Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 8:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./C.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 13 7 2 865 303 56 Max 14 8 3 882 319 67 Sum 499 253 85 31507 11241 2151 bravais-lattice index = 14 lattice parameter (alat) = 4.6649 a.u. unit-cell volume = 314.8539 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.664921 celldm(2)= 1.000000 celldm(3)= 3.581341 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 3.581341 ) 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 0.279225 ) PseudoPot. # 1 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential C 4.00 12.01070 C( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.7906703 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7906703 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.7906703 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.7906703 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7906703 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7906703 ) 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 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7906703 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.7906703 ) 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7906703 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7906703 ) 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.7906703 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.7906703 ) 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= 467 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 2) = ( 0.0067568 0.0039010 -0.0000000), wk = 0.0021413 k( 3) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0021413 k( 4) = ( 0.0202703 0.0117030 -0.0000000), wk = 0.0021413 k( 5) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0021413 k( 6) = ( 0.0337838 0.0195051 -0.0000000), wk = 0.0021413 k( 7) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0021413 k( 8) = ( 0.0472973 0.0273071 -0.0000000), wk = 0.0021413 k( 9) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0021413 k( 10) = ( 0.0608108 0.0351091 -0.0000000), wk = 0.0021413 k( 11) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0021413 k( 12) = ( 0.0743243 0.0429112 -0.0000000), wk = 0.0021413 k( 13) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0021413 k( 14) = ( 0.0878378 0.0507132 -0.0000000), wk = 0.0021413 k( 15) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0021413 k( 16) = ( 0.1013514 0.0585152 -0.0000000), wk = 0.0021413 k( 17) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0021413 k( 18) = ( 0.1148649 0.0663173 -0.0000000), wk = 0.0021413 k( 19) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0021413 k( 20) = ( 0.1283784 0.0741193 -0.0000000), wk = 0.0021413 k( 21) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0021413 k( 22) = ( 0.1418919 0.0819213 -0.0000000), wk = 0.0021413 k( 23) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0021413 k( 24) = ( 0.1554054 0.0897234 -0.0000000), wk = 0.0021413 k( 25) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0021413 k( 26) = ( 0.1689189 0.0975254 -0.0000000), wk = 0.0021413 k( 27) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0021413 k( 28) = ( 0.1824324 0.1053274 -0.0000000), wk = 0.0021413 k( 29) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0021413 k( 30) = ( 0.1959460 0.1131294 -0.0000000), wk = 0.0021413 k( 31) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0021413 k( 32) = ( 0.2094595 0.1209315 -0.0000000), wk = 0.0021413 k( 33) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0021413 k( 34) = ( 0.2229730 0.1287335 -0.0000000), wk = 0.0021413 k( 35) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0021413 k( 36) = ( 0.2364865 0.1365355 -0.0000000), wk = 0.0021413 k( 37) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0021413 k( 38) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0021413 k( 39) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0021413 k( 40) = ( 0.2635135 0.1521396 -0.0000000), wk = 0.0021413 k( 41) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0021413 k( 42) = ( 0.2770270 0.1599416 -0.0000000), wk = 0.0021413 k( 43) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0021413 k( 44) = ( 0.2905405 0.1677437 -0.0000000), wk = 0.0021413 k( 45) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0021413 k( 46) = ( 0.3040541 0.1755457 -0.0000000), wk = 0.0021413 k( 47) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0021413 k( 48) = ( 0.3175676 0.1833477 -0.0000000), wk = 0.0021413 k( 49) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0021413 k( 50) = ( 0.3310811 0.1911498 -0.0000000), wk = 0.0021413 k( 51) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0021413 k( 52) = ( 0.3445946 0.1989518 -0.0000000), wk = 0.0021413 k( 53) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0021413 k( 54) = ( 0.3581081 0.2067538 -0.0000000), wk = 0.0021413 k( 55) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0021413 k( 56) = ( 0.3716216 0.2145558 -0.0000000), wk = 0.0021413 k( 57) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0021413 k( 58) = ( 0.3851351 0.2223579 -0.0000000), wk = 0.0021413 k( 59) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0021413 k( 60) = ( 0.3986486 0.2301599 -0.0000000), wk = 0.0021413 k( 61) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0021413 k( 62) = ( 0.4121622 0.2379619 -0.0000000), wk = 0.0021413 k( 63) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0021413 k( 64) = ( 0.4256757 0.2457640 -0.0000000), wk = 0.0021413 k( 65) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0021413 k( 66) = ( 0.4391892 0.2535660 -0.0000000), wk = 0.0021413 k( 67) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0021413 k( 68) = ( 0.4527027 0.2613680 -0.0000000), wk = 0.0021413 k( 69) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0021413 k( 70) = ( 0.4662162 0.2691701 -0.0000000), wk = 0.0021413 k( 71) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0021413 k( 72) = ( 0.4797297 0.2769721 -0.0000000), wk = 0.0021413 k( 73) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0021413 k( 74) = ( 0.4932432 0.2847741 -0.0000000), wk = 0.0021413 k( 75) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021413 k( 76) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021413 k( 77) = ( 0.4961240 0.2953885 -0.0000000), wk = 0.0021413 k( 78) = ( 0.4922481 0.3021019 -0.0000000), wk = 0.0021413 k( 79) = ( 0.4883721 0.3088153 -0.0000000), wk = 0.0021413 k( 80) = ( 0.4844961 0.3155286 -0.0000000), wk = 0.0021413 k( 81) = ( 0.4806202 0.3222420 -0.0000000), wk = 0.0021413 k( 82) = ( 0.4767442 0.3289554 -0.0000000), wk = 0.0021413 k( 83) = ( 0.4728682 0.3356688 -0.0000000), wk = 0.0021413 k( 84) = ( 0.4689922 0.3423821 -0.0000000), wk = 0.0021413 k( 85) = ( 0.4651163 0.3490955 -0.0000000), wk = 0.0021413 k( 86) = ( 0.4612403 0.3558089 -0.0000000), wk = 0.0021413 k( 87) = ( 0.4573643 0.3625223 -0.0000000), wk = 0.0021413 k( 88) = ( 0.4534884 0.3692356 -0.0000000), wk = 0.0021413 k( 89) = ( 0.4496124 0.3759490 -0.0000000), wk = 0.0021413 k( 90) = ( 0.4457364 0.3826624 -0.0000000), wk = 0.0021413 k( 91) = ( 0.4418605 0.3893758 -0.0000000), wk = 0.0021413 k( 92) = ( 0.4379845 0.3960891 -0.0000000), wk = 0.0021413 k( 93) = ( 0.4341085 0.4028025 -0.0000000), wk = 0.0021413 k( 94) = ( 0.4302326 0.4095159 -0.0000000), wk = 0.0021413 k( 95) = ( 0.4263566 0.4162293 -0.0000000), wk = 0.0021413 k( 96) = ( 0.4224806 0.4229426 -0.0000000), wk = 0.0021413 k( 97) = ( 0.4186047 0.4296560 -0.0000000), wk = 0.0021413 k( 98) = ( 0.4147287 0.4363694 -0.0000000), wk = 0.0021413 k( 99) = ( 0.4108527 0.4430828 -0.0000000), wk = 0.0021413 k( 100) = ( 0.4069767 0.4497961 -0.0000000), wk = 0.0021413 k( 101) = ( 0.4031008 0.4565095 -0.0000000), wk = 0.0021413 k( 102) = ( 0.3992248 0.4632229 -0.0000000), wk = 0.0021413 k( 103) = ( 0.3953488 0.4699363 -0.0000000), wk = 0.0021413 k( 104) = ( 0.3914729 0.4766496 -0.0000000), wk = 0.0021413 k( 105) = ( 0.3875969 0.4833630 -0.0000000), wk = 0.0021413 k( 106) = ( 0.3837209 0.4900764 -0.0000000), wk = 0.0021413 k( 107) = ( 0.3798450 0.4967898 -0.0000000), wk = 0.0021413 k( 108) = ( 0.3759690 0.5035031 -0.0000000), wk = 0.0021413 k( 109) = ( 0.3720930 0.5102165 -0.0000000), wk = 0.0021413 k( 110) = ( 0.3682170 0.5169299 -0.0000000), wk = 0.0021413 k( 111) = ( 0.3643411 0.5236433 -0.0000000), wk = 0.0021413 k( 112) = ( 0.3604651 0.5303566 -0.0000000), wk = 0.0021413 k( 113) = ( 0.3565892 0.5370700 -0.0000000), wk = 0.0021413 k( 114) = ( 0.3527132 0.5437834 -0.0000000), wk = 0.0021413 k( 115) = ( 0.3488372 0.5504968 -0.0000000), wk = 0.0021413 k( 116) = ( 0.3449612 0.5572101 -0.0000000), wk = 0.0021413 k( 117) = ( 0.3410853 0.5639235 -0.0000000), wk = 0.0021413 k( 118) = ( 0.3372093 0.5706369 -0.0000000), wk = 0.0021413 k( 119) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021413 k( 120) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021413 k( 121) = ( 0.3294118 0.5705579 -0.0000000), wk = 0.0021413 k( 122) = ( 0.3254902 0.5637656 -0.0000000), wk = 0.0021413 k( 123) = ( 0.3215686 0.5569732 -0.0000000), wk = 0.0021413 k( 124) = ( 0.3176471 0.5501808 -0.0000000), wk = 0.0021413 k( 125) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0021413 k( 126) = ( 0.3098039 0.5365961 -0.0000000), wk = 0.0021413 k( 127) = ( 0.3058824 0.5298038 -0.0000000), wk = 0.0021413 k( 128) = ( 0.3019608 0.5230114 -0.0000000), wk = 0.0021413 k( 129) = ( 0.2980392 0.5162191 -0.0000000), wk = 0.0021413 k( 130) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0021413 k( 131) = ( 0.2901961 0.5026344 -0.0000000), wk = 0.0021413 k( 132) = ( 0.2862745 0.4958420 -0.0000000), wk = 0.0021413 k( 133) = ( 0.2823529 0.4890496 -0.0000000), wk = 0.0021413 k( 134) = ( 0.2784314 0.4822573 -0.0000000), wk = 0.0021413 k( 135) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0021413 k( 136) = ( 0.2705882 0.4686726 -0.0000000), wk = 0.0021413 k( 137) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0021413 k( 138) = ( 0.2627451 0.4550879 -0.0000000), wk = 0.0021413 k( 139) = ( 0.2588235 0.4482955 -0.0000000), wk = 0.0021413 k( 140) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0021413 k( 141) = ( 0.2509804 0.4347108 -0.0000000), wk = 0.0021413 k( 142) = ( 0.2470588 0.4279184 -0.0000000), wk = 0.0021413 k( 143) = ( 