740 15.3622 15.3622 16.9355 16.9355 k = 0.2703 0.4681 1.2770 ( 1780 PWs) bands (ev): -13.7978 -13.7978 -13.6704 -13.6704 -9.4501 -9.4501 -9.3713 -9.3713 -0.8823 -0.8823 -0.4352 -0.4352 0.9048 0.9048 1.4316 1.4316 8.5706 8.5706 9.5550 9.5550 10.2397 10.2397 11.9550 11.9550 15.3912 15.3912 16.9081 16.9081 k = 0.2613 0.4525 1.2770 ( 1776 PWs) bands (ev): -13.8073 -13.8073 -13.6606 -13.6606 -9.4560 -9.4560 -9.3653 -9.3653 -0.8871 -0.8871 -0.4290 -0.4290 0.8958 0.8958 1.4376 1.4376 8.5812 8.5812 9.5128 9.5128 10.2876 10.2876 11.9334 11.9334 15.4247 15.4247 16.8841 16.8841 k = 0.2523 0.4369 1.2770 ( 1776 PWs) bands (ev): -13.8167 -13.8167 -13.6507 -13.6507 -9.4619 -9.4619 -9.3593 -9.3593 -0.8928 -0.8928 -0.4215 -0.4215 0.8852 0.8852 1.4446 1.4446 8.5929 8.5929 9.4719 9.4719 10.3350 10.3350 11.9096 11.9096 15.4628 15.4628 16.8636 16.8636 k = 0.2432 0.4213 1.2770 ( 1772 PWs) bands (ev): -13.8262 -13.8262 -13.6408 -13.6408 -9.4678 -9.4678 -9.3532 -9.3532 -0.8993 -0.8993 -0.4128 -0.4128 0.8729 0.8729 1.4526 1.4526 8.6056 8.6056 9.4325 9.4325 10.3817 10.3817 11.8836 11.8836 15.5055 15.5055 16.8468 16.8468 k = 0.2342 0.4057 1.2770 ( 1768 PWs) bands (ev): -13.8355 -13.8355 -13.6308 -13.6308 -9.4737 -9.4737 -9.3472 -9.3472 -0.9065 -0.9065 -0.4027 -0.4027 0.8590 0.8590 1.4614 1.4614 8.6193 8.6193 9.3946 9.3946 10.4278 10.4278 11.8557 11.8557 15.5527 15.5527 16.8337 16.8337 k = 0.2252 0.3901 1.2770 ( 1764 PWs) bands (ev): -13.8448 -13.8448 -13.6210 -13.6210 -9.4795 -9.4795 -9.3412 -9.3412 -0.9145 -0.9145 -0.3913 -0.3913 0.8435 0.8435 1.4709 1.4709 8.6338 8.6338 9.3582 9.3582 10.4731 10.4731 11.8261 11.8261 15.6044 15.6044 16.8246 16.8246 k = 0.2162 0.3745 1.2770 ( 1772 PWs) bands (ev): -13.8541 -13.8541 -13.6111 -13.6111 -9.4853 -9.4853 -9.3352 -9.3352 -0.9230 -0.9230 -0.3787 -0.3787 0.8265 0.8265 1.4812 1.4812 8.6490 8.6490 9.3234 9.3234 10.5177 10.5177 11.7951 11.7951 15.6605 15.6605 16.8194 16.8194 k = 0.2072 0.3589 1.2770 ( 1772 PWs) bands (ev): -13.8632 -13.8632 -13.6014 -13.6014 -9.4911 -9.4911 -9.3293 -9.3293 -0.9321 -0.9321 -0.3648 -0.3648 0.8081 0.8081 1.4919 1.4919 8.6648 8.6648 9.2902 9.2902 10.5615 10.5615 11.7629 11.7629 15.7209 15.7209 16.8181 16.8181 k = 0.1982 0.3433 1.2770 ( 1768 PWs) bands (ev): -13.8721 -13.8721 -13.5918 -13.5918 -9.4967 -9.4967 -9.3235 -9.3235 -0.9416 -0.9416 -0.3496 -0.3496 0.7883 0.7883 1.5031 1.5031 8.6811 8.6811 9.2586 9.2586 10.6045 10.6045 11.7297 11.7297 15.7855 15.7855 16.8206 16.8206 k = 0.1892 0.3277 1.2770 ( 1768 PWs) bands (ev): -13.8808 -13.8808 -13.5823 -13.5823 -9.5022 -9.5022 -9.3178 -9.3178 -0.9514 -0.9514 -0.3334 -0.3334 0.7673 0.7673 1.5147 1.5147 8.6978 8.6978 9.2286 9.2286 10.6468 10.6468 11.6958 11.6958 15.8542 15.8542 16.8260 16.8260 k = 0.1802 0.3121 1.2770 ( 1760 PWs) bands (ev): -13.8893 -13.8893 -13.5730 -13.5730 -9.5076 -9.5076 -9.3122 -9.3122 -0.9615 -0.9615 -0.3160 -0.3160 0.7451 0.7451 1.5264 1.5264 8.7146 8.7146 9.2003 9.2003 10.6882 10.6882 11.6614 11.6614 15.9269 15.9269 16.8085 16.8085 k = 0.1712 0.2965 1.2770 ( 1760 PWs) bands (ev): -13.8975 -13.8975 -13.5640 -13.5640 -9.5128 -9.5128 -9.3067 -9.3067 -0.9716 -0.9716 -0.2976 -0.2976 0.7218 0.7218 1.5381 1.5381 8.7316 8.7316 9.1737 9.1737 10.7287 10.7287 11.6269 11.6269 16.0031 16.0031 16.6966 16.6966 k = 0.1622 0.2809 1.2770 ( 1756 PWs) bands (ev): -13.9055 -13.9055 -13.5552 -13.5552 -9.5179 -9.5179 -9.3014 -9.3014 -0.9819 -0.9819 -0.2782 -0.2782 0.6976 0.6976 1.5499 1.5499 8.7485 8.7485 9.1486 9.1486 10.7683 10.7683 11.5924 11.5924 16.0828 16.0828 16.5788 16.5788 k = 0.1532 0.2653 1.2770 ( 1760 PWs) bands (ev): -13.9133 -13.9133 -13.5467 -13.5467 -9.5228 -9.5228 -9.2963 -9.2963 -0.9920 -0.9920 -0.2579 -0.2579 0.6724 0.6724 1.5615 1.5615 8.7653 8.7653 9.1253 9.1253 10.8071 10.8071 11.5582 11.5582 16.1654 16.1654 16.4630 16.4630 k = 0.1441 0.2497 1.2770 ( 1760 PWs) bands (ev): -13.9207 -13.9207 -13.5385 -13.5385 -9.5275 -9.5275 -9.2914 -9.2914 -1.0021 -1.0021 -0.2367 -0.2367 0.6465 0.6465 1.5728 1.5728 8.7817 8.7817 9.1036 9.1036 10.8448 10.8448 11.5246 11.5246 16.2494 16.2494 16.3509 16.3509 k = 0.1351 0.2341 1.2770 ( 1760 PWs) bands (ev): -13.9277 -13.9277 -13.5306 -13.5306 -9.5320 -9.5320 -9.2867 -9.2867 -1.0119 -1.0119 -0.2148 -0.2148 0.6199 0.6199 1.5839 1.5839 8.7977 8.7977 9.0835 9.0835 10.8814 10.8814 11.4918 11.4918 16.2376 16.2376 16.3393 16.3393 k = 0.1261 0.2185 1.2770 ( 1760 PWs) bands (ev): -13.9344 -13.9344 -13.5231 -13.5231 -9.5362 -9.5362 -9.2822 -9.2822 -1.0214 -1.0214 -0.1920 -0.1920 0.5927 0.5927 1.5946 1.5946 8.8131 8.8131 9.0651 9.0651 10.9169 10.9169 11.4600 11.4600 16.1330 16.1330 16.4230 16.4230 k = 0.1171 0.2029 1.2770 ( 1760 PWs) bands (ev): -13.9408 -13.9408 -13.5160 -13.5160 -9.5403 -9.5403 -9.2780 -9.2780 -1.0305 -1.0305 -0.1685 -0.1685 0.5649 0.5649 1.6048 1.6048 8.8278 8.8278 9.0483 9.0483 10.9510 10.9510 11.4296 11.4296 16.0320 16.0320 16.4975 16.4975 k = 0.1081 0.1872 1.2770 ( 1764 PWs) bands (ev): -13.9467 -13.9467 -13.5093 -13.5093 -9.5441 -9.5441 -9.2740 -9.2740 -1.0392 -1.0392 -0.1444 -0.1444 0.5367 0.5367 1.6145 1.6145 8.8416 8.8416 9.0332 9.0332 10.9836 10.9836 11.4006 11.4006 15.9359 15.9359 16.5360 16.5360 k = 0.0991 0.1716 1.2770 ( 1760 PWs) bands (ev): -13.9522 -13.9522 -13.5030 -13.5030 -9.5476 -9.5476 -9.2703 -9.2703 -1.0474 -1.0474 -0.1196 -0.1196 0.5081 0.5081 1.6236 1.6236 8.8544 8.8544 9.0198 9.0198 11.0146 11.0146 11.3734 11.3734 15.8452 15.8452 16.5229 16.5229 k = 0.0901 0.1560 1.2770 ( 1764 PWs) bands (ev): -13.9573 -13.9573 -13.4972 -13.4972 -9.5508 -9.5508 -9.2668 -9.2668 -1.0551 -1.0551 -0.0943 -0.0943 0.4791 0.4791 1.6320 1.6320 8.8659 8.8659 9.0082 9.0082 11.0436 11.0436 11.3482 11.3482 15.7603 15.7603 16.4880 16.4880 k = 0.0811 0.1404 1.2770 ( 1764 PWs) bands (ev): -13.9620 -13.9620 -13.4919 -13.4919 -9.5538 -9.5538 -9.2637 -9.2637 -1.0622 -1.0622 -0.0684 -0.0684 0.4499 0.4499 1.6398 1.6398 8.8760 8.8760 8.9983 8.9983 11.0703 11.0703 11.3253 11.3253 15.6819 15.6819 16.4491 16.4491 k = 0.0721 0.1248 1.2770 ( 1764 PWs) bands (ev): -13.9662 -13.9662 -13.4871 -13.4871 -9.5565 -9.5565 -9.2608 -9.2608 -1.0687 -1.0687 -0.0419 -0.0419 0.4204 0.4204 1.6469 1.6469 8.8846 8.8846 8.9903 8.9903 11.0945 11.0945 11.3050 11.3050 15.6102 15.6102 16.4114 16.4114 k = 0.0631 0.1092 1.2770 ( 1760 PWs) bands (ev): -13.9699 -13.9699 -13.4829 -13.4829 -9.5589 -9.5589 -9.2583 -9.2583 -1.0744 -1.0744 -0.0151 -0.0151 0.3908 0.3908 1.6532 1.6532 8.8915 8.8915 8.9841 8.9841 11.1157 11.1157 11.2876 11.2876 15.5458 15.5458 16.3768 16.3768 k = 0.0541 0.0936 1.2770 ( 1764 PWs) bands (ev): -13.9732 -13.9732 -13.4791 -13.4791 -9.5610 -9.5610 -9.2561 -9.2561 -1.0795 -1.0795 0.0122 0.0122 0.3611 0.3611 1.6587 1.6587 8.8967 8.8967 8.9799 8.9799 11.1334 11.1334 11.2736 11.2736 15.4890 15.4890 16.3459 16.3459 k = 0.0450 0.0780 1.2770 ( 1768 PWs) bands (ev): -13.9760 -13.9760 -13.4759 -13.4759 -9.5628 -9.5628 -9.2542 -9.2542 -1.0839 -1.0839 0.0400 0.0400 0.3314 0.3314 1.6635 1.6635 8.9001 8.9001 8.9773 8.9773 11.1470 11.1470 11.2633 11.2633 15.4403 15.4403 16.3194 16.3194 k = 0.0360 0.0624 1.2770 ( 1764 PWs) bands (ev): -13.9782 -13.9782 -13.4733 -13.4733 -9.5642 -9.5642 -9.2526 -9.2526 -1.0874 -1.0874 0.0680 0.0680 0.3016 0.3016 1.6673 1.6673 8.9022 8.9022 8.9760 8.9760 11.1563 11.1563 11.2570 11.2570 15.3999 15.3999 16.2974 16.2974 k = 0.0270 0.0468 1.2770 ( 1756 PWs) bands (ev): -13.9800 -13.9800 -13.4712 -13.4712 -9.5654 -9.5654 -9.2514 -9.2514 -1.0902 -1.0902 0.0964 0.0964 0.2719 0.2719 1.6704 1.6704 8.9032 8.9032 8.9757 8.9757 11.1616 11.1616 11.2541 11.2541 15.3681 15.3681 16.2801 16.2801 k = 0.0180 0.0312 1.2770 ( 1754 PWs) bands (ev): -13.9813 -13.9813 -13.4698 -13.4698 -9.5662 -9.5662 -9.2505 -9.2505 -1.0923 -1.0923 0.1251 0.1251 0.2422 0.2422 1.6726 1.6726 8.9037 8.9037 8.9758 8.9758 11.1641 11.1641 11.2534 11.2534 15.3453 15.3453 16.2677 16.2677 k = 0.0090 0.0156 1.2770 ( 1748 PWs) bands (ev): -13.9820 -13.9820 -13.4689 -13.4689 -9.5667 -9.5667 -9.2500 -9.2500 -1.0935 -1.0935 0.1541 0.1541 0.2127 0.2127 1.6739 1.6739 8.9038 8.9038 8.9760 8.9760 11.1649 11.1649 11.2537 11.2537 15.3315 15.3315 16.2603 16.2603 k = 0.0000 0.0000 1.2770 ( 1748 PWs) bands (ev): -13.9823 -13.9823 -13.4686 -13.4686 -9.5668 -9.5668 -9.2498 -9.2498 -1.0939 -1.0939 0.1830 0.1830 0.1836 0.1836 1.6743 1.6743 8.9038 8.9038 8.9761 8.9761 11.1650 11.1650 11.2540 11.2540 15.3269 15.3269 16.2578 16.2578 k = 0.5000 0.2887 1.2770 ( 1772 PWs) bands (ev): -13.8191 -13.8191 -13.6482 -13.6482 -9.4633 -9.4633 -9.3578 -9.3578 -0.8763 -0.8763 -0.4519 -0.4519 0.9199 0.9199 1.4230 1.4230 8.6955 8.6955 9.2087 9.2087 10.6100 10.6100 11.7771 11.7771 15.7071 15.7071 16.2814 16.2814 k = 0.5000 0.2887 1.2588 ( 1774 PWs) bands (ev): -13.8289 -13.8289 -13.6582 -13.6582 -9.4505 -9.4505 -9.3447 -9.3447 -0.8796 -0.8796 -0.4552 -0.4552 0.9162 0.9162 1.4195 1.4195 8.7019 8.7019 9.2149 9.2149 10.6158 10.6158 11.7830 11.7830 15.6923 15.6923 16.2708 16.2708 k = 0.5000 0.2887 1.2406 ( 1770 PWs) bands (ev): -13.8579 -13.8579 -13.6877 -13.6877 -9.4122 -9.4122 -9.3060 -9.3060 -0.8896 -0.8896 -0.4649 -0.4649 0.9053 0.9053 1.4090 1.4090 8.7211 8.7211 9.2334 9.2334 10.6330 10.6330 11.8007 11.8007 15.6491 15.6491 16.2395 16.2395 k = 0.5000 0.2887 1.2223 ( 1774 PWs) bands (ev): -13.9053 -13.9053 -13.7358 -13.7358 -9.3496 -9.3496 -9.2426 -9.2426 -0.9061 -0.9061 -0.4811 -0.4811 0.8871 0.8871 1.3916 1.3916 8.7529 8.7529 9.2642 9.2642 10.6617 10.6617 11.8300 11.8300 15.5808 15.5808 16.1890 16.1890 k = 0.5000 0.2887 1.2041 ( 1766 PWs) bands (ev): -13.9693 -13.9693 -13.8009 -13.8009 -9.2641 -9.2641 -9.1562 -9.1562 -0.9290 -0.9290 -0.5036 -0.5036 0.8620 0.8620 1.3675 1.3675 8.7972 8.7972 9.3069 9.3069 10.7015 10.7015 11.8710 11.8710 15.4917 15.4917 16.1213 16.1213 k = 0.5000 0.2887 1.1858 ( 1766 PWs) bands (ev): -14.0483 -14.0483 -13.8811 -13.8811 -9.1575 -9.1575 -9.0486 -9.0486 -0.9581 -0.9581 -0.5321 -0.5321 0.8300 0.8300 1.3368 1.3368 8.8538 8.8538 9.3615 9.3615 10.7524 10.7524 11.9233 11.9233 15.3864 15.3864 16.0388 16.0388 k = 0.5000 0.2887 1.1676 ( 1766 PWs) bands (ev): -14.1402 -14.1402 -13.9742 -13.9742 -9.0320 -9.0320 -8.9220 -8.9220 -0.9932 -0.9932 -0.5665 -0.5665 0.7916 0.7916 1.2998 1.2998 8.9223 8.9223 9.4276 9.4276 10.8139 10.8139 11.9869 11.9869 15.2689 15.2689 15.9442 15.9442 k = 0.5000 0.2887 1.1493 ( 1770 PWs) bands (ev): -14.2431 -14.2431 -14.0784 -14.0784 -8.8895 -8.8895 -8.7783 -8.7783 -1.0340 -1.0340 -0.6065 -0.6065 0.7469 0.7469 1.2569 1.2569 9.0025 9.0025 9.5048 9.5048 10.8858 10.8858 12.0614 12.0614 15.1423 15.1423 15.8395 15.8395 k = 0.5000 0.2887 1.1311 ( 1766 PWs) bands (ev): -14.3551 -14.3551 -14.1916 -14.1916 -8.7319 -8.7319 -8.6196 -8.6196 -1.0801 -1.0801 -0.6518 -0.6518 0.6965 0.6965 1.2083 1.2083 9.0940 9.0940 9.5928 9.5928 10.9676 10.9676 12.1466 12.1466 15.0093 15.0093 15.7271 15.7271 k = 0.5000 0.2887 1.1128 ( 1766 PWs) bands (ev): -14.4745 -14.4745 -14.3123 -14.3123 -8.5608 -8.5608 -8.4475 -8.4475 -1.1312 -1.1312 -0.7020 -0.7020 0.6405 0.6405 1.1544 1.1544 9.1963 9.1963 9.6911 9.6911 11.0589 11.0589 12.2422 12.2422 14.8718 14.8718 15.6085 15.6085 k = 0.5000 0.2887 1.0946 ( 1774 PWs) bands (ev): -14.5998 -14.5998 -14.4387 -14.4387 -8.3779 -8.3779 -8.2637 -8.2637 -1.1869 -1.1869 -0.7568 -0.7568 0.5795 0.5795 1.0956 1.0956 9.3090 9.3090 9.7992 9.7992 11.1590 11.1590 12.3479 12.3479 14.7314 14.7314 15.4853 15.4853 k = 0.5000 0.2887 1.0764 ( 1770 PWs) bands (ev): -14.7297 -14.7297 -14.5698 -14.5698 -8.1846 -8.1846 -8.0695 -8.0695 -1.2468 -1.2468 -0.8158 -0.8158 0.5139 0.5139 1.0322 1.0322 9.4317 9.4317 9.9168 9.9168 11.2675 11.2675 12.4632 12.4632 14.5893 14.5893 15.3588 15.3588 k = 0.5000 0.2887 1.0581 ( 1770 PWs) bands (ev): -14.8631 -14.8631 -14.7042 -14.7042 -7.9819 -7.9819 -7.8662 -7.8662 -1.3105 -1.3105 -0.8786 -0.8786 0.4441 0.4441 0.9647 0.9647 9.5641 9.5641 10.0433 10.0433 11.3836 11.3836 12.5879 12.5879 14.4463 14.4463 15.2298 15.2298 k = 0.5000 0.2887 1.0399 ( 1770 PWs) bands (ev): -14.9991 -14.9991 -14.8412 -14.8412 -7.7709 -7.7709 -7.6547 -7.6547 -1.3776 -1.3776 -0.9448 -0.9448 0.3705 0.3705 0.8934 0.8934 9.7056 9.7056 10.1781 10.1781 11.5066 11.5066 12.7216 12.7216 14.3032 14.3032 15.0994 