0.2431372 0.4211261 -0.0000000), wk = 0.0021413 k( 144) = ( 0.2392157 0.4143337 -0.0000000), wk = 0.0021413 k( 145) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0021413 k( 146) = ( 0.2313726 0.4007490 -0.0000000), wk = 0.0021413 k( 147) = ( 0.2274510 0.3939567 -0.0000000), wk = 0.0021413 k( 148) = ( 0.2235294 0.3871643 -0.0000000), wk = 0.0021413 k( 149) = ( 0.2196078 0.3803719 -0.0000000), wk = 0.0021413 k( 150) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0021413 k( 151) = ( 0.2117647 0.3667872 -0.0000000), wk = 0.0021413 k( 152) = ( 0.2078431 0.3599949 -0.0000000), wk = 0.0021413 k( 153) = ( 0.2039216 0.3532025 -0.0000000), wk = 0.0021413 k( 154) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0021413 k( 155) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0021413 k( 156) = ( 0.1921569 0.3328254 -0.0000000), wk = 0.0021413 k( 157) = ( 0.1882353 0.3260331 -0.0000000), wk = 0.0021413 k( 158) = ( 0.1843137 0.3192407 -0.0000000), wk = 0.0021413 k( 159) = ( 0.1803922 0.3124484 -0.0000000), wk = 0.0021413 k( 160) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0021413 k( 161) = ( 0.1725490 0.2988637 -0.0000000), wk = 0.0021413 k( 162) = ( 0.1686275 0.2920713 -0.0000000), wk = 0.0021413 k( 163) = ( 0.1647059 0.2852790 -0.0000000), wk = 0.0021413 k( 164) = ( 0.1607843 0.2784866 -0.0000000), wk = 0.0021413 k( 165) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0021413 k( 166) = ( 0.1529412 0.2649019 -0.0000000), wk = 0.0021413 k( 167) = ( 0.1490196 0.2581095 -0.0000000), wk = 0.0021413 k( 168) = ( 0.1450980 0.2513172 -0.0000000), wk = 0.0021413 k( 169) = ( 0.1411765 0.2445248 -0.0000000), wk = 0.0021413 k( 170) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0021413 k( 171) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0021413 k( 172) = ( 0.1294118 0.2241477 -0.0000000), wk = 0.0021413 k( 173) = ( 0.1254902 0.2173554 -0.0000000), wk = 0.0021413 k( 174) = ( 0.1215686 0.2105630 -0.0000000), wk = 0.0021413 k( 175) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0021413 k( 176) = ( 0.1137255 0.1969783 -0.0000000), wk = 0.0021413 k( 177) = ( 0.1098039 0.1901860 -0.0000000), wk = 0.0021413 k( 178) = ( 0.1058824 0.1833936 -0.0000000), wk = 0.0021413 k( 179) = ( 0.1019608 0.1766013 -0.0000000), wk = 0.0021413 k( 180) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0021413 k( 181) = ( 0.0941176 0.1630166 -0.0000000), wk = 0.0021413 k( 182) = ( 0.0901961 0.1562242 -0.0000000), wk = 0.0021413 k( 183) = ( 0.0862745 0.1494318 -0.0000000), wk = 0.0021413 k( 184) = ( 0.0823529 0.1426395 -0.0000000), wk = 0.0021413 k( 185) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0021413 k( 186) = ( 0.0745098 0.1290548 -0.0000000), wk = 0.0021413 k( 187) = ( 0.0705882 0.1222624 -0.0000000), wk = 0.0021413 k( 188) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0021413 k( 189) = ( 0.0627451 0.1086777 -0.0000000), wk = 0.0021413 k( 190) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0021413 k( 191) = ( 0.0549020 0.0950930 -0.0000000), wk = 0.0021413 k( 192) = ( 0.0509804 0.0883006 -0.0000000), wk = 0.0021413 k( 193) = ( 0.0470588 0.0815083 -0.0000000), wk = 0.0021413 k( 194) = ( 0.0431373 0.0747159 -0.0000000), wk = 0.0021413 k( 195) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0021413 k( 196) = ( 0.0352941 0.0611312 -0.0000000), wk = 0.0021413 k( 197) = ( 0.0313725 0.0543389 -0.0000000), wk = 0.0021413 k( 198) = ( 0.0274510 0.0475465 -0.0000000), wk = 0.0021413 k( 199) = ( 0.0235294 0.0407541 -0.0000000), wk = 0.0021413 k( 200) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0021413 k( 201) = ( 0.0156863 0.0271694 -0.0000000), wk = 0.0021413 k( 202) = ( 0.0117647 0.0203771 -0.0000000), wk = 0.0021413 k( 203) = ( 0.0078431 0.0135847 -0.0000000), wk = 0.0021413 k( 204) = ( 0.0039216 0.0067924 -0.0000000), wk = 0.0021413 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 207) = ( 0.0000000 0.0000000 0.0077563), wk = 0.0021413 k( 208) = ( 0.0000000 0.0000000 0.0155125), wk = 0.0021413 k( 209) = ( 0.0000000 0.0000000 0.0232688), wk = 0.0021413 k( 210) = ( 0.0000000 0.0000000 0.0310250), wk = 0.0021413 k( 211) = ( 0.0000000 0.0000000 0.0387813), wk = 0.0021413 k( 212) = ( 0.0000000 0.0000000 0.0465375), wk = 0.0021413 k( 213) = ( 0.0000000 0.0000000 0.0542938), wk = 0.0021413 k( 214) = ( 0.0000000 0.0000000 0.0620500), wk = 0.0021413 k( 215) = ( 0.0000000 0.0000000 0.0698063), wk = 0.0021413 k( 216) = ( 0.0000000 0.0000000 0.0775625), wk = 0.0021413 k( 217) = ( 0.0000000 0.0000000 0.0853188), wk = 0.0021413 k( 218) = ( 0.0000000 0.0000000 0.0930750), wk = 0.0021413 k( 219) = ( 0.0000000 0.0000000 0.1008313), wk = 0.0021413 k( 220) = ( 0.0000000 0.0000000 0.1085875), wk = 0.0021413 k( 221) = ( 0.0000000 0.0000000 0.1163438), wk = 0.0021413 k( 222) = ( 0.0000000 0.0000000 0.1241000), wk = 0.0021413 k( 223) = ( 0.0000000 0.0000000 0.1318563), wk = 0.0021413 k( 224) = ( 0.0000000 0.0000000 0.1396125), wk = 0.0021413 k( 225) = ( 0.0000000 0.0000000 0.1396125), wk = 0.0021413 k( 226) = ( 0.0067568 0.0039010 0.1396125), wk = 0.0021413 k( 227) = ( 0.0135135 0.0078020 0.1396125), wk = 0.0021413 k( 228) = ( 0.0202703 0.0117030 0.1396125), wk = 0.0021413 k( 229) = ( 0.0270270 0.0156041 0.1396125), wk = 0.0021413 k( 230) = ( 0.0337838 0.0195051 0.1396125), wk = 0.0021413 k( 231) = ( 0.0405405 0.0234061 0.1396125), wk = 0.0021413 k( 232) = ( 0.0472973 0.0273071 0.1396125), wk = 0.0021413 k( 233) = ( 0.0540540 0.0312081 0.1396125), wk = 0.0021413 k( 234) = ( 0.0608108 0.0351091 0.1396125), wk = 0.0021413 k( 235) = ( 0.0675676 0.0390102 0.1396125), wk = 0.0021413 k( 236) = ( 0.0743243 0.0429112 0.1396125), wk = 0.0021413 k( 237) = ( 0.0810811 0.0468122 0.1396125), wk = 0.0021413 k( 238) = ( 0.0878378 0.0507132 0.1396125), wk = 0.0021413 k( 239) = ( 0.0945946 0.0546142 0.1396125), wk = 0.0021413 k( 240) = ( 0.1013514 0.0585152 0.1396125), wk = 0.0021413 k( 241) = ( 0.1081081 0.0624162 0.1396125), wk = 0.0021413 k( 242) = ( 0.1148649 0.0663173 0.1396125), wk = 0.0021413 k( 243) = ( 0.1216216 0.0702183 0.1396125), wk = 0.0021413 k( 244) = ( 0.1283784 0.0741193 0.1396125), wk = 0.0021413 k( 245) = ( 0.1351351 0.0780203 0.1396125), wk = 0.0021413 k( 246) = ( 0.1418919 0.0819213 0.1396125), wk = 0.0021413 k( 247) = ( 0.1486486 0.0858223 0.1396125), wk = 0.0021413 k( 248) = ( 0.1554054 0.0897234 0.1396125), wk = 0.0021413 k( 249) = ( 0.1621622 0.0936244 0.1396125), wk = 0.0021413 k( 250) = ( 0.1689189 0.0975254 0.1396125), wk = 0.0021413 k( 251) = ( 0.1756757 0.1014264 0.1396125), wk = 0.0021413 k( 252) = ( 0.1824324 0.1053274 0.1396125), wk = 0.0021413 k( 253) = ( 0.1891892 0.1092284 0.1396125), wk = 0.0021413 k( 254) = ( 0.1959460 0.1131294 0.1396125), wk = 0.0021413 k( 255) = ( 0.2027027 0.1170305 0.1396125), wk = 0.0021413 k( 256) = ( 0.2094595 0.1209315 0.1396125), wk = 0.0021413 k( 257) = ( 0.2162162 0.1248325 0.1396125), wk = 0.0021413 k( 258) = ( 0.2229730 0.1287335 0.1396125), wk = 0.0021413 k( 259) = ( 0.2297297 0.1326345 0.1396125), wk = 0.0021413 k( 260) = ( 0.2364865 0.1365355 0.1396125), wk = 0.0021413 k( 261) = ( 0.2432432 0.1404366 0.1396125), wk = 0.0021413 k( 262) = ( 0.2500000 0.1443376 0.1396125), wk = 0.0021413 k( 263) = ( 0.2567568 0.1482386 0.1396125), wk = 0.0021413 k( 264) = ( 0.2635135 0.1521396 0.1396125), wk = 0.0021413 k( 265) = ( 0.2702703 0.1560406 0.1396125), wk = 0.0021413 k( 266) = ( 0.2770270 0.1599416 0.1396125), wk = 0.0021413 k( 267) = ( 0.2837838 0.1638426 0.1396125), wk = 0.0021413 k( 268) = ( 0.2905405 0.1677437 0.1396125), wk = 0.0021413 k( 269) = ( 0.2972973 0.1716447 0.1396125), wk = 0.0021413 k( 270) = ( 0.3040541 0.1755457 0.1396125), wk = 0.0021413 k( 271) = ( 0.3108108 0.1794467 0.1396125), wk = 0.0021413 k( 272) = ( 0.3175676 0.1833477 0.1396125), wk = 0.0021413 k( 273) = ( 0.3243243 0.1872487 0.1396125), wk = 0.0021413 k( 274) = ( 0.3310811 0.1911498 0.1396125), wk = 0.0021413 k( 275) = ( 0.3378378 0.1950508 0.1396125), wk = 0.0021413 k( 276) = ( 0.3445946 0.1989518 0.1396125), wk = 0.0021413 k( 277) = ( 0.3513514 0.2028528 0.1396125), wk = 0.0021413 k( 278) = ( 0.3581081 0.2067538 0.1396125), wk = 0.0021413 k( 279) = ( 0.3648649 0.2106548 0.1396125), wk = 0.0021413 k( 280) = ( 0.3716216 0.2145558 0.1396125), wk = 0.0021413 k( 281) = ( 0.3783784 0.2184569 0.1396125), wk = 0.0021413 k( 282) = ( 0.3851351 0.2223579 0.1396125), wk = 0.0021413 k( 283) = ( 0.3918919 0.2262589 0.1396125), wk = 0.0021413 k( 284) = ( 0.3986486 0.2301599 0.1396125), wk = 0.0021413 k( 285) = ( 0.4054054 0.2340609 0.1396125), wk = 0.0021413 k( 286) = ( 0.4121622 0.2379619 0.1396125), wk = 0.0021413 k( 287) = ( 0.4189189 0.2418630 0.1396125), wk = 0.0021413 k( 288) = ( 0.4256757 0.2457640 0.1396125), wk = 0.0021413 k( 289) = ( 0.4324324 0.2496650 0.1396125), wk = 0.0021413 k( 290) = ( 0.4391892 0.2535660 0.1396125), wk = 0.0021413 k( 291) = ( 0.4459459 0.2574670 0.1396125), wk = 0.0021413 k( 292) = ( 0.4527027 0.2613680 0.1396125), wk = 0.0021413 k( 293) = ( 0.4594595 0.2652690 0.1396125), wk = 0.0021413 k( 294) = ( 0.4662162 0.2691701 0.1396125), wk = 0.0021413 k( 295) = ( 0.4729730 0.2730711 0.1396125), wk = 0.0021413 k( 296) = ( 0.4797297 0.2769721 0.1396125), wk = 0.0021413 k( 297) = ( 0.4864865 0.2808731 0.1396125), wk = 0.0021413 k( 298) = ( 0.4932432 0.2847741 0.1396125), wk = 0.0021413 k( 299) = ( 0.5000000 0.2886751 0.1396125), wk = 0.0021413 k( 300) = ( 0.5000000 0.2886751 0.1396125), wk = 0.0021413 k( 301) = ( 0.4961240 0.2953885 0.1396125), wk = 0.0021413 k( 302) = ( 0.4922481 0.3021019 0.1396125), wk = 0.0021413 k( 303) = ( 0.4883721 0.3088153 0.1396125), wk = 0.0021413 k( 304) = ( 0.4844961 0.3155286 0.1396125), wk = 0.0021413 k( 305) = ( 0.4806202 0.3222420 0.1396125), wk = 0.0021413 k( 306) = ( 0.4767442 0.3289554 0.1396125), wk = 0.0021413 k( 307) = ( 0.4728682 0.3356688 0.1396125), wk = 0.0021413 k( 308) = ( 0.4689922 0.3423821 0.1396125), wk = 0.0021413 k( 309) = ( 0.4651163 0.3490955 0.1396125), wk = 0.0021413 k( 310) = ( 0.4612403 0.3558089 0.1396125), wk = 0.0021413 k( 311) = ( 0.4573643 0.3625223 0.1396125), wk = 0.0021413 k( 312) = ( 0.4534884 0.3692356 0.1396125), wk = 0.0021413 k( 313) = ( 0.4496124 0.3759490 0.1396125), wk = 0.0021413 k( 314) = ( 0.4457364 0.3826624 0.1396125), wk = 0.0021413 k( 315) = ( 0.4418605 0.3893758 0.1396125), wk = 0.0021413 k( 316) = ( 0.4379845 0.3960891 0.1396125), wk = 0.0021413 k( 317) = ( 0.4341085 0.4028025 0.1396125), wk = 0.0021413 k( 318) = ( 0.4302326 0.4095159 0.1396125), wk = 0.0021413 k( 319) = ( 0.4263566 0.4162293 0.1396125), wk = 0.0021413 k( 320) = ( 0.4224806 0.4229426 0.1396125), wk = 0.0021413 k( 321) = ( 0.4186047 0.4296560 0.1396125), wk = 0.0021413 k( 322) = ( 0.4147287 0.4363694 0.1396125), wk = 0.0021413 k( 323) = ( 0.4108527 0.4430828 0.1396125), wk = 0.0021413 k( 324) = ( 0.4069767 0.4497961 0.1396125), wk = 0.0021413 k( 325) = ( 0.4031008 0.4565095 0.1396125), wk = 0.0021413 k( 326) = ( 0.3992248 0.4632229 0.1396125), wk = 0.0021413 k( 327) = ( 0.3953488 0.4699363 0.1396125), wk = 0.0021413 k( 328) = ( 0.3914729 0.4766496 0.1396125), wk = 0.0021413 k( 329) = ( 0.3875969 0.4833630 0.1396125), wk = 0.0021413 k( 330) = ( 0.3837209 0.4900764 0.1396125), wk = 0.0021413 k( 331) = ( 0.3798450 0.4967898 0.1396125), wk = 0.0021413 k( 332) = ( 0.3759690 0.5035031 0.1396125), wk = 0.0021413 k( 333) = ( 0.3720930 0.5102165 0.1396125), wk = 0.0021413 k( 334) = ( 0.3682170 0.5169299 0.1396125), wk = 0.0021413 k( 335) = ( 0.3643411 0.5236433 0.1396125), wk = 0.0021413 k( 336) = ( 0.3604651 0.5303566 0.1396125), wk = 0.0021413 k( 337) = ( 0.3565892 0.5370700 0.1396125), wk = 0.0021413 k( 338) = ( 0.3527132 0.5437834 0.1396125), wk = 0.0021413 k( 339) = ( 0.3488372 0.5504968 0.1396125), wk = 0.0021413 k( 340) = ( 0.3449612 0.5572101 0.1396125), wk = 0.0021413 k( 341) = ( 0.3410853 0.5639235 0.1396125), wk = 0.0021413 k( 342) = ( 0.3372093 0.5706369 0.1396125), wk = 0.0021413 k( 343) = ( 0.3333333 0.5773503 0.1396125), wk = 0.0021413 k( 344) = ( 0.3333333 0.5773503 0.1396125), wk = 0.0021413 k( 345) = ( 0.3294118 0.5705579 0.1396125), wk = 0.0021413 k( 346) = ( 0.3254902 0.5637656 0.1396125), wk = 0.0021413 k( 347) = ( 0.3215686 0.5569732 0.1396125), wk = 0.0021413 k( 348) = ( 0.3176471 0.5501808 0.1396125), wk = 0.0021413 k( 349) = ( 0.3137255 0.5433885 0.1396125), wk = 0.0021413 k( 350) = ( 0.3098039 0.5365961 0.1396125), wk = 0.0021413 k( 351) = ( 0.3058824 0.5298038 0.1396125), wk = 0.0021413 k( 352) = ( 0.3019608 0.5230114 0.1396125), wk = 0.0021413 k( 353) = ( 0.2980392 0.5162191 0.1396125), wk = 0.0021413 k( 354) = ( 0.2941177 0.5094267 0.1396125), wk = 0.0021413 k( 355) = ( 0.2901961 0.5026344 0.1396125), wk = 0.0021413 k( 356) = ( 0.2862745 0.4958420 0.1396125), wk = 0.0021413 k( 357) = ( 0.2823529 0.4890496 0.1396125), wk = 0.0021413 k( 358) = ( 0.2784314 0.4822573 0.1396125), wk = 0.0021413 k( 359) = ( 0.2745098 0.4754649 0.1396125), wk = 0.0021413 k( 360) = ( 0.2705882 0.4686726 0.1396125), wk = 0.0021413 k( 361) = ( 0.2666667 0.4618802 0.1396125), wk = 0.0021413 k( 362) = ( 0.2627451 0.4550879 0.1396125), wk = 0.0021413 k( 363) = ( 0.2588235 0.4482955 0.1396125), wk = 0.0021413 k( 364) = ( 0.2549020 0.4415031 0.1396125), wk = 0.0021413 k( 365) = ( 0.2509804 0.4347108 0.1396125), wk = 0.0021413 k( 366) = ( 0.2470588 0.4279184 0.1396125), wk = 0.0021413 k( 367) = ( 0.2431372 0.4211261 0.1396125), wk = 0.0021413 k( 368) = ( 0.2392157 0.4143337 0.1396125), wk = 0.0021413 k( 369) = ( 0.2352941 0.4075414 0.1396125), wk = 0.0021413 k( 370) = ( 0.2313726 0.4007490 0.1396125), wk = 0.0021413 k( 371) = ( 0.2274510 0.3939567 0.1396125), wk = 0.0021413 k( 372) = ( 0.2235294 0.3871643 0.1396125), wk = 0.0021413 k( 373) = ( 0.2196078 0.3803719 0.1396125), wk = 0.0021413 k( 374) = ( 0.2156863 0.3735796 0.1396125), wk = 0.0021413 k( 375) = ( 0.2117647 0.3667872 0.1396125), wk = 0.0021413 k( 376) = ( 0.2078431 0.3599949 0.1396125), wk = 0.0021413 k( 377) = ( 0.2039216 0.3532025 0.1396125), wk = 0.0021413 k( 378) = ( 0.2000000 0.3464102 0.1396125), wk = 0.0021413 k( 379) = ( 0.1960784 0.3396178 0.1396125), wk = 0.0021413 k( 380) = ( 0.1921569 0.3328254 0.1396125), wk = 0.0021413 k( 381) = ( 0.1882353 0.3260331 0.1396125), wk = 0.0021413 k( 382) = ( 0.1843137 0.3192407 0.1396125), wk = 0.0021413 k( 383) = ( 0.1803922 0.3124484 0.1396125), wk = 0.0021413 k( 384) = ( 0.1764706 0.3056560 0.1396125), wk = 0.0021413 k( 385) = ( 0.1725490 0.2988637 0.1396125), wk = 0.0021413 k( 386) = ( 0.1686275 0.2920713 0.1396125), wk = 0.0021413 k( 387) = ( 0.1647059 0.2852790 0.1396125), wk = 0.0021413 k( 388) = ( 0.1607843 0.2784866 0.1396125), wk = 0.0021413 k( 389) = ( 0.1568627 0.2716943 0.1396125), wk = 0.0021413 k( 390) = ( 0.1529412 0.2649019 0.1396125), wk = 0.0021413 k( 391) = ( 0.1490196 0.2581095 0.1396125), wk = 0.0021413 k( 392) = ( 0.1450980 0.2513172 0.1396125), wk = 0.0021413 k( 393) = ( 0.1411765 0.2445248 0.1396125), wk = 0.0021413 k( 394) = ( 0.1372549 0.2377325 0.1396125), wk = 0.0021413 k( 395) = ( 0.1333333 0.2309401 0.1396125), wk = 0.0021413 k( 396) = ( 0.1294118 0.2241477 0.1396125), wk = 0.0021413 k( 397) = ( 0.1254902 0.2173554 0.1396125), wk = 0.0021413 k( 398) = ( 0.1215686 0.2105630 0.1396125), wk = 0.0021413 k( 399) = ( 0.1176471 0.2037707 0.1396125), wk = 0.0021413 k( 400) = ( 0.1137255 0.1969783 0.1396125), wk = 0.0021413 k( 401) = ( 0.1098039 0.1901860 0.1396125), wk = 0.0021413 k( 402) = ( 0.1058824 0.1833936 0.1396125), wk = 0.0021413 k( 403) = ( 0.1019608 0.1766013 0.1396125), wk = 0.0021413 k( 404) = ( 0.0980392 0.1698089 0.1396125), wk = 0.0021413 k( 405) = ( 0.0941176 0.1630166 0.1396125), wk = 0.0021413 k( 406) = ( 0.0901961 0.1562242 0.1396125), wk = 0.0021413 k( 407) = ( 0.0862745 0.1494318 0.1396125), wk = 0.0021413 k( 408) = ( 0.0823529 0.1426395 0.1396125), wk = 0.0021413 k( 409) = ( 0.0784314 0.1358471 0.1396125), wk = 0.0021413 k( 410) = ( 0.0745098 0.1290548 0.1396125), wk = 0.0021413 k( 411) = ( 0.0705882 0.1222624 0.1396125), wk = 0.0021413 k( 412) = ( 0.0666667 0.1154701 0.1396125), wk = 0.0021413 k( 413) = ( 0.0627451 0.1086777 0.1396125), wk = 0.0021413 k( 414) = ( 0.0588235 0.1018853 0.1396125), wk = 0.0021413 k( 415) = ( 0.0549020 0.0950930 0.1396125), wk = 0.0021413 k( 416) = ( 0.0509804 0.0883006 0.1396125), wk = 0.0021413 k( 417) = ( 0.0470588 0.0815083 0.1396125), wk = 0.0021413 k( 418) = ( 0.0431373 0.0747159 0.1396125), wk = 0.0021413 k( 419) = ( 0.0392157 0.0679236 0.1396125), wk = 0.0021413 k( 420) = ( 0.0352941 0.0611312 0.1396125), wk = 0.0021413 k( 421) = ( 0.0313725 0.0543389 0.1396125), wk = 0.0021413 k( 422) = ( 0.0274510 0.0475465 0.1396125), wk = 0.0021413 k( 423) = ( 0.0235294 0.0407541 0.1396125), wk = 0.0021413 k( 424) = ( 0.0196078 0.0339618 0.1396125), wk = 0.0021413 k( 425) = ( 0.0156863 0.0271694 0.1396125), wk = 0.0021413 k( 426) = ( 0.0117647 0.0203771 0.1396125), wk = 0.0021413 k( 427) = ( 0.0078431 0.0135847 0.1396125), wk = 0.0021413 k( 428) = ( 0.0039216 0.0067924 0.1396125), wk = 0.0021413 k( 429) = ( 0.0000000 0.0000000 0.1396125), wk = 0.0021413 k( 430) = ( 0.5000000 0.2886751 0.1396125), wk = 0.0021413 k( 431) = ( 0.5000000 0.2886751 0.1318563), wk = 0.0021413 k( 432) = ( 0.5000000 0.2886751 0.1241000), wk = 0.0021413 k( 433) = ( 0.5000000 0.2886751 0.1163438), wk = 0.0021413 k( 434) = ( 0.5000000 0.2886751 0.1085875), wk = 0.0021413 k( 435) = ( 0.5000000 0.2886751 0.1008313), wk = 0.0021413 k( 436) = ( 0.5000000 0.2886751 0.0930750), wk = 0.0021413 k( 437) = ( 0.5000000 0.2886751 0.0853188), wk = 0.0021413 k( 438) = ( 0.5000000 0.2886751 0.0775625), wk = 0.0021413 k( 439) = ( 0.5000000 0.2886751 0.0698063), wk = 0.0021413 k( 440) = ( 0.5000000 0.2886751 0.0620500), wk = 0.0021413 k( 441) = ( 0.5000000 0.2886751 0.0542938), wk = 0.0021413 k( 442) = ( 0.5000000 0.2886751 0.0465375), wk = 0.0021413 k( 443) = ( 0.5000000 0.2886751 0.0387813), wk = 0.0021413 k( 444) = ( 0.5000000 0.2886751 0.0310250), wk = 0.0021413 k( 445) = ( 0.5000000 0.2886751 0.0232688), wk = 0.0021413 k( 446) = ( 0.5000000 0.2886751 0.0155125), wk = 0.0021413 k( 447) = ( 0.5000000 0.2886751 0.0077563), wk = 0.0021413 k( 448) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021413 k( 449) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021413 k( 450) = ( 0.3333333 0.5773503 0.0077563), wk = 0.0021413 k( 451) = ( 0.3333333 0.5773503 0.0155125), wk = 0.0021413 k( 452) = ( 0.3333333 0.5773503 0.0232688), wk = 0.0021413 k( 453) = ( 0.3333333 0.5773503 0.0310250), wk = 0.0021413 k( 454) = ( 0.3333333 0.5773503 0.0387813), wk = 0.0021413 k( 455) = ( 0.3333333 0.5773503 0.0465375), wk = 0.0021413 k( 456) = ( 0.3333333 0.5773503 0.0542938), wk = 0.0021413 k( 457) = ( 0.3333333 0.5773503 0.0620500), wk = 0.0021413 k( 458) = ( 0.3333333 0.5773503 0.0698063), wk = 0.0021413 k( 459) = ( 0.3333333 0.5773503 0.0775625), wk = 0.0021413 k( 460) = ( 0.3333333 0.5773503 0.0853188), wk = 0.0021413 k( 461) = ( 0.3333333 0.5773503 0.0930750), wk = 0.0021413 k( 462) = ( 0.3333333 0.5773503 0.1008313), wk = 0.0021413 k( 463) = ( 0.3333333 0.5773503 0.1085875), wk = 0.0021413 k( 464) = ( 0.3333333 0.5773503 0.1163438), wk = 0.0021413 k( 465) = ( 0.3333333 0.5773503 0.1241000), wk = 0.0021413 k( 466) = ( 0.3333333 0.5773503 0.1318563), wk = 0.0021413 k( 467) = ( 0.3333333 0.5773503 0.1396125), wk = 0.0021413 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 2) = ( 0.0067568 -0.0000000 0.0000000), wk = 0.0021413 k( 3) = ( 0.0135135 -0.0000000 0.0000000), wk = 0.0021413 k( 4) = ( 0.0202703 0.0000000 0.0000000), wk = 0.0021413 k( 5) = ( 0.0270270 -0.0000000 0.0000000), wk = 0.0021413 k( 6) = ( 0.0337838 0.0000000 0.0000000), wk = 0.0021413 k( 7) = ( 0.0405405 0.0000000 0.0000000), wk = 0.0021413 k( 8) = ( 0.0472973 -0.0000000 0.0000000), wk = 0.0021413 k( 9) = ( 0.0540540 -0.0000000 0.0000000), wk = 0.0021413 k( 10) = ( 0.0608108 -0.0000000 0.0000000), wk = 0.0021413 k( 11) = ( 0.0675676 0.0000000 0.0000000), wk = 0.0021413 k( 12) = ( 0.0743243 -0.0000000 0.0000000), wk = 0.0021413 k( 13) = ( 0.0810811 0.0000000 0.0000000), wk = 0.0021413 k( 14) = ( 0.0878378 0.0000000 0.0000000), wk = 0.0021413 k( 15) = ( 0.0945946 -0.0000000 0.0000000), wk = 0.0021413 k( 16) = ( 0.1013514 0.0000000 -0.0000000), wk = 0.0021413 k( 17) = ( 0.1081081 -0.0000000 0.0000000), wk = 0.0021413 k( 18) = ( 0.1148649 0.0000000 0.0000000), wk = 0.0021413 k( 19) = ( 0.1216216 -0.0000000 0.0000000), wk = 0.0021413 k( 20) = ( 0.1283784 0.0000000 0.0000000), wk = 0.0021413 k( 21) = ( 0.1351351 0.0000000 0.0000000), wk = 0.0021413 k( 22) = ( 0.1418919 0.0000000 0.0000000), wk = 0.0021413 k( 23) = ( 0.1486486 -0.0000000 -0.0000000), wk = 0.0021413 k( 24) = ( 0.1554054 0.0000000 0.0000000), wk = 0.0021413 k( 25) = ( 0.1621622 0.0000000 0.0000000), wk = 0.0021413 k( 26) = ( 0.1689189 -0.0000000 0.0000000), wk = 0.0021413 k( 27) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0021413 k( 28) = ( 0.1824324 0.0000000 0.0000000), wk = 0.0021413 k( 29) = ( 0.1891892 -0.0000000 0.0000000), wk = 0.0021413 k( 30) = ( 0.1959460 -0.0000000 0.0000000), wk = 0.0021413 k( 31) = ( 0.2027027 0.0000000 -0.0000000), wk = 0.0021413 k( 32) = ( 0.2094595 -0.0000000 0.0000000), wk = 0.0021413 k( 33) = ( 0.2162162 -0.0000000 0.0000000), wk = 0.0021413 k( 34) = ( 0.2229730 -0.0000000 0.0000000), wk = 0.0021413 k( 35) = ( 0.2297297 -0.0000000 0.0000000), wk = 0.0021413 k( 36) = ( 0.2364865 -0.0000000 0.0000000), wk = 0.0021413 k( 37) = ( 0.2432432 -0.0000000 0.0000000), wk = 0.0021413 k( 38) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0021413 k( 39) = ( 0.2567568 0.0000000 0.0000000), wk = 0.0021413 k( 40) = ( 0.2635135 0.0000000 0.0000000), wk = 0.0021413 k( 41) = ( 0.2702703 -0.0000000 0.0000000), wk = 0.0021413 k( 42) = ( 0.2770270 0.0000000 0.0000000), wk = 0.0021413 k( 43) = ( 0.2837838 0.0000000 0.0000000), wk = 0.0021413 k( 44) = ( 0.2905405 0.0000000 -0.0000000), wk = 0.0021413 k( 45) = ( 0.2972973 -0.0000000 -0.0000000), wk = 0.0021413 k( 46) = ( 0.3040541 0.0000000 0.0000000), wk = 0.0021413 k( 47) = ( 0.3108108 -0.0000000 0.0000000), wk = 0.0021413 k( 48) = ( 0.3175676 0.0000000 0.0000000), wk = 0.0021413 k( 49) = ( 0.3243243 0.0000000 0.0000000), wk = 0.0021413 k( 50) = ( 0.3310811 0.0000000 0.0000000), wk = 0.0021413 k( 51) = ( 0.3378378 -0.0000000 0.0000000), wk = 0.0021413 k( 52) = ( 0.3445946 -0.0000000 0.0000000), wk = 0.0021413 k( 53) = ( 0.3513514 -0.0000000 -0.0000000), wk = 0.0021413 k( 54) = ( 0.3581081 0.0000000 0.0000000), wk = 0.0021413 k( 55) = ( 0.3648649 0.0000000 0.0000000), wk = 0.0021413 k( 56) = ( 0.3716216 0.0000000 0.0000000), wk = 0.0021413 k( 57) = ( 0.3783784 -0.0000000 0.0000000), wk = 0.0021413 k( 58) = ( 0.3851351 -0.0000000 0.0000000), wk = 0.0021413 k( 59) = ( 0.3918919 -0.0000000 0.0000000), wk = 0.0021413 k( 60) = ( 0.3986486 0.0000000 0.0000000), wk = 0.0021413 k( 61) = ( 0.4054054 -0.0000000 0.0000000), wk = 0.0021413 k( 62) = ( 0.4121622 -0.0000000 0.0000000), wk = 0.0021413 k( 63) = ( 0.4189189 -0.0000000 0.0000000), wk = 0.0021413 k( 64) = ( 0.4256757 -0.0000000 0.0000000), wk = 0.0021413 k( 65) = ( 0.4324324 -0.0000000 0.0000000), wk = 0.0021413 k( 66) = ( 0.4391892 -0.0000000 0.0000000), wk = 0.0021413 k( 67) = ( 0.4459459 -0.0000000 0.0000000), wk = 0.0021413 k( 68) = ( 0.4527027 -0.0000000 0.0000000), wk = 0.0021413 k( 69) = ( 0.4594595 -0.0000000 0.0000000), wk = 0.0021413 k( 70) = ( 0.4662162 -0.0000000 0.0000000), wk = 0.0021413 k( 71) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0021413 k( 72) = ( 0.4797297 -0.0000000 0.0000000), wk = 0.0021413 k( 73) = ( 0.4864865 -0.0000000 -0.0000000), wk = 0.0021413 k( 74) = ( 0.4932432 -0.0000000 -0.0000000), wk = 0.0021413 k( 75) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021413 k( 76) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021413 k( 77) = ( 0.4961240 0.0077519 0.0000000), wk = 0.0021413 k( 78) = ( 0.4922481 0.0155039 0.0000000), wk = 0.0021413 k( 79) = ( 0.4883721 0.0232558 0.0000000), wk = 0.0021413 k( 80) = ( 0.4844961 0.0310078 0.0000000), wk = 0.0021413 k( 81) = ( 0.4806202 0.0387597 0.0000000), wk = 0.0021413 k( 82) = ( 0.4767442 0.0465116 0.0000000), wk = 0.0021413 k( 83) = ( 0.4728682 0.0542636 0.0000000), wk = 0.0021413 k( 84) = ( 0.4689922 0.0620155 -0.0000000), wk = 0.0021413 k( 85) = ( 0.4651163 0.0697674 0.0000000), wk = 0.0021413 k( 86) = ( 0.4612403 0.0775194 0.0000000), wk = 0.0021413 k( 87) = ( 0.4573643 0.0852713 0.0000000), wk = 0.0021413 k( 88) = ( 0.4534884 0.0930233 0.0000000), wk = 0.0021413 k( 89) = ( 0.4496124 0.1007752 0.0000000), wk = 0.0021413 k( 90) = ( 0.4457364 0.1085271 0.0000000), wk = 0.0021413 k( 91) = ( 0.4418605 0.1162791 -0.0000000), wk = 0.0021413 k( 92) = ( 0.4379845 0.1240310 0.0000000), wk = 0.0021413 k( 93) = ( 0.4341085 0.1317830 0.0000000), wk = 0.0021413 k( 94) = ( 0.4302326 0.1395349 0.0000000), wk = 0.0021413 k( 95) = ( 0.4263566 0.1472868 0.0000000), wk = 0.0021413 k( 96) = ( 0.4224806 0.1550388 0.0000000), wk = 0.0021413 k( 97) = ( 0.4186047 0.1627907 0.0000000), wk = 0.0021413 k( 98) = ( 0.4147287 0.1705426 0.0000000), wk = 0.0021413 k( 99) = ( 0.4108527 0.1782946 0.0000000), wk = 0.0021413 k( 100) = ( 0.4069767 0.1860465 0.0000000), wk = 0.0021413 k( 101) = ( 0.4031008 0.1937985 -0.0000000), wk = 0.0021413 k( 102) = ( 0.3992248 0.2015504 0.0000000), wk = 0.0021413 k( 103) = ( 0.3953488 0.2093023 0.0000000), wk = 0.0021413 k( 104) = ( 0.3914729 0.2170543 0.0000000), wk = 0.0021413 k( 105) = ( 0.3875969 0.2248062 -0.0000000), wk = 0.0021413 k( 106) = ( 0.3837209 0.2325581 0.0000000), wk = 0.0021413 k( 107) = ( 0.3798450 0.2403101 0.0000000), wk = 0.0021413 k( 108) = ( 0.3759690 0.2480620 0.0000000), wk = 0.0021413 k( 109) = ( 0.3720930 0.2558140 0.0000000), wk = 0.0021413 k( 110) = ( 0.3682170 0.2635659 -0.0000000), wk = 0.0021413 k( 111) = ( 0.3643411 0.2713178 -0.0000000), wk = 0.0021413 k( 112) = ( 0.3604651 0.2790698 -0.0000000), wk = 0.0021413 k( 113) = ( 0.3565892 0.2868217 0.0000000), wk = 0.0021413 k( 114) = ( 0.3527132 0.2945736 0.0000000), wk = 0.0021413 k( 115) = ( 0.3488372 0.3023256 0.0000000), wk = 0.0021413 k( 116) = ( 0.3449612 0.3100775 0.0000000), wk = 0.0021413 k( 117) = ( 0.3410853 0.3178295 -0.0000000), wk = 0.0021413 k( 118) = ( 0.3372093 0.3255814 0.0000000), wk = 0.0021413 k( 119) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021413 k( 120) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021413 k( 121) = ( 0.3294118 0.3294118 0.0000000), wk = 0.0021413 k( 122) = ( 0.3254902 0.3254902 0.0000000), wk = 0.0021413 k( 123) = ( 0.3215686 0.3215686 0.0000000), wk = 0.0021413 k( 124) = ( 0.3176471 0.3176471 0.0000000), wk = 0.0021413 k( 125) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0021413 k( 126) = ( 0.3098039 0.3098039 0.0000000), wk = 0.0021413 k( 127) = ( 0.3058824 0.3058823 -0.0000000), wk = 0.0021413 k( 128) = ( 0.3019608 0.3019608 0.0000000), wk = 0.0021413 k( 129) = ( 0.2980392 0.2980392 0.0000000), wk = 0.0021413 k( 130) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0021413 k( 131) = ( 0.2901961 0.2901961 0.0000000), wk = 0.0021413 k( 132) = ( 0.2862745 0.2862745 -0.0000000), wk = 0.0021413 k( 133) = ( 0.2823529 0.2823529 0.0000000), wk = 0.0021413 k( 134) = ( 0.2784314 0.2784314 0.0000000), wk = 0.0021413 k( 135) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0021413 k( 136) = ( 0.2705882 0.2705882 0.0000000), wk = 0.0021413 k( 137) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0021413 k( 138) = ( 0.2627451 0.2627451 0.0000000), wk = 0.0021413 k( 139) = ( 0.2588235 0.2588235 0.0000000), wk = 0.0021413 k( 140) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0021413 k( 141) = ( 0.2509804 0.2509804 0.0000000), wk = 0.0021413 k( 142) = ( 0.2470588 0.2470588 0.0000000), wk = 0.0021413 k( 143) = ( 0.2431372 0.2431372 0.0000000), wk = 0.0021413 k( 144) = ( 0.2392157 0.2392157 0.0000000), wk = 0.0021413 k( 145) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0021413 k( 146) = ( 0.2313726 0.2313725 -0.0000000), wk = 0.0021413 k( 147) = ( 0.2274510 0.2274510 0.0000000), wk = 0.0021413 k( 148) = ( 0.2235294 0.2235294 0.0000000), wk = 0.0021413 k( 149) = ( 0.2196078 0.2196078 -0.0000000), wk = 0.0021413 k( 150) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0021413 k( 151) = ( 0.2117647 0.2117647 0.0000000), wk = 0.0021413 k( 152) = ( 0.2078431 0.2078431 0.0000000), wk = 0.0021413 k( 153) = ( 0.2039216 0.2039216 -0.0000000), wk = 0.0021413 k( 154) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0021413 k( 155) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0021413 k( 156) = ( 0.1921569 0.1921569 0.0000000), wk = 0.0021413 k( 157) = ( 0.1882353 0.1882353 -0.0000000), wk = 0.0021413 k( 158) = ( 0.1843137 0.1843137 0.0000000), wk = 0.0021413 k( 159) = ( 0.1803922 0.1803922 -0.0000000), wk = 0.0021413 k( 160) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0021413 k( 161) = ( 0.1725490 0.1725490 0.0000000), wk = 0.0021413 k( 162) = ( 0.1686275 0.1686274 -0.0000000), wk = 0.0021413 k( 163) = ( 0.1647059 0.1647059 0.0000000), wk = 0.0021413 k( 164) = ( 0.1607843 0.1607843 0.0000000), wk = 0.0021413 k( 165) = ( 0.1568627 0.1568628 0.0000000), wk = 0.0021413 k( 166) = ( 0.1529412 0.1529412 0.0000000), wk = 0.0021413 k( 167) = ( 0.1490196 0.1490196 0.0000000), wk = 0.0021413 k( 168) = ( 0.1450980 0.1450980 0.0000000), wk = 0.0021413 k( 169) = ( 0.1411765 0.1411765 0.0000000), wk = 0.0021413 k( 170) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0021413 k( 171) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0021413 k( 172) = ( 0.1294118 0.1294118 -0.0000000), wk = 0.0021413 k( 173) = ( 0.1254902 0.1254902 0.0000000), wk = 0.0021413 k( 174) = ( 0.1215686 0.1215686 0.0000000), wk = 0.0021413 k( 175) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0021413 k( 176) = ( 0.1137255 0.1137255 0.0000000), wk = 0.0021413 k( 177) = ( 0.1098039 0.1098039 -0.0000000), wk = 0.0021413 k( 178) = ( 0.1058824 0.1058824 0.0000000), wk = 0.0021413 k( 179) = ( 0.1019608 0.1019608 0.0000000), wk = 0.0021413 k( 180) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0021413 k( 181) = ( 0.0941176 0.0941176 0.0000000), wk = 0.0021413 k( 182) = ( 0.0901961 0.0901961 -0.0000000), wk = 0.0021413 k( 183) = ( 0.0862745 0.0862745 0.0000000), wk = 0.0021413 k( 184) = ( 0.0823529 0.0823529 0.0000000), wk = 0.0021413 k( 185) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0021413 k( 186) = ( 0.0745098 0.0745098 0.0000000), wk = 0.0021413 k( 187) = ( 0.0705882 0.0705882 -0.0000000), wk = 0.0021413 k( 188) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0021413 k( 189) = ( 0.0627451 0.0627451 0.0000000), wk = 0.0021413 k( 190) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0021413 k( 191) = ( 0.0549020 0.0549020 -0.0000000), wk = 0.0021413 k( 192) = ( 0.0509804 0.0509804 0.0000000), wk = 0.0021413 k( 193) = ( 0.0470588 0.0470588 0.0000000), wk = 0.0021413 k( 194) = ( 0.0431373 0.0431373 -0.0000000), wk = 0.0021413 k( 195) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0021413 k( 196) = ( 0.0352941 0.0352941 -0.0000000), wk = 0.0021413 k( 197) = ( 0.0313725 0.0313725 0.0000000), wk = 0.0021413 k( 198) = ( 0.0274510 0.0274510 -0.0000000), wk = 0.0021413 k( 199) = ( 0.0235294 0.0235294 0.0000000), wk = 0.0021413 k( 200) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0021413 k( 201) = ( 0.0156863 0.0156863 0.0000000), wk = 0.0021413 k( 202) = ( 0.0117647 0.0117647 0.0000000), wk = 0.0021413 k( 203) = ( 0.0078431 0.0078431 0.0000000), wk = 0.0021413 k( 204) = ( 0.0039216 0.0039216 0.0000000), wk = 0.0021413 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 207) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0021413 k( 208) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0021413 k( 209) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0021413 k( 210) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0021413 k( 211) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0021413 k( 212) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021413 k( 213) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0021413 k( 214) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0021413 k( 215) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021413 k( 216) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0021413 k( 217) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0021413 k( 218) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021413 k( 219) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0021413 k( 220) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0021413 k( 221) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0021413 k( 222) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0021413 k( 223) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0021413 k( 224) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021413 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021413 k( 226) = ( 0.0067568 -0.0000000 0.5000000), wk = 0.0021413 k( 227) = ( 0.0135135 -0.0000000 0.5000000), wk = 0.0021413 k( 228) = ( 0.0202703 0.0000000 0.5000000), wk = 0.0021413 k( 229) = ( 0.0270270 -0.0000000 0.5000000), wk = 0.0021413 k( 230) = ( 0.0337838 0.0000000 0.5000000), wk = 0.0021413 k( 231) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0021413 k( 232) = ( 0.0472973 -0.0000000 0.5000000), wk = 0.0021413 k( 233) = ( 0.0540540 -0.0000000 0.5000000), wk = 0.0021413 k( 234) = ( 0.0608108 -0.0000000 0.5000000), wk = 0.0021413 k( 235) = ( 0.0675676 0.0000000 0.5000000), wk = 0.0021413 k( 236) = ( 0.0743243 -0.0000000 0.5000000), wk = 0.0021413 k( 237) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0021413 k( 238) = ( 0.0878378 0.0000000 0.5000000), wk = 0.0021413 k( 239) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0021413 k( 240) = ( 0.1013514 0.0000000 0.5000000), wk = 0.0021413 k( 241) = ( 0.1081081 -0.0000000 0.5000000), wk = 0.0021413 k( 242) = ( 0.1148649 0.0000000 0.5000000), wk = 0.0021413 k( 243) = ( 0.1216216 -0.0000000 0.5000000), wk = 0.0021413 k( 244) = ( 0.1283784 0.0000000 0.5000000), wk = 0.0021413 k( 245) = ( 0.1351351 0.0000000 0.5000000), wk = 0.0021413 k( 246) = ( 0.1418919 0.0000000 0.5000000), wk = 0.0021413 k( 247) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0021413 k( 248) = ( 0.1554054 0.0000000 0.5000000), wk = 0.0021413 k( 249) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0021413 k( 250) = ( 0.1689189 -0.0000000 0.5000000), wk = 0.0021413 k( 251) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0021413 k( 252) = ( 0.1824324 0.0000000 0.5000000), wk = 0.0021413 k( 253) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0021413 k( 254) = ( 0.1959460 -0.0000000 0.5000000), wk = 0.0021413 k( 255) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0021413 k( 256) = ( 0.2094595 -0.0000000 0.5000000), wk = 0.0021413 k( 257) = ( 0.2162162 -0.0000000 0.5000000), wk = 0.0021413 k( 258) = ( 0.2229730 -0.0000000 0.5000000), wk = 0.0021413 k( 259) = ( 0.2297297 -0.0000000 0.5000000), wk = 0.0021413 k( 260) = ( 0.2364865 -0.0000000 0.5000000), wk = 0.0021413 k( 261) = ( 0.2432432 -0.0000000 0.5000000), wk = 0.0021413 k( 262) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0021413 k( 263) = ( 0.2567568 0.0000000 0.5000000), wk = 0.0021413 k( 264) = ( 0.2635135 0.0000000 0.5000000), wk = 0.0021413 k( 265) = ( 0.2702703 -0.0000000 0.5000000), wk = 0.0021413 k( 266) = ( 0.2770270 0.0000000 0.5000000), wk = 0.0021413 k( 267) = ( 0.2837838 0.0000000 0.5000000), wk = 0.0021413 k( 268) = ( 0.2905405 0.0000000 0.5000000), wk = 0.0021413 k( 269) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0021413 k( 270) = ( 0.3040541 0.0000000 0.5000000), wk = 0.0021413 k( 271) = ( 0.3108108 -0.0000000 0.5000000), wk = 0.0021413 k( 272) = ( 0.3175676 0.0000000 0.5000000), wk = 0.0021413 k( 273) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0021413 k( 274) = ( 0.3310811 0.0000000 0.5000000), wk = 0.0021413 k( 275) = ( 0.3378378 -0.0000000 0.5000000), wk = 0.0021413 k( 276) = ( 0.3445946 -0.0000000 0.5000000), wk = 0.0021413 k( 277) = ( 0.3513514 -0.0000000 0.5000000), wk = 0.0021413 k( 278) = ( 0.3581081 0.0000000 0.5000000), wk = 0.0021413 k( 279) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0021413 k( 280) = ( 0.3716216 0.0000000 0.5000000), wk = 0.0021413 k( 281) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0021413 k( 282) = ( 0.3851351 -0.0000000 0.5000000), wk = 0.0021413 k( 283) = ( 0.3918919 -0.0000000 0.5000000), wk = 0.0021413 k( 284) = ( 0.3986486 0.0000000 0.5000000), wk = 0.0021413 k( 285) = ( 0.4054054 -0.0000000 0.5000000), wk = 0.0021413 k( 286) = ( 0.4121622 -0.0000000 0.5000000), wk = 0.0021413 k( 287) = ( 0.4189189 -0.0000000 0.5000000), wk = 0.0021413 k( 288) = ( 0.4256757 -0.0000000 0.5000000), wk = 0.0021413 k( 289) = ( 0.4324324 -0.0000000 0.5000000), wk = 0.0021413 k( 290) = ( 0.4391892 -0.0000000 0.5000000), wk = 0.0021413 k( 291) = ( 0.4459459 -0.0000000 0.5000000), wk = 0.0021413 k( 292) = ( 0.4527027 -0.0000000 0.5000000), wk = 0.0021413 k( 293) = ( 0.4594595 -0.0000000 0.5000000), wk = 0.0021413 k( 294) = ( 0.4662162 -0.0000000 0.5000000), wk = 0.0021413 k( 295) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0021413 k( 296) = ( 0.4797297 -0.0000000 0.5000000), wk = 0.0021413 k( 297) = ( 0.4864865 -0.0000000 0.5000000), wk = 0.0021413 k( 298) = ( 0.4932432 -0.0000000 0.5000000), wk = 0.0021413 k( 299) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021413 k( 300) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021413 k( 301) = ( 0.4961240 0.0077519 0.5000000), wk = 0.0021413 k( 302) = ( 0.4922481 0.0155039 0.5000000), wk = 0.0021413 k( 303) = ( 0.4883721 0.0232558 0.5000000), wk = 0.0021413 k( 304) = ( 0.4844961 0.0310078 0.5000000), wk = 0.0021413 k( 305) = ( 0.4806202 0.0387597 0.5000000), wk = 0.0021413 k( 306) = ( 0.4767442 0.0465116 0.5000000), wk = 0.0021413 k( 307) = ( 0.4728682 0.0542636 0.5000000), wk = 0.0021413 k( 308) = ( 0.4689922 0.0620155 0.5000000), wk = 0.0021413 k( 309) = ( 0.4651163 0.0697674 0.5000000), wk = 0.0021413 k( 310) = ( 0.4612403 0.0775194 0.5000000), wk = 0.0021413 k( 311) = ( 0.4573643 0.0852713 0.5000000), wk = 0.0021413 k( 312) = ( 0.4534884 0.0930233 0.5000000), wk = 0.0021413 k( 313) = ( 0.4496124 0.1007752 0.5000000), wk = 0.0021413 k( 314) = ( 0.4457364 0.1085271 0.5000000), wk = 0.0021413 k( 315) = ( 0.4418605 0.1162791 0.5000000), wk = 0.0021413 k( 316) = ( 0.4379845 0.1240310 0.5000000), wk = 0.0021413 k( 317) = ( 0.4341085 0.1317830 0.5000000), wk = 0.0021413 k( 318) = ( 0.4302326 0.1395349 0.5000000), wk = 0.0021413 k( 319) = ( 0.4263566 0.1472868 0.5000000), wk = 0.0021413 k( 320) = ( 0.4224806 0.1550388 0.5000000), wk = 0.0021413 k( 321) = ( 0.4186047 0.1627907 0.5000000), wk = 0.0021413 k( 322) = ( 0.4147287 0.1705426 0.5000000), wk = 0.0021413 k( 323) = ( 0.4108527 0.1782946 0.5000000), wk = 0.0021413 k( 324) = ( 0.4069767 0.1860465 0.5000000), wk = 0.0021413 k( 325) = ( 0.4031008 0.1937985 0.5000000), wk = 0.0021413 k( 326) = ( 0.3992248 0.2015504 0.5000000), wk = 0.0021413 k( 327) = ( 0.3953488 0.2093023 0.5000000), wk = 0.0021413 k( 328) = ( 0.3914729 0.2170543 0.5000000), wk = 0.0021413 k( 329) = ( 0.3875969 0.2248062 0.5000000), wk = 0.0021413 k( 330) = ( 0.3837209 0.2325581 0.5000000), wk = 0.0021413 k( 331) = ( 0.3798450 0.2403101 0.5000000), wk = 0.0021413 k( 332) = ( 0.3759690 0.2480620 0.5000000), wk = 0.0021413 k( 333) = ( 0.3720930 0.2558140 0.5000000), wk = 0.0021413 k( 334) = ( 0.3682170 0.2635659 0.5000000), wk = 0.0021413 k( 335) = ( 0.3643411 0.2713178 0.5000000), wk = 0.0021413 k( 336) = ( 0.3604651 0.2790698 0.5000000), wk = 0.0021413 k( 337) = ( 0.3565892 0.2868217 0.5000000), wk = 0.0021413 k( 338) = ( 0.3527132 0.2945736 0.5000000), wk = 0.0021413 k( 339) = ( 0.3488372 0.3023256 0.5000000), wk = 0.0021413 k( 340) = ( 0.3449612 0.3100775 0.5000000), wk = 0.0021413 k( 341) = ( 0.3410853 0.3178295 0.5000000), wk = 0.0021413 k( 342) = ( 0.3372093 0.3255814 0.5000000), wk = 0.0021413 k( 343) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021413 k( 344) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021413 k( 345) = ( 0.3294118 0.3294118 0.5000000), wk = 0.0021413 k( 346) = ( 0.3254902 0.3254902 0.5000000), wk = 0.0021413 k( 347) = ( 0.3215686 0.3215686 0.5000000), wk = 0.0021413 k( 348) = ( 0.3176471 0.3176471 0.5000000), wk = 0.0021413 k( 349) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0021413 k( 350) = ( 0.3098039 0.3098039 0.5000000), wk = 0.0021413 k( 351) = ( 0.3058824 0.3058823 0.5000000), wk = 0.0021413 k( 352) = ( 0.3019608 0.3019608 0.5000000), wk = 0.0021413 k( 353) = ( 0.2980392 0.2980392 0.5000000), wk = 0.0021413 k( 354) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0021413 k( 355) = ( 0.2901961 0.2901961 0.5000000), wk = 0.0021413 k( 356) = ( 0.2862745 0.2862745 0.5000000), wk = 0.0021413 k( 357) = ( 0.2823529 0.2823529 0.5000000), wk = 0.0021413 k( 358) = ( 0.2784314 0.2784314 0.5000000), wk = 0.0021413 k( 359) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0021413 k( 360) = ( 0.2705882 0.2705882 0.5000000), wk = 0.0021413 k( 361) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0021413 k( 362) = ( 0.2627451 0.2627451 0.5000000), wk = 0.0021413 k( 363) = ( 0.2588235 