15.0994 k = 0.5000 0.2887 1.0216 ( 1770 PWs) bands (ev): -15.1368 -15.1368 -14.9798 -14.9798 -7.5525 -7.5525 -7.4360 -7.4360 -1.4475 -1.4475 -1.0140 -1.0140 0.2936 0.2936 0.8188 0.8188 9.8557 9.8557 10.3208 10.3208 11.6355 11.6355 12.8638 12.8638 14.1604 14.1604 14.9681 14.9681 k = 0.5000 0.2887 1.0034 ( 1768 PWs) bands (ev): -15.2756 -15.2756 -15.1194 -15.1194 -7.3275 -7.3275 -7.2109 -7.2109 -1.5199 -1.5199 -1.0857 -1.0857 0.2136 0.2136 0.7412 0.7412 10.0142 10.0142 10.4708 10.4708 11.7694 11.7694 13.0143 13.0143 14.0186 14.0186 14.8365 14.8365 k = 0.5000 0.2887 0.9851 ( 1772 PWs) bands (ev): -15.4149 -15.4149 -15.2595 -15.2595 -7.0965 -7.0965 -6.9800 -6.9800 -1.5942 -1.5942 -1.1595 -1.1595 0.1311 0.1311 0.6610 0.6610 10.1805 10.1805 10.6274 10.6274 11.9068 11.9068 13.1726 13.1726 13.8779 13.8779 14.7050 14.7050 k = 0.5000 0.2887 0.9669 ( 1764 PWs) bands (ev): -15.5542 -15.5542 -15.3995 -15.3995 -6.8602 -6.8602 -6.7442 -6.7442 -1.6699 -1.6699 -1.2350 -1.2350 0.0464 0.0464 0.5785 0.5785 10.3543 10.3543 10.7902 10.7902 12.0464 12.0464 13.3383 13.3383 13.7389 13.7389 14.5742 14.5742 k = 0.5000 0.2887 0.9487 ( 1764 PWs) bands (ev): -15.6931 -15.6931 -15.5391 -15.5391 -6.6193 -6.6193 -6.5040 -6.5040 -1.7466 -1.7466 -1.3117 -1.3117 -0.0401 -0.0401 0.4941 0.4941 10.5351 10.5351 10.9583 10.9583 12.1860 12.1860 13.5106 13.5106 13.6018 13.6018 14.4444 14.4444 k = 0.5000 0.2887 0.9304 ( 1764 PWs) bands (ev): -15.8312 -15.8312 -15.6779 -15.6779 -6.3742 -6.3742 -6.2602 -6.2602 -1.8237 -1.8237 -1.3891 -1.3891 -0.1281 -0.1281 0.4082 0.4082 10.7226 10.7226 11.1311 11.1311 12.3232 12.3232 13.4664 13.4664 13.6898 13.6898 14.3161 14.3161 k = 0.5000 0.2887 0.9122 ( 1764 PWs) bands (ev): -15.9684 -15.9684 -15.8156 -15.8156 -6.1257 -6.1257 -6.0134 -6.0134 -1.9004 -1.9004 -1.4667 -1.4667 -0.2172 -0.2172 0.3210 0.3210 10.9164 10.9164 11.3076 11.3076 12.4547 12.4547 13.3340 13.3340 13.8732 13.8732 14.1908 14.1908 k = 0.5000 0.2887 0.8939 ( 1768 PWs) bands (ev): -16.1043 -16.1043 -15.9520 -15.9520 -5.8743 -5.8743 -5.7645 -5.7645 -1.9761 -1.9761 -1.5437 -1.5437 -0.3071 -0.3071 0.2329 0.2329 11.1160 11.1160 11.4868 11.4868 12.5765 12.5765 13.2046 13.2046 14.0259 14.0259 14.1035 14.1035 k = 0.5000 0.2887 0.8757 ( 1768 PWs) bands (ev): -16.2386 -16.2386 -16.0869 -16.0869 -5.6207 -5.6207 -5.5145 -5.5145 -2.0497 -2.0497 -1.6197 -1.6197 -0.3974 -0.3974 0.1442 0.1442 11.3210 11.3210 11.6671 11.6671 12.6836 12.6836 13.0790 13.0790 13.9310 13.9310 14.2705 14.2705 k = 0.5000 0.2887 0.8574 ( 1768 PWs) bands (ev): -16.3713 -16.3713 -16.2200 -16.2200 -5.3659 -5.3659 -5.2645 -5.2645 -2.1202 -2.1202 -1.6936 -1.6936 -0.4878 -0.4878 0.0551 0.0551 11.5310 11.5310 11.8464 11.8464 12.7700 12.7700 12.9597 12.9597 13.8107 13.8107 14.4692 14.4692 k = 0.5000 0.2887 0.8392 ( 1772 PWs) bands (ev): -16.5021 -16.5021 -16.3512 -16.3512 -5.1109 -5.1109 -5.0164 -5.0164 -2.1860 -2.1860 -1.7645 -1.7645 -0.5779 -0.5779 -0.0339 -0.0339 11.7453 11.7453 12.0207 12.0207 12.8136 12.8136 12.8675 12.8675 13.6911 13.6911 14.6717 14.6717 k = 0.5000 0.2887 0.8210 ( 1776 PWs) bands (ev): -16.6309 -16.6309 -16.4805 -16.4805 -4.8571 -4.8571 -4.7724 -4.7724 -2.2448 -2.2448 -1.8309 -1.8309 -0.6674 -0.6674 -0.1225 -0.1225 11.9628 11.9628 12.1803 12.1803 12.7394 12.7394 12.8832 12.8832 13.5736 13.5736 14.8609 14.8609 k = 0.5000 0.2887 0.8027 ( 1774 PWs) bands (ev): -16.7576 -16.7576 -16.6075 -16.6075 -4.6066 -4.6066 -4.5359 -4.5359 -2.2938 -2.2938 -1.8909 -1.8909 -0.7556 -0.7556 -0.2105 -0.2105 12.1808 12.1808 12.2975 12.2975 12.6865 12.6865 12.8960 12.8960 13.4586 13.4586 14.9791 14.9791 k = 0.5000 0.2887 0.7845 ( 1774 PWs) bands (ev): -16.8821 -16.8821 -16.7323 -16.7323 -4.3621 -4.3621 -4.3117 -4.3117 -2.3283 -2.3283 -1.9418 -1.9418 -0.8421 -0.8421 -0.2974 -0.2974 12.3067 12.3067 12.4065 12.4065 12.7264 12.7264 12.8918 12.8918 13.3474 13.3474 15.1060 15.1060 k = 0.5000 0.2887 0.7662 ( 1780 PWs) bands (ev): -17.0043 -17.0043 -16.8548 -16.8548 -4.1281 -4.1281 -4.1065 -4.1065 -2.3425 -2.3425 -1.9795 -1.9795 -0.9260 -0.9260 -0.3827 -0.3827 12.2455 12.2455 12.6029 12.6029 12.8346 12.8346 12.8927 12.8927 13.2430 13.2430 15.2580 15.2580 k = 0.5000 0.2887 0.7480 ( 1776 PWs) bands (ev): -17.1241 -17.1241 -16.9749 -16.9749 -3.9319 -3.9319 -3.9077 -3.9077 -2.3287 -2.3287 -1.9983 -1.9983 -1.0061 -1.0061 -0.4657 -0.4657 12.1533 12.1533 12.7086 12.7086 12.9292 12.9292 12.9829 12.9829 13.1655 13.1655 15.4317 15.4317 k = 0.5000 0.2887 0.7297 ( 1776 PWs) bands (ev): -17.2414 -17.2414 -17.0925 -17.0925 -3.7930 -3.7930 -3.7134 -3.7134 -2.2803 -2.2803 -1.9901 -1.9901 -1.0801 -1.0801 -0.5454 -0.5454 12.0527 12.0527 12.6903 12.6903 12.9626 12.9626 13.0970 13.0970 13.2384 13.2384 15.6223 15.6223 k = 0.5000 0.2887 0.7115 ( 1774 PWs) bands (ev): -17.3562 -17.3562 -17.2076 -17.2076 -3.6987 -3.6987 -3.5520 -3.5520 -2.1962 -2.1962 -1.9453 -1.9453 -1.1441 -1.1441 -0.6204 -0.6204 11.9502 11.9502 12.6345 12.6345 12.8803 12.8803 13.2156 13.2156 13.4418 13.4418 15.7330 15.7330 k = 0.5000 0.2887 0.6932 ( 1772 PWs) bands (ev): -17.4684 -17.4684 -17.3200 -17.3200 -3.6477 -3.6477 -3.4321 -3.4321 -2.0867 -2.0867 -1.8573 -1.8573 -1.1900 -1.1900 -0.6877 -0.6877 11.8479 11.8479 12.5663 12.5663 12.7837 12.7837 13.3108 13.3108 13.6733 13.6733 15.7842 15.7842 k = 0.5000 0.2887 0.6750 ( 1768 PWs) bands (ev): -17.5780 -17.5780 -17.4298 -17.4298 -3.6326 -3.6326 -3.3565 -3.3565 -1.9727 -1.9727 -1.7319 -1.7319 -1.2004 -1.2004 -0.7421 -0.7421 11.7469 11.7469 12.4920 12.4920 12.6860 12.6860 13.3812 13.3812 13.9137 13.9137 15.8661 15.8661 k = 0.5000 0.2887 0.6568 ( 1776 PWs) bands (ev): -17.6850 -17.6850 -17.5369 -17.5369 -3.6439 -3.6439 -3.3208 -3.3208 -1.8842 -1.8842 -1.5943 -1.5943 -1.1455 -1.1455 -0.7723 -0.7723 11.6478 11.6478 12.4143 12.4143 12.5895 12.5895 13.4269 13.4269 14.1578 14.1578 15.9784 15.9784 k = 0.5000 0.2887 0.6385 ( 1772 PWs) bands (ev): -17.7892 -17.7892 -17.6413 -17.6413 -3.6734 -3.6734 -3.3161 -3.3161 -1.8472 -1.8472 -1.4776 -1.4776 -1.0049 -1.0049 -0.7559 -0.7559 11.5508 11.5508 12.3346 12.3346 12.4948 12.4948 13.4498 13.4498 14.4035 14.4035 16.1129 