0.2588235 0.5000000), wk = 0.0021413 k( 364) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0021413 k( 365) = ( 0.2509804 0.2509804 0.5000000), wk = 0.0021413 k( 366) = ( 0.2470588 0.2470588 0.5000000), wk = 0.0021413 k( 367) = ( 0.2431372 0.2431372 0.5000000), wk = 0.0021413 k( 368) = ( 0.2392157 0.2392157 0.5000000), wk = 0.0021413 k( 369) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0021413 k( 370) = ( 0.2313726 0.2313725 0.5000000), wk = 0.0021413 k( 371) = ( 0.2274510 0.2274510 0.5000000), wk = 0.0021413 k( 372) = ( 0.2235294 0.2235294 0.5000000), wk = 0.0021413 k( 373) = ( 0.2196078 0.2196078 0.5000000), wk = 0.0021413 k( 374) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0021413 k( 375) = ( 0.2117647 0.2117647 0.5000000), wk = 0.0021413 k( 376) = ( 0.2078431 0.2078431 0.5000000), wk = 0.0021413 k( 377) = ( 0.2039216 0.2039216 0.5000000), wk = 0.0021413 k( 378) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0021413 k( 379) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0021413 k( 380) = ( 0.1921569 0.1921569 0.5000000), wk = 0.0021413 k( 381) = ( 0.1882353 0.1882353 0.5000000), wk = 0.0021413 k( 382) = ( 0.1843137 0.1843137 0.5000000), wk = 0.0021413 k( 383) = ( 0.1803922 0.1803922 0.5000000), wk = 0.0021413 k( 384) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0021413 k( 385) = ( 0.1725490 0.1725490 0.5000000), wk = 0.0021413 k( 386) = ( 0.1686275 0.1686274 0.5000000), wk = 0.0021413 k( 387) = ( 0.1647059 0.1647059 0.5000000), wk = 0.0021413 k( 388) = ( 0.1607843 0.1607843 0.5000000), wk = 0.0021413 k( 389) = ( 0.1568627 0.1568628 0.5000000), wk = 0.0021413 k( 390) = ( 0.1529412 0.1529412 0.5000000), wk = 0.0021413 k( 391) = ( 0.1490196 0.1490196 0.5000000), wk = 0.0021413 k( 392) = ( 0.1450980 0.1450980 0.5000000), wk = 0.0021413 k( 393) = ( 0.1411765 0.1411765 0.5000000), wk = 0.0021413 k( 394) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0021413 k( 395) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0021413 k( 396) = ( 0.1294118 0.1294118 0.5000000), wk = 0.0021413 k( 397) = ( 0.1254902 0.1254902 0.5000000), wk = 0.0021413 k( 398) = ( 0.1215686 0.1215686 0.5000000), wk = 0.0021413 k( 399) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0021413 k( 400) = ( 0.1137255 0.1137255 0.5000000), wk = 0.0021413 k( 401) = ( 0.1098039 0.1098039 0.5000000), wk = 0.0021413 k( 402) = ( 0.1058824 0.1058824 0.5000000), wk = 0.0021413 k( 403) = ( 0.1019608 0.1019608 0.5000000), wk = 0.0021413 k( 404) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0021413 k( 405) = ( 0.0941176 0.0941176 0.5000000), wk = 0.0021413 k( 406) = ( 0.0901961 0.0901961 0.5000000), wk = 0.0021413 k( 407) = ( 0.0862745 0.0862745 0.5000000), wk = 0.0021413 k( 408) = ( 0.0823529 0.0823529 0.5000000), wk = 0.0021413 k( 409) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0021413 k( 410) = ( 0.0745098 0.0745098 0.5000000), wk = 0.0021413 k( 411) = ( 0.0705882 0.0705882 0.5000000), wk = 0.0021413 k( 412) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0021413 k( 413) = ( 0.0627451 0.0627451 0.5000000), wk = 0.0021413 k( 414) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0021413 k( 415) = ( 0.0549020 0.0549020 0.5000000), wk = 0.0021413 k( 416) = ( 0.0509804 0.0509804 0.5000000), wk = 0.0021413 k( 417) = ( 0.0470588 0.0470588 0.5000000), wk = 0.0021413 k( 418) = ( 0.0431373 0.0431373 0.5000000), wk = 0.0021413 k( 419) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0021413 k( 420) = ( 0.0352941 0.0352941 0.5000000), wk = 0.0021413 k( 421) = ( 0.0313725 0.0313725 0.5000000), wk = 0.0021413 k( 422) = ( 0.0274510 0.0274510 0.5000000), wk = 0.0021413 k( 423) = ( 0.0235294 0.0235294 0.5000000), wk = 0.0021413 k( 424) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0021413 k( 425) = ( 0.0156863 0.0156863 0.5000000), wk = 0.0021413 k( 426) = ( 0.0117647 0.0117647 0.5000000), wk = 0.0021413 k( 427) = ( 0.0078431 0.0078431 0.5000000), wk = 0.0021413 k( 428) = ( 0.0039216 0.0039216 0.5000000), wk = 0.0021413 k( 429) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021413 k( 430) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021413 k( 431) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0021413 k( 432) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0021413 k( 433) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0021413 k( 434) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0021413 k( 435) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0021413 k( 436) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0021413 k( 437) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0021413 k( 438) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0021413 k( 439) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0021413 k( 440) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0021413 k( 441) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0021413 k( 442) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0021413 k( 443) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0021413 k( 444) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0021413 k( 445) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0021413 k( 446) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0021413 k( 447) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0021413 k( 448) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021413 k( 449) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021413 k( 450) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0021413 k( 451) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0021413 k( 452) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0021413 k( 453) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0021413 k( 454) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0021413 k( 455) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0021413 k( 456) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0021413 k( 457) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0021413 k( 458) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0021413 k( 459) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0021413 k( 460) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0021413 k( 461) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0021413 k( 462) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0021413 k( 463) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0021413 k( 464) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0021413 k( 465) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0021413 k( 466) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0021413 k( 467) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021413 Dense grid: 31507 G-vectors FFT dimensions: ( 27, 27, 100) Smooth grid: 11241 G-vectors FFT dimensions: ( 20, 20, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 70, 24) NL pseudopotentials 0.03 Mb ( 35, 56) Each V/rho on FFT grid 0.03 Mb ( 2187) Each G-vector array 0.01 Mb ( 882) G-vector shells 0.00 Mb ( 417) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 70, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 56, 2, 24) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./C.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.0 secs Computing kpt #: 2 total cpu time spent up to now is 1.1 secs Computing kpt #: 3 total cpu time spent up to now is 1.2 secs Computing kpt #: 4 total cpu time spent up to now is 1.3 secs Computing kpt #: 5 total cpu time spent up to now is 1.4 secs Computing kpt #: 6 total cpu time spent up to now is 1.5 secs Computing kpt #: 7 total cpu time spent up to now is 1.6 secs Computing kpt #: 8 total cpu time spent up to now is 1.6 secs Computing kpt #: 9 total cpu time spent up to now is 1.7 secs Computing kpt #: 10 total cpu time spent up to now is 1.8 secs Computing kpt #: 11 total cpu time spent up to now is 1.9 secs Computing kpt #: 12 total cpu time spent up to now is 2.0 secs Computing kpt #: 13 total cpu time spent up to now is 2.1 secs Computing kpt #: 14 total cpu time spent up to now is 2.1 secs Computing kpt #: 15 total cpu time spent up to now is 2.2 secs Computing kpt #: 16 total cpu time spent up to now is 2.3 secs Computing kpt #: 17 total cpu time spent up to now is 2.4 secs Computing kpt #: 18 total cpu time spent up to now is 2.5 secs Computing kpt #: 19 total cpu time spent up to now is 2.5 secs Computing kpt #: 20 total cpu time spent up to now is 2.6 secs Computing kpt #: 21 total cpu time spent up to now is 2.7 secs Computing kpt #: 22 total cpu time spent up to now is 2.7 secs Computing kpt #: 23 total cpu time spent up to now is 2.8 secs Computing kpt #: 24 total cpu time spent up to now is 2.9 secs Computing kpt #: 25 total cpu time spent up to now is 2.9 secs Computing kpt #: 26 total cpu time spent up to now is 3.0 secs Computing kpt #: 27 total cpu time spent up to now is 3.1 secs Computing kpt #: 28 total cpu time spent up to now is 3.2 secs Computing kpt #: 29 total cpu time spent up to now is 3.2 secs Computing kpt #: 30 total cpu time spent up to now is 3.3 secs Computing kpt #: 31 total cpu time spent up to now is 3.4 secs Computing kpt #: 32 total cpu time spent up to now is 3.5 secs Computing kpt #: 33 total cpu time spent up to now is 3.6 secs Computing kpt #: 34 total cpu time spent up to now is 3.7 secs Computing kpt #: 35 total cpu time spent up to now is 3.8 secs Computing kpt #: 36 total cpu time spent up to now is 3.8 secs Computing kpt #: 37 total cpu time spent up to now is 3.9 secs Computing kpt #: 38 total cpu time spent up to now is 4.0 secs Computing kpt #: 39 total cpu time spent up to now is 4.1 secs Computing kpt #: 40 total cpu time spent up to now is 4.2 secs Computing kpt #: 41 total cpu time spent up to now is 4.3 secs Computing kpt #: 42 total cpu time spent up to now is 4.4 secs Computing kpt #: 43 total cpu time spent up to now is 4.5 secs Computing kpt #: 44 total cpu time spent up to now is 4.6 secs Computing kpt #: 45 total cpu time spent up to now is 4.6 secs Computing kpt #: 46 total cpu time spent up to now is 4.7 secs Computing kpt #: 47 total cpu time spent up to now is 4.8 secs Computing kpt #: 48 total cpu time spent up to now is 4.9 secs Computing kpt #: 49 total cpu time spent up to now is 5.0 secs Computing kpt #: 50 total cpu time spent up to now is 5.1 secs Computing