16.1129 k = 0.5000 0.2887 0.6203 ( 1772 PWs) bands (ev): -17.8907 -17.8907 -17.7430 -17.7430 -3.7149 -3.7149 -3.3334 -3.3334 -1.8588 -1.8588 -1.4099 -1.4099 -0.7980 -0.7980 -0.6636 -0.6636 11.4561 11.4561 12.2541 12.2541 12.4023 12.4023 13.4527 13.4527 14.6491 14.6491 16.1544 16.1544 k = 0.5000 0.2887 0.6020 ( 1772 PWs) bands (ev): -17.9894 -17.9894 -17.8419 -17.8419 -3.7643 -3.7643 -3.3656 -3.3656 -1.8991 -1.8991 -1.3982 -1.3982 -0.5574 -0.5574 -0.4870 -0.4870 11.3637 11.3637 12.1734 12.1734 12.3121 12.3121 13.4394 13.4394 14.8929 14.8929 16.1048 16.1048 k = 0.5000 0.2887 0.5838 ( 1772 PWs) bands (ev): -18.0853 -18.0853 -17.9379 -17.9379 -3.8187 -3.8187 -3.4076 -3.4076 -1.9537 -1.9537 -1.4247 -1.4247 -0.3043 -0.3043 -0.2449 -0.2449 11.2739 11.2739 12.0931 12.0931 12.2244 12.2244 13.4131 13.4131 15.1332 15.1332 16.0438 16.0438 k = 0.5000 0.2887 0.5655 ( 1772 PWs) bands (ev): -18.1784 -18.1784 -18.0312 -18.0312 -3.8763 -3.8763 -3.4560 -3.4560 -2.0152 -2.0152 -1.4709 -1.4709 -0.0388 -0.0388 0.0317 0.0317 11.1866 11.1866 12.0135 12.0135 12.1392 12.1392 13.3770 13.3770 15.3676 15.3676 15.9784 15.9784 k = 0.5000 0.2887 0.5473 ( 1768 PWs) bands (ev): -18.2686 -18.2686 -18.1215 -18.1215 -3.9357 -3.9357 -3.5085 -3.5085 -2.0798 -2.0798 -1.5266 -1.5266 0.2407 0.2407 0.3235 0.3235 11.1019 11.1019 11.9350 11.9350 12.0565 12.0565 13.3336 13.3336 15.5932 15.5932 15.9114 15.9114 k = 0.5000 0.2887 0.5291 ( 1768 PWs) bands (ev): -18.3560 -18.3560 -18.2091 -18.2091 -3.9959 -3.9959 -3.5633 -3.5633 -2.1457 -2.1457 -1.5867 -1.5867 0.5312 0.5312 0.6239 0.6239 11.0198 11.0198 11.8577 11.8577 11.9764 11.9764 13.2849 13.2849 15.7990 15.7990 15.8519 15.8519 k = 0.5000 0.2887 0.5108 ( 1770 PWs) bands (ev): -18.4405 -18.4405 -18.2937 -18.2937 -4.0563 -4.0563 -3.6195 -3.6195 -2.2115 -2.2115 -1.6487 -1.6487 0.8297 0.8297 0.9303 0.9303 10.9404 10.9404 11.7819 11.7819 11.8989 11.8989 13.2323 13.2323 15.7722 15.7722 16.0098 16.0098 k = 0.5000 0.2887 0.4926 ( 1768 PWs) bands (ev): -18.5221 -18.5221 -18.3754 -18.3754 -4.1163 -4.1163 -3.6761 -3.6761 -2.2767 -2.2767 -1.7111 -1.7111 1.1343 1.1343 1.2409 1.2409 10.8636 10.8636 11.7075 11.7075 11.8240 11.8240 13.1773 13.1773 15.7062 15.7062 16.1880 16.1880 k = 0.5000 0.2887 0.4743 ( 1766 PWs) bands (ev): -18.6009 -18.6009 -18.4543 -18.4543 -4.1755 -4.1755 -3.7326 -3.7326 -2.3408 -2.3408 -1.7731 -1.7731 1.4434 1.4434 1.5550 1.5550 10.7895 10.7895 11.6348 11.6348 11.7518 11.7518 13.1205 13.1205 15.6409 15.6409 16.3431 16.3431 k = 0.5000 0.2887 0.4561 ( 1762 PWs) bands (ev): -18.6767 -18.6767 -18.5302 -18.5302 -4.2338 -4.2338 -3.7885 -3.7885 -2.4035 -2.4035 -1.8341 -1.8341 1.7559 1.7559 1.8715 1.8715 10.7180 10.7180 11.5638 11.5638 11.6822 11.6822 13.0629 13.0629 15.5771 15.5771 16.4713 16.4714 k = 0.5000 0.2887 0.4378 ( 1762 PWs) bands (ev): -18.7496 -18.7496 -18.6031 -18.6031 -4.2907 -4.2907 -3.8435 -3.8435 -2.4644 -2.4644 -1.8937 -1.8937 2.0710 2.0710 2.1900 2.1900 10.6493 10.6493 11.4945 11.4945 11.6153 11.6153 13.0049 13.0049 15.5151 15.5151 16.5714 16.5714 k = 0.5000 0.2887 0.4196 ( 1766 PWs) bands (ev): -18.8195 -18.8195 -18.6732 -18.6732 -4.3461 -4.3461 -3.8973 -3.8973 -2.5236 -2.5236 -1.9518 -1.9518 2.3880 2.3880 2.5098 2.5098 10.5833 10.5833 11.4269 11.4269 11.5510 11.5510 12.9469 12.9469 15.4551 15.4551 16.6437 16.6437 k = 0.5000 0.2887 0.4014 ( 1762 PWs) bands (ev): -18.8866 -18.8866 -18.7403 -18.7403 -4.3998 -4.3998 -3.9496 -3.9496 -2.5807 -2.5807 -2.0080 -2.0080 2.7061 2.7061 2.8305 2.8305 10.5200 10.5200 11.3610 11.3610 11.4894 11.4894 12.8893 12.8893 15.3972 15.3972 16.6892 16.6892 k = 0.5000 0.2887 0.3831 ( 1760 PWs) bands (ev): -18.9506 -18.9506 -18.8044 -18.8044 -4.4518 -4.4518 -4.0004 -4.0004 -2.6358 -2.6358 -2.0623 -2.0623 3.0249 3.0249 3.1516 3.1516 10.4593 10.4593 11.2968 11.2968 11.4305 11.4305 12.8323 12.8323 15.3416 15.3416 16.7079 16.7079 k = 0.5000 0.2887 0.3649 ( 1760 PWs) bands (ev): -19.0118 -19.0118 -18.8656 -18.8656 -4.5018 -4.5018 -4.0494 -4.0494 -2.6886 -2.6886 -2.1145 -2.1145 3.3438 3.3438 3.4724 3.4724 10.4014 10.4014 11.2342 11.2342 11.3743 11.3743 12.7760 12.7760 15.2883 15.2883 16.6988 16.6988 k = 0.5000 0.2887 0.3466 ( 1756 PWs) bands (ev): -19.0699 -19.0699 -18.9238 -18.9238 -4.5498 -4.5498 -4.0965 -4.0965 -2.7393 -2.7393 -2.1645 -2.1645 3.6622 3.6622 3.7925 3.7925 10.3462 10.3462 11.1731 11.1731 11.3208 11.3208 12.7206 12.7206 15.2373 15.2373 16.6688 16.6688 k = 0.5000 0.2887 0.3284 ( 1760 PWs) bands (ev): -19.1251 -19.1251 -18.9790 -18.9790 -4.5957 -4.5957 -4.1416 -4.1416 -2.7876 -2.7876 -2.2123 -2.2123 3.9794 3.9794 4.1113 4.1113 10.2937 10.2937 11.1135 11.1135 11.2701 11.2701 12.6661 12.6661 15.1888 15.1888 16.6300 16.6300 k = 0.5000 0.2887 0.3101 ( 1760 PWs) bands (ev): -19.1774 -19.1774 -19.0313 -19.0313 -4.6395 -4.6395 -4.1846 -4.1846 -2.8335 -2.8335 -2.2577 -2.2577 4.2949 4.2949 4.4281 4.4281 10.2438 10.2438 11.0551 11.0551 11.2220 11.2220 12.6126 12.6126 15.1428 15.1428 16.5889 16.5889 k = 0.5000 0.2887 0.2919 ( 1768 PWs) bands (ev): -19.2266 -19.2266 -19.0806 -19.0806 -4.6810 -4.6810 -4.2255 -4.2255 -2.8770 -2.8770 -2.3008 -2.3008 4.6079 4.6079 4.7423 4.7423 10.1967 10.1967 10.9980 10.9980 11.1767 11.1767 12.5600 12.5600 15.0993 15.0993 16.5482 16.5482 k = 0.5000 0.2887 0.2737 ( 1764 PWs) bands (ev): -19.2729 -19.2729 -19.1270 -19.1270 -4.7202 -4.7202 -4.2642 -4.2642 -2.9180 -2.9180 -2.3415 -2.3415 4.9176 4.9176 5.0530 5.0530 10.1521 10.1521 10.9418 10.9418 11.1341 11.1341 12.5083 12.5083 15.0583 15.0583 16.5088 16.5089 k = 0.5000 0.2887 0.2554 ( 1760 PWs) bands (ev): -19.3162 -19.3162 -19.1703 -19.1703 -4.7571 -4.7571 -4.3006 -4.3006 -2.9566 -2.9566 -2.3797 -2.3797 5.2232 5.2232 5.3593 5.3593 10.1103 10.1103 10.8865 10.8865 11.0943 11.0943 12.4575 12.4575 15.0199 15.0199 16.4714 16.4714 k = 0.5000 0.2887 0.2372 ( 1754 PWs) bands (ev): -19.3566 -19.3566 -19.2107 -19.2107 -4.7916 -4.7916 -4.3347 -4.3347 -2.9926 -2.9926 -2.4155 -2.4155 5.5238 5.5238 5.6602 5.6602 10.0710 10.0710 10.8318 10.8318 11.0572 11.0572 12.4074 12.4074 14.9842 14.9842 16.4360 16.4360 k = 0.5000 0.2887 0.2189 ( 1754 PWs) bands (ev): -19.3939 -19.3939 -19.2481 -19.2481 -4.8236 -4.8236 -4.3664 -4.3664 -3.0260 -3.0260 -2.4487 -2.4487 5.8180 5.8180 5.9545 5.9545 10.0343 10.0343 10.7775 10.7775 11.0228 11.0228 12.3580 12.3580 14.9510 14.9510 16.4028 16.4028 k = 0.5000 0.2887 0.2007 ( 1758 PWs) bands (ev): -19.4283 -19.4283 -19.2825 -19.2825 -4.8533 -4.8533 -4.3957 -4.3957 -3.0569 -3.0569 -2.4793 -2.4793 6.1046 6.1046 6.2406 6.2406 10.0001 10.0001 10.7234 10.7234 10.9912 10.9912 12.3093 12.3093 14.9205 14.9205 16.3719 16.3719 k = 0.5000 0.2887 0.1824 ( 1758 PWs) bands (ev): -19.4597 -19.4597 -19.3139 -19.3139 -4.8804 -4.8804 -4.4225 -4.4225 -3.0851 -3.0851 -2.5073 -2.5073 6.3822 6.3822 6.5171 6.5171 9.9685 9.9685 10.6692 10.6692 10.9623 10.9623 12.2612 12.2612 14.8926 14.8926 16.3433 16.3433 k = 0.5000 0.2887 0.1642 ( 1758 PWs) bands (ev): -19.4881 -19.4881 -19.3423 -19.3423 -4.9050 -4.9050 -4.4469 -4.4469 -3.1107 -3.1107 -2.5328 -2.5328 6.6490 6.6490 6.7819 6.7819 9.9393 9.9393 10.6149 10.6149 10.9362 10.9362 12.2138 12.2138 14.8674 14.8674 16.3170 16.3170 k = 0.5000 0.2887 0.1459 ( 1750 PWs) bands (ev): -19.5135 -19.5135 -19.3677 -19.3677 -4.9271 -4.9271 -4.4688 -4.4688 -3.1337 -3.1337 -2.5556 -2.5556 6.9028 6.9028 7.0327 7.0327 9.9126 9.9126 10.5605 10.5605 10.9128 10.9128 12.1673 12.1673 14.8449 14.8449 16.2930 16.2930 k = 0.5000 0.2887 0.1277 ( 1756 PWs) bands (ev): -19.5359 -19.5359 -19.3902 -19.3902 -4.9467 -4.9467 -4.4881 -4.4881 -3.1540 -3.1540 -2.5758 -2.5758 7.1412 7.1412 7.2669 7.2669 9.8883 9.8883 10.5062 10.5062 10.8923 10.8923 12.1222 12.1222 14.8250 14.8250 16.2714 16.2714 k = 0.5000 0.2887 0.1095 ( 1756 PWs) bands (ev): -19.5554 -19.5554 -19.4096 -19.4096 -4.9636 -4.9636 -4.5049 -4.5049 -3.1716 -3.1716 -2.5933 -2.5933 7.3614 7.3614 7.4814 7.4814 9.8664 9.8664 10.4526 10.4526 10.8744 10.8744 12.0789 12.0789 14.8078 14.8078 16.2521 16.2521 k = 0.5000 0.2887 0.0912 ( 1754 PWs) bands (ev): -19.5718 -19.5718 -19.4261 -19.4261 -4.9780 -4.9780 -4.5192 -4.5192 -3.1865 -3.1865 -2.6081 -2.6081 7.5599 7.5599 7.6728 7.6728 9.8471 9.8471 10.4006 10.4006 10.8594 10.8594 12.0386 12.0386 14.7933 14.7933 16.2353 16.2353 k = 0.5000 0.2887 0.0730 ( 1746 PWs) bands (ev): -19.5852 -19.5852 -19.4395 -19.4395 -4.9898 -4.9898 -4.5308 -4.5308 -3.1987 -3.1987 -2.6202 -2.6202 7.7327 7.7327 7.8371 7.8371 9.8306 9.8306 10.3520 10.3520 10.8471 10.8471 12.0024 12.0024 14.7815 14.7815 16.2210 16.2211 k = 0.5000 0.2887 0.0547 ( 1742 PWs) bands (ev): -19.5957 -19.5957 -19.4500 -19.4500 -4.9990 -4.9990 -4.5399 -4.5399 -3.2082 -3.2082 -2.6297 -2.6297 7.8751 7.8751 7.9704 7.9704 9.8170 9.8170 10.3091 10.3091 10.8375 10.8375 11.9717 11.9717 14.7723 14.7723 16.2096 16.2096 k = 0.5000 0.2887 0.0365 ( 1746 PWs) bands (ev): -19.6032 -19.6032 -19.4575 -19.4575 -5.0055 -5.0055 -4.5464 -4.5464 -3.2150 -3.2150 -2.6365 -2.6365 7.9823 7.9823 8.0688 8.0688 9.8069 9.8069 10.2750 10.2750 10.8307 10.8307 11.9483 11.9483 14.7657 14.7657 16.2011 16.2011 k = 0.5000 0.2887 0.0182 ( 1752 PWs) bands (ev): -19.6077 -19.6077 -19.4620 -19.4620 -5.0095 -5.0095 -4.5503 -4.5503 -3.2191 -3.2191 -2.6405 -2.6405 8.0492 8.0492 8.1290 8.1290 9.8007 9.8007 10.2528 10.2528 10.8266 10.8266 11.9335 11.9335 14.7618 14.7618 16.1959 16.1959 k = 0.5000 0.2887-0.0000 ( 1752 PWs) bands (ev): -19.6092 -19.6092 -19.4635 -19.4635 -5.0108 -5.0108 -4.5516 -4.5516 -3.2205 -3.2205 -2.6419 -2.6419 8.0720 8.0720 8.1494 8.1494 9.7985 9.7985 10.2451 10.2451 10.8252 10.8252 11.9285 11.9285 14.7605 14.7605 16.1941 16.1941 k = 0.3333 0.5774-0.0000 ( 1773 PWs) bands (ev): -19.5372 -19.5372 -19.5369 -19.5369 -5.0267 -5.0267 -4.5062 -4.5062 -3.2719 -3.2719 -2.6117 -2.6117 8.0988 8.0988 8.1263 8.1263 9.4774 9.4774 10.6908 10.6908 10.6915 10.6915 13.2785 13.2785 13.3050 13.3050 14.2170 14.2170 k = 0.3333 0.5774 0.0182 ( 1770 PWs) bands (ev): -19.5357 -19.5357 -19.5354 -19.5354 -5.0254 -5.0254 -4.5049 -4.5049 -3.2705 -3.2705 -2.6104 -2.6104 8.0775 8.0775 8.1048 8.1048 9.4788 9.4788 10.6969 10.6969 10.6975 10.6975 13.2812 13.2812 13.3082 13.3082 14.2181 14.2181 k = 0.3333 0.5774 0.0365 ( 1764 PWs) bands (ev): -19.5312 -19.5312 -19.5309 -19.5309 -5.0214 -5.0214 -4.5011 -4.5011 -3.2663 -3.2663 -2.6064 -2.6064 8.0146 8.0146 8.0412 8.0412 9.4830 9.4830 10.7146 10.7146 10.7147 10.7147 13.2891 13.2891 13.3176 13.3176 14.2215 14.2215 k = 0.3333 0.5774 0.0547 ( 1764 PWs) bands (ev): -19.5237 -19.5237 -19.5235 -19.5235 -5.0148 -5.0148 -4.4947 -4.4947 -3.2594 -3.2594 -2.5997 -2.5997 7.9128 7.9128 7.9383 7.9383 9.4899 9.4899 10.7416 10.7416 10.7422 10.7422 13.3019 13.3019 13.3329 13.3329 14.2272 14.2272 k = 0.3333 0.5774 0.0730 ( 1770 PWs) bands (ev): -19.5132 -19.5132 -19.5130 -19.5130 -5.0056 -5.0056 -4.4858 -4.4858 -3.2497 -3.2497 -2.5903 -2.5903 7.7758 7.7758 7.8001 7.8001 9.4996 9.4996 10.7761 10.7761 10.7775 10.7775 13.3192 13.3192 13.3535 13.3535 14.2351 14.2351 k = 0.3333 0.5774 0.0912 ( 1770 PWs) bands (ev): -19.4998 -19.4998 -19.4995 -19.4995 -4.9937 -4.9937 -4.4743 -4.4743 -3.2372 -3.2372 -2.5783 -2.5783 7.6081 7.6081 7.6311 7.6311 9.5122 9.5122 10.8159 10.8159 10.8181 10.8181 13.3406 13.3406 13.3787 13.3787 14.2454 14.2454 k = 0.3333 0.5774 0.1095 ( 1764 PWs) bands (ev): -19.4833 -19.4833 -19.4831 -19.4831 -4.9792 -4.9792 -4.4603 -4.4603 -3.2219 -3.2219 -2.5637 -2.5637 7.4139 7.4139 7.4355 7.4355 9.5276 9.5276 10.8592 10.8592 10.8621 10.8621 13.3655 13.3655 13.4079 13.4079 14.2581 14.2581 k = 0.3333 0.5774 0.1277 ( 1758 PWs) bands (ev): -19.4638 -19.4638 -19.4636 -19.4636 -4.9621 -4.9621 -4.4438 -4.4438 -3.2040 -3.2040 -2.5464 -2.5464 7.1971 7.1971 7.2174 7.2174 9.5458 9.5458 10.9047 10.9047 10.9083 10.9083 13.3935 13.3935 13.4404 13.4404 14.2732 14.2732 k = 0.3333 0.5774 0.1459 ( 1752 PWs) bands (ev): -19.4414 -19.4414 -19.4412 -19.4412 -4.9424 -4.9424 -4.4248 -4.4248 -3.1832 -3.1832 -2.5265 -2.5265 6.9612 6.9612 6.9802 6.9802 9.5668 9.5668 10.9515 10.9515 10.9557 10.9557 13.4241 13.4241 13.4757 13.4757 14.2906 14.2906 k = 0.3333 0.5774 0.1642 ( 1776 PWs) bands (ev): -19.4160 -19.4160 -19.4158 -19.4158 -4.9202 -4.9202 -4.4033 -4.4033 -3.1598 -3.1598 -2.5040 -2.5040 6.7091 6.7091 6.7271 6.7271 9.5907 9.5907 10.9991 10.9991 11.0037 11.0037 13.4571 13.4571 13.5134 13.5134 14.3103 14.3103 k = 0.3333 0.5774 0.1824 ( 1776 PWs) bands (ev): -19.3876 -19.3876 -19.3874 -19.3874 -4.8954 -4.8954 -4.3794 -4.3794 -3.1336 -3.1336 -2.4789 -2.4789 6.4436 6.4436 6.4606 6.4606 9.6173 9.6173 11.0472 11.0472 11.0523 11.0523 13.4922 13.4922 13.5532 13.5532 14.3325 14.3325 k = 0.3333 0.5774 0.2007 ( 1770 PWs) bands (ev): -19.3562 -19.3562 -19.3560 -19.3560 -4.8680 -4.8680 -4.3530 -4.3530 -3.1047 -3.1047 -2.4512 -2.4512 6.1667 6.1667 6.1830 6.1830 9.6468 9.6468 11.0958 11.0958 11.1013 11.1013 13.5292 13.5292 13.5947 13.5947 14.3569 14.3569 k = 0.3333 0.5774 0.2189 ( 1770 PWs) bands (ev): -19.3218 -19.3218 -19.3216 -19.3216 -4.8382 -4.8382 -4.3243 -4.3243 -3.0731 -3.0731 -2.4210 -2.4210 5.8804 5.8804 5.8960 5.8960 9.6791 9.6791 11.1449 11.1449 11.1508 11.1508 13.5681 13.5681 13.6380 13.6380 14.3835 14.3835 k = 0.3333 0.5774 0.2372 ( 1761 PWs) bands (ev): -19.2844 -19.2844 -19.2842 -19.2842 -4.8058 -4.8058 -4.2932 -4.2932 -3.0388 -3.0388 -2.3883 -2.3883 5.5862 5.5862 5.6013 5.6013 9.7143 9.7143 11.1948 11.1948 11.2011 11.2011 13.6088 13.6088 13.6830 13.6830 14.4122 14.4122 k = 0.3333 0.5774 0.2554 ( 1761 PWs) bands (ev): -19.2441 -19.2441 -19.2439 -19.2439 -4.7711 -4.7711 -4.2598 -4.2598 -3.0019 -3.0019 -2.3531 -2.3531 5.2855 5.2855 5.3002 5.3002 9.7522 9.7522 11.2455 11.2455 11.2521 11.2521 13.6513 13.6513 13.7295 13.7295 14.4430 14.4430 k = 0.3333 0.5774 0.2737 ( 1761 PWs) bands (ev): -19.2008 -19.2008 -19.2005 -19.2005 -4.7339 -4.7339 -4.2241 -4.2241 -2.9623 -2.9623 -2.3155 -2.3155 4.9795 4.9795 4.9939 4.9939 9.7929 9.7929 11.2972 11.2972 11.3043 11.3043 13.6954 13.6954 13.7775 13.7775 14.4755 14.4755 k = 0.3333 0.5774 0.2919 ( 1761 PWs) bands (ev): -19.1544 -19.1544 -19.1542 -19.1542 -4.6943 -4.6943 -4.1863 -4.1863 -2.9201 -2.9201 -2.2755 -2.2755 4.6692 4.6692 4.6834 4.6834 9.8364 9.8364 11.3501 11.3501 11.3576 11.3576 13.7412 13.7412 13.8271 13.8271 14.5097 14.5097 k = 0.3333 0.5774 0.3101 ( 1767 PWs) bands (ev): -19.1052 -19.1052 -19.1049 -19.1049 -4.6524 -4.6524 -4.1463 -4.1463 -2.8754 -2.8754 -2.2332 -2.2332 4.3555 4.3555 4.3697 4.3697 9.8827 9.8827 11.4043 11.4043 11.4123 11.4123 13.7887 13.7887 13.8783 13.8783 14.5453 14.5453 k = 0.3333 0.5774 0.3284 ( 1773 PWs) bands (ev): -19.0529 -19.0529 -19.0527 -19.0527 -4.6082 -4.6082 -4.1042 -4.1042 -2.8281 -2.8281 -2.1886 -2.1886 4.0391 4.0391 4.0535 4.0535 9.9318 9.9318 11.4600 11.4600 11.4685 11.4685 13.8378 13.8378 13.9310 13.9310 14.5820 14.5820 k = 0.3333 0.5774 0.3466 ( 1773 PWs) bands (ev): -18.9977 -18.9977 -18.9975 -18.9975 -4.5619 -4.5619 -4.0602 -4.0602 -2.7782 -2.7782 -2.1418 -2.1418 3.7209 3.7209 3.7356 3.7356 9.9837 9.9837 11.5172 11.5172 11.5263 11.5263 13.8885 13.8885 13.9852 13.9852 14.6194 14.6194 k = 0.3333 0.5774 0.3649 ( 1761 PWs) bands (ev): -18.9395 -18.9395 -18.9393 -18.9393 -4.5134 -4.5134 -4.0143 -4.0143 -2.7258 -2.7258 -2.0929 -2.0929 3.4013 3.4013 3.4166 3.4166 10.0384 10.0384 11.5762 11.5762 11.5859 11.5859 13.9406 13.9406 14.0409 14.0409 14.6571 14.6571 k = 0.3333 0.5774 0.3831 ( 1761 PWs) bands (ev): -18.8783 -18.8783 -18.8781 -18.8781 -4.4628 -4.4628 -3.9666 -3.9666 -2.6710 -2.6710 -2.0420 -2.0420 3.0811 3.0811 3.0970 3.0970 10.0958 10.0958 11.6368 11.6368 11.6473 11.6473 13.9941 13.9941 14.0980 14.0980 14.6942 14.6942 k = 0.3333 0.5774 0.4014 ( 1761 PWs) bands (ev): -18.8142 -18.8142 -18.8140 -18.8140 -4.4102 -4.4102 -3.9173 -3.9173 -2.6138 -2.6138 -1.9891 -1.9891 2.7606 2.7606 2.7776 2.7776 10.1560 10.1560 11.6992 11.6992 11.7106 11.7106 14.0488 14.0488 14.1564 14.1564 14.7302 14.7302 k = 0.3333 0.5774 0.4196 ( 1761 PWs) bands (ev): -18.7472 -18.7472 -18.7469 -18.7469 -4.3559 -4.3559 -3.8665 -3.8665 -2.5541 -2.5541 -1.9346 -1.9346 2.4405 2.4405 2.4588 2.4588 10.2190 10.2190 11.7634 11.7634 11.7758 11.7758 14.1045 14.1045 14.2159 14.2159 14.7638 14.7638 k = 0.3333 0.5774 0.4378 ( 1761 PWs) bands (ev): -18.6772 -18.6772 -18.6769 -18.6769 -4.2997 -4.2997 -3.8144 -3.8144 -2.4922 -2.4922 -1.8785 -1.8785 2.1212 2.1212 2.1413 2.1413 10.2847 10.2847 11.8294 11.8294 11.8429 11.8429 14.1609 14.1609 14.2764 14.2764 14.7936 14.7936 k = 0.3333 0.5774 0.4561 ( 1758 PWs) bands (ev): -18.6042 -18.6042 -18.6040 -18.6040 -4.2421 -4.2421 -3.7613 -3.7613 -2.4280 -2.4280 -1.8211 -1.8211 1.8032 1.8032 1.8258 1.8258 10.3531 10.3531 11.8972 11.8972 11.9121 11.9121 14.2177 14.2177 14.3375 14.3375 14.8177 14.8177 k = 0.3333 0.5774 0.4743 ( 1758 PWs) bands (ev): -18.5284 -18.5284 -18.5281 -18.5281 -4.1830 -4.1830 -3.7075 -3.7075 -2.3616 -2.3616 -1.7629 -1.7629 1.4871 1.4871 1.5130 1.5130 10.4243 10.4243 11.9668 11.9668 11.9832 11.9832 14.2744 14.2744 14.3989 14.3989 14.8336 14.8336 k = 0.3333 0.5774 0.4926 ( 1758 PWs) bands (ev): -18.4496 -18.4496 -18.4494 -18.4494 -4.1228 -4.1228 -3.6533 -3.6533 -2.2930 -2.2930 -1.7043 -1.7043 1.1734 1.1734 1.2038 1.2038 10.4981 10.4981 12.0382 12.0382 12.0563 12.0563 14.3305 14.3305 14.4601 14.4601 14.8380 14.8380 k = 0.3333 0.5774 0.5108 ( 1758 PWs) bands (ev): -18.3679 -18.3679 -18.3677 -18.3677 -4.0617 -4.0617 -3.5992 -3.5992 -2.2225 -2.2225 -1.6462 -1.6462 0.8628 0.8628 0.8995 0.8995 10.5747 10.5747 12.1111 12.1111 12.1313 12.1313 14.3851 14.3851 14.5202 14.5202 14.8269 14.8269 k = 0.3333 0.5774 0.5291 ( 1755 PWs) bands (ev): -18.2833 -18.2833 -18.2831 -18.2831 -4.0002 -4.0002 -3.5459 -3.5459 -2.1501 -2.1501 -1.5897 -1.5897 0.5561 0.5561 0.6020 0.6020 10.6539 10.6539 12.1855 12.1855 12.2081 12.2081 14.4372 14.4372 14.5781 14.5781 14.7959 14.7959 k = 0.3333 0.5774 0.5473 ( 1758 PWs) bands (ev): -18.1959 -18.1959 -18.1957 -18.1957 -3.9387 -3.9387 -3.4942 -3.4942 -2.0761 -2.0761 -1.5369 -1.5369 0.2542 0.2542 0.3139 0.3139 10.7358 10.7358 12.2612 12.2612 12.2867 12.2867 14.4854 14.4854 14.6311 14.6311 14.7419 14.7419 k = 0.3333 0.5774 0.5655 ( 1758 PWs) bands (ev): -18.1056 -18.1056 -18.1053 -18.1053 -3.8780 -3.8780 -3.4453 -3.4453 -2.0008 -2.0008 -1.4914 -1.4914 -0.0416 -0.0416 0.0399 0.0399 10.8203 10.8203 12.3379 