kpt #: 51 total cpu time spent up to now is 5.1 secs Computing kpt #: 52 total cpu time spent up to now is 5.2 secs Computing kpt #: 53 total cpu time spent up to now is 5.3 secs Computing kpt #: 54 total cpu time spent up to now is 5.4 secs Computing kpt #: 55 total cpu time spent up to now is 5.5 secs Computing kpt #: 56 total cpu time spent up to now is 5.6 secs Computing kpt #: 57 total cpu time spent up to now is 5.7 secs Computing kpt #: 58 total cpu time spent up to now is 5.8 secs Computing kpt #: 59 total cpu time spent up to now is 5.9 secs Computing kpt #: 60 total cpu time spent up to now is 6.3 secs Computing kpt #: 61 total cpu time spent up to now is 6.4 secs Computing kpt #: 62 total cpu time spent up to now is 6.5 secs Computing kpt #: 63 total cpu time spent up to now is 6.6 secs Computing kpt #: 64 total cpu time spent up to now is 6.6 secs Computing kpt #: 65 total cpu time spent up to now is 6.7 secs Computing kpt #: 66 total cpu time spent up to now is 6.8 secs Computing kpt #: 67 total cpu time spent up to now is 6.9 secs Computing kpt #: 68 total cpu time spent up to now is 6.9 secs Computing kpt #: 69 total cpu time spent up to now is 7.0 secs Computing kpt #: 70 total cpu time spent up to now is 7.2 secs Computing kpt #: 71 total cpu time spent up to now is 7.3 secs Computing kpt #: 72 total cpu time spent up to now is 7.3 secs Computing kpt #: 73 total cpu time spent up to now is 7.4 secs Computing kpt #: 74 total cpu time spent up to now is 7.5 secs Computing kpt #: 75 total cpu time spent up to now is 7.5 secs Computing kpt #: 76 total cpu time spent up to now is 7.6 secs Computing kpt #: 77 total cpu time spent up to now is 7.7 secs Computing kpt #: 78 total cpu time spent up to now is 7.7 secs Computing kpt #: 79 total cpu time spent up to now is 7.8 secs Computing kpt #: 80 total cpu time spent up to now is 7.9 secs Computing kpt #: 81 total cpu time spent up to now is 7.9 secs Computing kpt #: 82 total cpu time spent up to now is 8.0 secs Computing kpt #: 83 total cpu time spent up to now is 8.1 secs Computing kpt #: 84 total cpu time spent up to now is 8.2 secs Computing kpt #: 85 total cpu time spent up to now is 8.2 secs Computing kpt #: 86 total cpu time spent up to now is 8.3 secs Computing kpt #: 87 total cpu time spent up to now is 8.4 secs Computing kpt #: 88 total cpu time spent up to now is 8.4 secs Computing kpt #: 89 total cpu time spent up to now is 8.5 secs Computing kpt #: 90 total cpu time spent up to now is 8.6 secs Computing kpt #: 91 total cpu time spent up to now is 8.6 secs Computing kpt #: 92 total cpu time spent up to now is 8.7 secs Computing kpt #: 93 total cpu time spent up to now is 8.8 secs Computing kpt #: 94 total cpu time spent up to now is 8.9 secs Computing kpt #: 95 total cpu time spent up to now is 8.9 secs Computing kpt #: 96 total cpu time spent up to now is 9.0 secs Computing kpt #: 97 total cpu time spent up to now is 9.1 secs Computing kpt #: 98 total cpu time spent up to now is 9.2 secs Computing kpt #: 99 total cpu time spent up to now is 9.2 secs Computing kpt #: 100 total cpu time spent up to now is 9.3 secs Computing kpt #: 101 total cpu time spent up to now is 9.4 secs Computing kpt #: 102 total cpu time spent up to now is 9.5 secs Computing kpt #: 103 total cpu time spent up to now is 9.6 secs Computing kpt #: 104 total cpu time spent up to now is 9.7 secs Computing kpt #: 105 total cpu time spent up to now is 9.9 secs Computing kpt #: 106 total cpu time spent up to now is 10.1 secs Computing kpt #: 107 total cpu time spent up to now is 10.3 secs Computing kpt #: 108 total cpu time spent up to now is 10.4 secs Computing kpt #: 109 total cpu time spent up to now is 10.6 secs Computing kpt #: 110 total cpu time spent up to now is 10.7 secs Computing kpt #: 111 total cpu time spent up to now is 10.8 secs Computing kpt #: 112 total cpu time spent up to now is 11.0 secs Computing kpt #: 113 total cpu time spent up to now is 11.1 secs Computing kpt #: 114 total cpu time spent up to now is 11.2 secs Computing kpt #: 115 total cpu time spent up to now is 11.3 secs Computing kpt #: 116 total cpu time spent up to now is 11.4 secs Computing kpt #: 117 total cpu time spent up to now is 11.5 secs Computing kpt #: 118 total cpu time spent up to now is 11.6 secs Computing kpt #: 119 total cpu time spent up to now is 11.7 secs Computing kpt #: 120 total cpu time spent up to now is 11.8 secs Computing kpt #: 121 total cpu time spent up to now is 11.9 secs Computing kpt #: 122 total cpu time spent up to now is 12.0 secs Computing kpt #: 123 total cpu time spent up to now is 12.1 secs Computing kpt #: 124 total cpu time spent up to now is 12.2 secs Computing kpt #: 125 total cpu time spent up to now is 12.3 secs Computing kpt #: 126 total cpu time spent up to now is 12.5 secs Computing kpt #: 127 total cpu time spent up to now is 12.6 secs Computing kpt #: 128 total cpu time spent up to now is 12.7 secs Computing kpt #: 129 total cpu time spent up to now is 12.8 secs Computing kpt #: 130 total cpu time spent up to now is 13.0 secs Computing kpt #: 131 total cpu time spent up to now is 13.1 secs Computing kpt #: 132 total cpu time spent up to now is 13.2 secs Computing kpt #: 133 total cpu time spent up to now is 13.3 secs Computing kpt #: 134 total cpu time spent up to now is 13.4 secs Computing kpt #: 135 total cpu time spent up to now is 13.5 secs Computing kpt #: 136 total cpu time spent up to now is 13.6 secs Computing kpt #: 137 total cpu time spent up to now is 13.7 secs Computing kpt #: 138 total cpu time spent up to now is 13.8 secs Computing kpt #: 139 total cpu time spent up to now is 13.9 secs Computing kpt #: 140 total cpu time spent up to now is 14.0 secs Computing kpt #: 141 total cpu time spent up to now is 14.1 secs Computing kpt #: 142 total cpu time spent up to now is 14.2 secs Computing kpt #: 143 total cpu time spent up to now is 14.3 secs Computing kpt #: 144 total cpu time spent up to now is 14.4 secs Computing kpt #: 145 total cpu time spent up to now is 14.5 secs Computing kpt #: 146 total cpu time spent up to now is 14.6 secs Computing kpt #: 147 total cpu time spent up to now is 14.7 secs Computing kpt #: 148 total cpu time spent up to now is 14.8 secs Computing kpt #: 149 total cpu time spent up to now is 14.9 secs Computing kpt #: 150 total cpu time spent up to now is 15.0 secs Computing kpt #: 151 total cpu time spent up to now is 15.1 secs Computing kpt #: 152 total cpu time spent up to now is 15.2 secs Computing kpt #: 153 total cpu time spent up to now is 15.3 secs Computing kpt #: 154 total cpu time spent up to now is 15.4 secs Computing kpt #: 155 total cpu time spent up to now is 15.5 secs Computing kpt #: 156 total cpu time spent up to now is 15.5 secs Computing kpt #: 157 total cpu time spent up to now is 15.6 secs Computing kpt #: 158 total cpu time spent up to now is 15.7 secs Computing kpt #: 159 total cpu time spent up to now is 15.8 secs Computing kpt #: 160 total cpu time spent up to now is 15.9 secs Computing kpt #: 161 total cpu time spent up to now is 16.0 secs Computing kpt #: 162 total cpu time spent up to now is 16.1 secs Computing kpt #: 163 total cpu time spent up to now is 16.2 secs Computing kpt #: 164 total cpu time spent up to now is 16.3 secs Computing kpt #: 165 total cpu time spent up to now is 16.3 secs Computing kpt #: 166 total cpu time spent up to now is 16.4 secs Computing kpt #: 167 total cpu time spent up to now is 16.5 secs Computing kpt #: 168 total cpu time spent up to now is 16.6 secs Computing kpt #: 169 total cpu time spent up to now is 16.6 secs Computing kpt #: 170 total cpu time spent up to now is 16.7 secs Computing kpt #: 171 total cpu time spent up to now is 16.8 secs Computing kpt #: 172 total cpu time spent up to now is 16.9 secs Computing kpt #: 173 total cpu time spent up to now is 17.0 secs Computing kpt #: 174 total cpu time spent up to now is 17.0 secs Computing kpt #: 175 total cpu time spent up to now is 17.1 secs Computing kpt #: 176 total cpu time spent up to now is 17.2 secs Computing kpt #: 177 total cpu time spent up to now is 17.3 secs Computing kpt #: 178 total cpu time spent up to now is 17.4 secs Computing kpt #: 179 total cpu time spent up to now is 17.5 secs Computing kpt #: 180 total cpu time spent up to now is 17.5 secs Computing kpt #: 181 total cpu time spent up to now is 17.6 secs Computing kpt #: 182 total cpu time spent up to now is 17.7 secs Computing kpt #: 183 total cpu time spent up to now is 17.8 secs Computing kpt #: 184 total cpu time spent up to now is 17.8 secs Computing kpt #: 185 total cpu time spent up to now is 17.9 secs Computing kpt #: 186 total cpu time spent up to now is 18.0 secs Computing kpt #: 187 total cpu time spent up to now is 18.0 secs Computing kpt #: 188 total cpu time spent up to now is 18.1 secs Computing kpt #: 189 total cpu time spent up to now is 18.2 secs Computing kpt #: 190 total cpu time spent up to now is 18.3 secs Computing kpt #: 191 total cpu time spent up to now is 18.4 secs Computing kpt #: 192 total cpu time spent up to now is 18.5 secs Computing kpt #: 193 total cpu time spent up to now is 18.6 secs Computing kpt #: 194 total cpu time spent up to now is 18.6 secs Computing kpt #: 195 total cpu time spent up to now is 18.7 secs Computing kpt #: 196 total cpu time spent up to now is 18.8 secs Computing kpt #: 197 total cpu time spent up to now is 18.9 secs Computing kpt #: 198 total cpu time spent up to now is 19.0 secs Computing kpt #: 199 total cpu time spent up to now is 19.1 secs Computing kpt #: 200 total cpu time spent up to now is 19.1 secs Computing kpt #: 201 total cpu time spent up to now is 19.2 secs Computing kpt #: 202 total cpu time spent up to now is 19.3 secs Computing kpt #: 203 total cpu time spent up to now is 19.4 secs Computing kpt #: 204 total cpu time spent up to now is 19.5 secs Computing kpt #: 205 total cpu time spent up to now is 19.6 secs Computing kpt #: 206 total cpu time spent up to now is 19.8 secs Computing kpt #: 207 total cpu time spent up to now is 19.8 secs Computing kpt #: 208 total cpu time spent up to now is 20.0 secs Computing kpt #: 209 total cpu time spent up to now is 20.0 secs Computing kpt #: 210 total cpu time spent up to now is 20.1 secs Computing