12.3379 12.3669 12.3669 14.5281 14.5281 14.6392 14.6392 14.6994 14.6994 k = 0.3333 0.5774 0.5838 ( 1758 PWs) bands (ev): -18.0124 -18.0124 -18.0122 -18.0122 -3.8189 -3.8189 -3.4006 -3.4006 -1.9249 -1.9249 -1.4596 -1.4596 -0.3296 -0.3296 -0.2119 -0.2119 10.9073 10.9073 12.4152 12.4152 12.4484 12.4484 14.5332 14.5332 14.5627 14.5627 14.7344 14.7344 k = 0.3333 0.5774 0.6020 ( 1764 PWs) bands (ev): -17.9164 -17.9164 -17.9162 -17.9162 -3.7628 -3.7628 -3.3627 -3.3627 -1.8505 -1.8505 -1.4525 -1.4525 -0.6075 -0.6075 -0.4274 -0.4274 10.9969 10.9969 12.4927 12.4927 12.5310 12.5310 14.3913 14.3913 14.5866 14.5866 14.7669 14.7669 k = 0.3333 0.5774 0.6203 ( 1770 PWs) bands (ev): -17.8177 -17.8177 -17.8174 -17.8174 -3.7118 -3.7118 -3.3345 -3.3345 -1.7835 -1.7835 -1.4827 -1.4827 -0.8719 -0.8719 -0.5860 -0.5860 11.0889 11.0889 12.5695 12.5695 12.6142 12.6142 14.2244 14.2244 14.5965 14.5965 14.7860 14.7860 k = 0.3333 0.5774 0.6385 ( 1770 PWs) bands (ev): -17.7161 -17.7161 -17.7158 -17.7158 -3.6687 -3.6687 -3.3208 -3.3208 -1.7534 -1.7534 -1.5334 -1.5334 -1.1183 -1.1183 -0.6722 -0.6722 11.1833 11.1833 12.6448 12.6448 12.6975 12.6975 14.0380 14.0380 14.5891 14.5891 14.7866 14.7866 k = 0.3333 0.5774 0.6568 ( 1770 PWs) bands (ev): -17.6118 -17.6118 -17.6115 -17.6115 -3.6380 -3.6380 -3.3277 -3.3277 -1.8309 -1.8309 -1.5223 -1.5223 -1.3403 -1.3403 -0.6933 -0.6933 11.2800 11.2800 12.7169 12.7169 12.7800 12.7800 13.8372 13.8372 14.5620 14.5620 14.7638 14.7638 k = 0.3333 0.5774 0.6750 ( 1770 PWs) bands (ev): -17.5048 -17.5048 -17.5045 -17.5045 -3.6266 -3.6266 -3.3630 -3.3630 -1.9796 -1.9796 -1.5303 -1.5303 -1.4569 -1.4569 -0.6717 -0.6717 11.3786 11.3786 12.7838 12.7838 12.8602 12.8602 13.6267 13.6267 14.5154 14.5154 14.7147 14.7147 k = 0.3333 0.5774 0.6932 ( 1752 PWs) bands (ev): -17.3950 -17.3950 -17.3948 -17.3948 -3.6436 -3.6436 -3.4343 -3.4343 -2.1333 -2.1333 -1.6805 -1.6805 -1.3762 -1.3762 -0.6252 -0.6252 11.4788 11.4788 12.8423 12.8423 12.9361 12.9361 13.4102 13.4102 14.4525 14.4525 14.6402 14.6402 k = 0.3333 0.5774 0.7115 ( 1758 PWs) bands (ev): -17.2827 -17.2827 -17.2825 -17.2825 -3.6997 -3.6997 -3.5463 -3.5463 -2.2618 -2.2618 -1.7864 -1.7864 -1.2899 -1.2899 -0.5645 -0.5645 11.5801 11.5801 12.8878 12.8878 13.0039 13.0039 13.1913 13.1913 14.3805 14.3805 14.5459 14.5459 k = 0.3333 0.5774 0.7297 ( 1758 PWs) bands (ev): -17.1678 -17.1678 -17.1675 -17.1675 -3.8023 -3.8023 -3.6979 -3.6979 -2.3495 -2.3495 -1.8489 -1.8489 -1.2005 -1.2005 -0.4949 -0.4949 11.6812 11.6812 12.9142 12.9142 12.9687 12.9687 13.0634 13.0634 14.3099 14.3099 14.4422 14.4422 k = 0.3333 0.5774 0.7480 ( 1770 PWs) bands (ev): -17.0504 -17.0504 -17.0501 -17.0501 -3.9506 -3.9506 -3.8830 -3.8830 -2.3934 -2.3934 -1.8742 -1.8742 -1.1092 -1.1092 -0.4197 -0.4197 11.7792 11.7792 12.7561 12.7561 12.9143 12.9143 13.0973 13.0973 14.2524 14.2524 14.3428 14.3428 k = 0.3333 0.5774 0.7662 ( 1770 PWs) bands (ev): -16.9304 -16.9304 -16.9302 -16.9302 -4.1365 -4.1365 -4.0935 -4.0935 -2.3996 -2.3996 -1.8705 -1.8705 -1.0165 -1.0165 -0.3405 -0.3405 11.8664 11.8664 12.5558 12.5558 12.8820 12.8820 13.1020 13.1020 14.2189 14.2189 14.2634 14.2634 k = 0.3333 0.5774 0.7845 ( 1767 PWs) bands (ev): -16.8081 -16.8081 -16.8078 -16.8078 -4.3492 -4.3492 -4.3215 -4.3215 -2.3778 -2.3778 -1.8454 -1.8454 -0.9227 -0.9227 -0.2586 -0.2586 11.9171 11.9171 12.3957 12.3957 12.8150 12.8150 13.0667 13.0667 14.2151 14.2151 14.2181 14.2181 k = 0.3333 0.5774 0.8027 ( 1767 PWs) bands (ev): -16.6835 -16.6835 -16.6832 -16.6832 -4.5794 -4.5794 -4.5612 -4.5612 -2.3365 -2.3365 -1.8052 -1.8052 -0.8281 -0.8281 -0.1748 -0.1748 11.8709 11.8709 12.3372 12.3372 12.7164 12.7164 12.9884 12.9884 14.2133 14.2133 14.2411 14.2411 k = 0.3333 0.5774 0.8210 ( 1767 PWs) bands (ev): -16.5566 -16.5566 -16.5563 -16.5563 -4.8204 -4.8204 -4.8082 -4.8082 -2.2819 -2.2819 -1.7540 -1.7540 -0.7330 -0.7330 -0.0896 -0.0896 11.7225 11.7225 12.3857 12.3857 12.5927 12.5927 12.8731 12.8731 14.2452 14.2452 14.2926 14.2926 k = 0.3333 0.5774 0.8392 ( 1767 PWs) bands (ev): -16.4276 -16.4276 -16.4273 -16.4273 -5.0677 -5.0677 -5.0592 -5.0592 -2.2183 -2.2183 -1.6952 -1.6952 -0.6375 -0.6375 -0.0035 -0.0035 11.5343 11.5343 12.4511 12.4511 12.4789 12.4789 12.7323 12.7323 14.3048 14.3048 14.3641 14.3641 k = 0.3333 0.5774 0.8574 ( 1761 PWs) bands (ev): -16.2965 -16.2965 -16.2962 -16.2962 -5.3183 -5.3183 -5.3122 -5.3122 -2.1485 -2.1485 -1.6309 -1.6309 -0.5420 -0.5420 0.0830 0.0830 11.3353 11.3353 12.2979 12.2979 12.5509 12.5509 12.6127 12.6127 14.3811 14.3811 14.4509 14.4509 k = 0.3333 0.5774 0.8757 ( 1761 PWs) bands (ev): -16.1636 -16.1636 -16.1634 -16.1634 -5.5700 -5.5700 -5.5656 -5.5656 -2.0746 -2.0746 -1.5627 -1.5627 -0.4466 -0.4466 0.1697 0.1697 11.1348 11.1348 12.1377 12.1377 12.3981 12.3981 12.7164 12.7164 14.4425 14.4425 14.5494 14.5494 k = 0.3333 0.5774 0.8939 ( 1764 PWs) bands (ev): -16.0291 -16.0291 -16.0288 -16.0288 -5.8213 -5.8213 -5.8180 -5.8180 -1.9979 -1.9979 -1.4920 -1.4920 -0.3517 -0.3517 0.2561 0.2561 10.9362 10.9362 11.9741 11.9741 12.2253 12.2253 12.8401 12.8401 14.3249 14.3249 14.6163 14.6163 k = 0.3333 0.5774 0.9122 ( 1770 PWs) bands (ev): -15.8930 -15.8930 -15.8926 -15.8926 -6.0712 -6.0712 -6.0686 -6.0686 -1.9195 -1.9195 -1.4196 -1.4196 -0.2574 -0.2574 0.3419 0.3419 10.7413 10.7413 11.8096 11.8096 12.0502 12.0502 12.9684 12.9684 14.1383 14.1383 14.7214 14.7214 k = 0.3333 0.5774 0.9304 ( 1770 PWs) bands (ev): -15.7555 -15.7555 -15.7552 -15.7552 -6.3186 -6.3186 -6.3166 -6.3166 -1.8403 -1.8403 -1.3464 -1.3464 -0.1642 -0.1642 0.4269 0.4269 10.5510 10.5510 11.6463 11.6463 11.8755 11.8755 13.0998 13.0998 13.9518 13.9518 14.8391 14.8391 k = 0.3333 0.5774 0.9487 ( 1770 PWs) bands (ev): -15.6170 -15.6170 -15.6167 -15.6167 -6.5629 -6.5629 -6.5613 -6.5613 -1.7610 -1.7610 -1.2730 -1.2730 -0.0722 -0.0722 0.5107 0.5107 10.3662 10.3662 11.4854 11.4854 11.7032 11.7032 13.2338 13.2338 13.7707 13.7707 14.9634 14.9634 k = 0.3333 0.5774 0.9669 ( 1776 PWs) bands (ev): -15.4778 -15.4778 -15.4775 -15.4775 -6.8033 -6.8033 -6.8020 -6.8020 -1.6822 -1.6822 -1.2001 -1.2001 0.0181 0.0181 0.5930 0.5930 10.1874 10.1874 11.3283 11.3283 11.5346 11.5346 13.3697 13.3697 13.5963 13.5963 15.0923 15.0923 k = 0.3333 0.5774 0.9851 ( 1776 PWs) bands (ev): -15.3382 -15.3382 -15.3378 -15.3378 -7.0392 -7.0392 -7.0382 -7.0382 -1.6044 -1.6044 -1.1282 -1.1282 0.1065 0.1065 0.6734 0.6734 10.0153 10.0153 11.1758 11.1758 11.3707 11.3707 13.4284 13.4284 13.5080 13.5080 15.2250 15.2250 k = 0.3333 0.5774 1.0034 ( 1776 PWs) bands (ev): -15.1985 -15.1985 -15.1981 -15.1981 -7.2701 -7.2701 -7.2692 -7.2692 -1.5282 -1.5282 -1.0577 -1.0577 0.1926 0.1926 0.7515 0.7515 9.8502 9.8502 11.0289 11.0289 11.2124 11.2124 13.2692 13.2692 13.6469 13.6469 15.3607 15.3607 k = 0.3333 0.5774 1.0216 ( 1764 PWs) bands (ev): -15.0593 -15.0593 -15.0589 -15.0589 -7.4951 -7.4951 -7.4943 -7.4943 -1.4540 -1.4540 -0.9891 -0.9891 0.2759 0.2759 0.8271 0.8271 9.6927 9.6927 10.8882 10.8882 11.0605 11.0605 13.1177 13.1177 13.7871 13.7871 15.4991 15.4991 k = 0.3333 0.5774 1.0399 ( 1758 PWs) bands (ev): -14.9211 -14.9211 -14.9208 -14.9208 -7.7136 -7.7136 -7.7129 -7.7129 -1.3824 -1.3824 -0.9230 -0.9230 0.3562 0.3562 0.8998 0.8998 9.5432 9.5432 10.7543 10.7543 10.9157 10.9157 12.9747 12.9747 13.9280 13.9280 15.6394 15.6394 k = 0.3333 0.5774 1.0581 ( 1764 PWs) bands (ev): -14.7847 -14.7847 -14.7843 -14.7843 -7.9248 -7.9248 -7.9242 -7.9242 -1.3138 -1.3138 -0.8596 -0.8596 0.4329 0.4329 0.9692 0.9692 9.4022 9.4022 10.6278 10.6278 10.7786 10.7786 12.8404 12.8404 14.0690 14.0690 15.7814 15.7814 k = 0.3333 0.5774 1.0764 ( 1764 PWs) bands (ev): -14.6508 -14.6508 -14.6504 -14.6504 -8.1277 -8.1277 -8.1272 -8.1272 -1.2485 -1.2485 -0.7995 -0.7995 0.5057 0.5057 1.0349 1.0349 9.2703 9.2703 10.5094 10.5094 10.6499 10.6499 12.7152 12.7152 14.2095 14.2095 15.9244 15.9244 k = 0.3333 0.5774 1.0946 ( 1764 PWs) bands (ev): -14.5203 -14.5203 -14.5199 -14.5199 -8.3215 -8.3215 -8.3210 -8.3210 -1.1872 -1.1872 -0.7430 -0.7430 0.5741 0.5741 1.0965 1.0965 9.1478 9.1478 10.3993 10.3993 10.5300 10.5300 12.5995 12.5995 14.3487 14.3487 16.0678 16.0678 k = 0.3333 0.5774 1.1128 ( 1776 PWs) bands (ev): -14.3945 -14.3945 -14.3941 -14.3941 -8.5048 -8.5048 -8.5043 -8.5043 -1.1301 -1.1301 -0.6905 -0.6905 0.6377 0.6377 1.1537 1.1537 9.0351 9.0351 10.2983 10.2983 10.4196 10.4196 12.4937 12.4937 14.4858 14.4858 16.2108 16.2108 k = 0.3333 0.5774 1.1311 ( 1776 PWs) bands (ev): -14.2745 -14.2745 -14.2741 -14.2741 -8.6763 -8.6763 -8.6759 -8.6759 -1.0778 -1.0778 -0.6424 -0.6424 0.6960 0.6960 1.2061 1.2061 8.9329 8.9329 10.2066 10.2066 10.3192 10.3192 12.3979 12.3979 14.6195 14.6195 16.3523 16.3523 k = 0.3333 0.5774 1.1493 ( 1770 PWs) bands (ev): -14.1619 -14.1619 -14.1615 -14.1615 -8.8345 -8.8345 -8.8340 -8.8340 -1.0305 -1.0305 -0.5991 -0.5991 0.7486 0.7486 1.2533 1.2533 8.8415 8.8415 10.1246 10.1246 10.2293 10.2293 12.3127 12.3127 14.7482 14.7482 16.4911 16.4911 k = 0.3333 0.5774 1.1676 ( 1764 PWs) bands (ev): -14.0584 -14.0584 -14.0579 -14.0579 -8.9776 -8.9776 -8.9771 -8.9771 -0.9888 -0.9888 -0.5608 -0.5608 0.7952 0.7952 1.2951 1.2951 8.7613 8.7613 10.0528 10.0528 10.1503 10.1503 12.2381 12.2381 14.8700 14.8700 16.6252 16.6252 k = 0.3333 0.5774 1.1858 ( 1770 PWs) bands (ev): -13.9659 -13.9659 -13.9654 -13.9654 -9.1036 -9.1036 -9.1032 -9.1032 -0.9528 -0.9528 -0.5278 -0.5278 0.8353 0.8353 1.3309 1.3309 8.6927 8.6927 9.9915 9.9915 10.0827 10.0827 12.1745 12.1745 14.9823 14.9823 16.7521 16.7521 k = 0.3333 0.5774 1.2041 ( 1770 PWs) bands (ev): -13.8864 -13.8864 -13.8859 -13.8859 -9.2107 -9.2107 -9.2102 -9.2102 -0.9229 -0.9229 -0.5005 -0.5005 0.8687 0.8687 1.3607 1.3607 8.6360 8.6360 9.9409 9.9409 10.0268 10.0268 12.1222 12.1222 15.0821 15.0821 16.8682 16.8682 k = 0.3333 0.5774 1.2223 ( 1773 PWs) bands (ev): -13.8218 -13.8218 -13.8213 -13.8213 -9.2966 -9.2966 -9.2962 -9.2962 -0.8994 -0.8994 -0.4790 -0.4790 0.8949 0.8949 1.3842 1.3842 8.5917 8.5917 9.9013 9.9013 9.9830 9.9830 12.0812 12.0812 15.1658 15.1658 16.9689 16.9689 k = 0.3333 0.5774 1.2406 ( 1773 PWs) bands (ev): -13.7741 -13.7741 -13.7736 -13.7736 -9.3596 -9.3596 -9.3592 -9.3592 -0.8825 -0.8825 -0.4635 -0.4635 0.9138 0.9138 1.4010 1.4010 8.5598 8.5598 9.8728 9.8728 9.9515 9.9515 12.0519 12.0519 15.2295 15.2295 17.0482 17.0482 k = 0.3333 0.5774 1.2588 ( 1770 PWs) bands (ev): -13.7448 -13.7448 -13.7443 -13.7443 -9.3981 -9.3981 -9.3976 -9.3976 -0.8723 -0.8723 -0.4542 -0.4542 0.9253 0.9253 1.4112 1.4112 8.5406 8.5406 9.8557 9.8557 9.9325 9.9325 12.0342 12.0342 15.2695 15.2695 17.0994 17.0994 k = 0.3333 0.5774 1.2770 ( 1770 PWs) bands (ev): -13.7349 -13.7349 -13.7344 -13.7344 -9.4111 -9.4111 -9.4106 -9.4106 -0.8688 -0.8688 -0.4510 -0.4510 0.9291 0.9291 1.4147 1.4147 8.5342 8.5342 9.8500 9.8500 9.9262 9.9262 12.0283 12.0283 15.2832 15.2832 17.1173 17.1173 Writing output data file Ba.save init_run : 0.20s CPU 0.31s WALL ( 1 calls) electrons : 191.30s CPU 193.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 191.30s CPU 193.90s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 395 calls) cegterg : 178.24s CPU 180.25s WALL ( 636 calls) Called by sum_band: Called by *egterg: h_psi : 91.54s CPU 93.43s WALL ( 10235 calls) s_psi : 1.36s CPU 1.31s WALL ( 10235 calls) g_psi : 0.05s CPU 0.05s WALL ( 9204 calls) cdiaghg : 81.15s CPU 81.30s WALL ( 9599 calls) cegterg:over : 5.83s CPU 5.81s WALL ( 9204 calls) cegterg:upda : 2.46s CPU 2.75s WALL ( 9204 calls) cegterg:last : 1.69s CPU 1.71s WALL ( 1764 calls) cdiaghg:chol : 2.40s CPU 2.67s WALL ( 9599 calls) cdiaghg:inve : 0.62s CPU 0.61s WALL ( 9599 calls) cdiaghg:para : 5.94s CPU 5.98s WALL ( 19198 calls) Called by h_psi: h_psi:vloc : 87.88s CPU 89.76s WALL ( 10235 calls) h_psi:vnl : 3.64s CPU 3.64s WALL ( 10235 calls) add_vuspsi : 1.76s CPU 1.73s WALL ( 10235 calls) General routines calbec : 1.87s CPU 1.88s WALL ( 10235 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 86.00s CPU 87.87s WALL ( 575120 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.14s WALL ( 790 calls) Parallel routines fft_scatter : 65.14s CPU 66.80s WALL ( 575143 calls) PWSCF : 3m35.64s CPU 3m51.40s WALL This run was terminated on: 23:39:12 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=