kpt #: 211 total cpu time spent up to now is 20.1 secs Computing kpt #: 212 total cpu time spent up to now is 20.2 secs Computing kpt #: 213 total cpu time spent up to now is 20.3 secs Computing kpt #: 214 total cpu time spent up to now is 20.4 secs Computing kpt #: 215 total cpu time spent up to now is 20.5 secs Computing kpt #: 216 total cpu time spent up to now is 20.6 secs Computing kpt #: 217 total cpu time spent up to now is 20.7 secs Computing kpt #: 218 total cpu time spent up to now is 20.8 secs Computing kpt #: 219 total cpu time spent up to now is 20.9 secs Computing kpt #: 220 total cpu time spent up to now is 21.1 secs Computing kpt #: 221 total cpu time spent up to now is 21.2 secs Computing kpt #: 222 total cpu time spent up to now is 21.3 secs Computing kpt #: 223 total cpu time spent up to now is 21.4 secs Computing kpt #: 224 total cpu time spent up to now is 21.5 secs Computing kpt #: 225 total cpu time spent up to now is 21.6 secs Computing kpt #: 226 total cpu time spent up to now is 21.7 secs Computing kpt #: 227 total cpu time spent up to now is 21.8 secs Computing kpt #: 228 total cpu time spent up to now is 22.0 secs Computing kpt #: 229 total cpu time spent up to now is 22.0 secs Computing kpt #: 230 total cpu time spent up to now is 22.1 secs Computing kpt #: 231 total cpu time spent up to now is 22.2 secs Computing kpt #: 232 total cpu time spent up to now is 22.2 secs Computing kpt #: 233 total cpu time spent up to now is 22.3 secs Computing kpt #: 234 total cpu time spent up to now is 22.4 secs Computing kpt #: 235 total cpu time spent up to now is 22.5 secs Computing kpt #: 236 total cpu time spent up to now is 22.6 secs Computing kpt #: 237 total cpu time spent up to now is 22.7 secs Computing kpt #: 238 total cpu time spent up to now is 22.8 secs Computing kpt #: 239 total cpu time spent up to now is 22.8 secs Computing kpt #: 240 total cpu time spent up to now is 22.9 secs Computing kpt #: 241 total cpu time spent up to now is 23.0 secs Computing kpt #: 242 total cpu time spent up to now is 23.1 secs Computing kpt #: 243 total cpu time spent up to now is 23.1 secs Computing kpt #: 244 total cpu time spent up to now is 23.2 secs Computing kpt #: 245 total cpu time spent up to now is 23.3 secs Computing kpt #: 246 total cpu time spent up to now is 23.3 secs Computing kpt #: 247 total cpu time spent up to now is 23.4 secs Computing kpt #: 248 total cpu time spent up to now is 23.5 secs Computing kpt #: 249 total cpu time spent up to now is 23.6 secs Computing kpt #: 250 total cpu time spent up to now is 23.6 secs Computing kpt #: 251 total cpu time spent up to now is 23.7 secs Computing kpt #: 252 total cpu time spent up to now is 23.8 secs Computing kpt #: 253 total cpu time spent up to now is 23.9 secs Computing kpt #: 254 total cpu time spent up to now is 24.0 secs Computing kpt #: 255 total cpu time spent up to now is 24.0 secs Computing kpt #: 256 total cpu time spent up to now is 24.1 secs Computing kpt #: 257 total cpu time spent up to now is 24.2 secs Computing kpt #: 258 total cpu time spent up to now is 24.3 secs Computing kpt #: 259 total cpu time spent up to now is 24.4 secs Computing kpt #: 260 total cpu time spent up to now is 24.5 secs Computing kpt #: 261 total cpu time spent up to now is 24.6 secs Computing kpt #: 262 total cpu time spent up to now is 24.6 secs Computing kpt #: 263 total cpu time spent up to now is 24.7 secs Computing kpt #: 264 total cpu time spent up to now is 24.8 secs Computing kpt #: 265 total cpu time spent up to now is 24.9 secs Computing kpt #: 266 total cpu time spent up to now is 24.9 secs Computing kpt #: 267 total cpu time spent up to now is 25.0 secs Computing kpt #: 268 total cpu time spent up to now is 25.1 secs Computing kpt #: 269 total cpu time spent up to now is 25.2 secs Computing kpt #: 270 total cpu time spent up to now is 25.3 secs Computing kpt #: 271 total cpu time spent up to now is 25.4 secs Computing kpt #: 272 total cpu time spent up to now is 25.5 secs Computing kpt #: 273 total cpu time spent up to now is 25.6 secs Computing kpt #: 274 total cpu time spent up to now is 25.7 secs Computing kpt #: 275 total cpu time spent up to now is 25.8 secs Computing kpt #: 276 total cpu time spent up to now is 25.9 secs Computing kpt #: 277 total cpu time spent up to now is 25.9 secs Computing kpt #: 278 total cpu time spent up to now is 26.0 secs Computing kpt #: 279 total cpu time spent up to now is 26.1 secs Computing kpt #: 280 total cpu time spent up to now is 26.2 secs Computing kpt #: 281 total cpu time spent up to now is 26.3 secs Computing kpt #: 282 total cpu time spent up to now is 26.4 secs Computing kpt #: 283 total cpu time spent up to now is 26.4 secs Computing kpt #: 284 total cpu time spent up to now is 26.5 secs Computing kpt #: 285 total cpu time spent up to now is 26.6 secs Computing kpt #: 286 total cpu time spent up to now is 26.7 secs Computing kpt #: 287 total cpu time spent up to now is 26.7 secs Computing kpt #: 288 total cpu time spent up to now is 26.8 secs Computing kpt #: 289 total cpu time spent up to now is 26.9 secs Computing kpt #: 290 total cpu time spent up to now is 26.9 secs Computing kpt #: 291 total cpu time spent up to now is 27.0 secs Computing kpt #: 292 total cpu time spent up to now is 27.1 secs Computing kpt #: 293 total cpu time spent up to now is 27.1 secs Computing kpt #: 294 total cpu time spent up to now is 27.2 secs Computing kpt #: 295 total cpu time spent up to now is 27.3 secs Computing kpt #: 296 total cpu time spent up to now is 27.4 secs Computing kpt #: 297 total cpu time spent up to now is 27.4 secs Computing kpt #: 298 total cpu time spent up to now is 27.5 secs Computing kpt #: 299 total cpu time spent up to now is 27.6 secs Computing kpt #: 300 total cpu time spent up to now is 27.6 secs Computing kpt #: 301 total cpu time spent up to now is 27.7 secs Computing kpt #: 302 total cpu time spent up to now is 27.8 secs Computing kpt #: 303 total cpu time spent up to now is 27.8 secs Computing kpt #: 304 total cpu time spent up to now is 27.9 secs Computing kpt #: 305 total cpu time spent up to now is 28.0 secs Computing kpt #: 306 total cpu time spent up to now is 28.0 secs Computing kpt #: 307 total cpu time spent up to now is 28.1 secs Computing kpt #: 308 total cpu time spent up to now is 28.2 secs Computing kpt #: 309 total cpu time spent up to now is 28.2 secs Computing kpt #: 310 total cpu time spent up to now is 28.3 secs Computing kpt #: 311 total cpu time spent up to now is 28.4 secs Computing kpt #: 312 total cpu time spent up to now is 28.4 secs Computing kpt #: 313 total cpu time spent up to now is 28.5 secs Computing kpt #: 314 total cpu time spent up to now is 28.6 secs Computing kpt #: 315 total cpu time spent up to now is 28.6 secs Computing kpt #: 316 total cpu time spent up to now is 28.7 secs Computing kpt #: 317 total cpu time spent up to now is 28.8 secs Computing kpt #: 318 total cpu time spent up to now is 28.9 secs Computing kpt #: 319 total cpu time spent up to now is 29.0 secs Computing kpt #: 320 total cpu time spent up to now is 29.1 secs Computing kpt #: 321 total cpu time spent up to now is 29.2 secs Computing kpt #: 322 total cpu time spent up to now is 29.3 secs Computing kpt #: 323 total cpu time spent up to now is 29.3 secs Computing kpt #: 324 total cpu time spent up to now is 29.4 secs Computing kpt #: 325 total cpu time spent up to now is 29.5 secs Computing kpt #: 326 total cpu time spent up to now is 29.7 secs Computing kpt #: 327 total cpu time spent up to now is 29.8 secs Computing kpt #: 328 total cpu time spent up to now is 29.9 secs Computing kpt #: 329 total cpu time spent up to now is 30.0 secs Computing kpt #: 330 total cpu time spent up to now is 30.1 secs Computing kpt #: 331 total cpu time spent up to now is 30.2 secs Computing kpt #: 332 total cpu time spent up to now is 30.3 secs Computing kpt #: 333 total cpu time spent up to now is 30.4 secs Computing kpt #: 334 total cpu time spent up to now is 30.5 secs Computing kpt #: 335 total cpu time spent up to now is 30.6 secs Computing kpt #: 336 total cpu time spent up to now is 30.7 secs Computing kpt #: 337 total cpu time spent up to now is 30.8 secs Computing kpt #: 338 total cpu time spent up to now is 30.9 secs Computing kpt #: 339 total cpu time spent up to now is 31.0 secs Computing kpt #: 340 total cpu time spent up to now is 31.1 secs Computing kpt #: 341 total cpu time spent up to now is 31.2 secs Computing kpt #: 342 total cpu time spent up to now is 31.2 secs Computing kpt #: 343 total cpu time spent up to now is 31.3 secs Computing kpt #: 344 total cpu time spent up to now is 31.4 secs Computing kpt #: 345 total cpu time spent up to now is 31.5 secs Computing kpt #: 346 total cpu time spent up to now is 31.6 secs Computing kpt #: 347 total cpu time spent up to now is 31.7 secs Computing kpt #: 348 total cpu time spent up to now is 31.8 secs Computing kpt #: 349 total cpu time spent up to now is 31.9 secs Computing kpt #: 350 total cpu time spent up to now is 32.0 secs Computing kpt #: 351 total cpu time spent up to now is 32.1 secs Computing kpt #: 352 total cpu time spent up to now is 32.2 secs Computing kpt #: 353 total cpu time spent up to now is 32.3 secs Computing kpt #: 354 total cpu time spent up to now is 32.4 secs Computing kpt #: 355 total cpu time spent up to now is 32.4 secs Computing kpt #: 356 total cpu time spent up to now is 32.6 secs Computing kpt #: 357 total cpu time spent up to now is 32.7 secs Computing kpt #: 358 total cpu time spent up to now is 32.8 secs Computing kpt #: 359 total cpu time spent up to now is 32.9 secs Computing kpt #: 360 total cpu time spent up to now is 33.0 secs Computing kpt #: 361 total cpu time spent up to now is 33.1 secs Computing kpt #: 362 total cpu time spent up to now is 33.2 secs Computing kpt #: 363 total cpu time spent up to now is 33.3 secs Computing kpt #: 364 total cpu time spent up to now is 33.3 secs Computing kpt #: 365 total cpu time spent up to now is 33.4 secs Computing kpt #: 366 total cpu time spent up to now is 33.5 secs Computing kpt #: 367 total cpu time spent up to now is 33.6 secs Computing kpt #: 368 total cpu time spent up to now is 33.7 secs Computing kpt #: 369 total cpu time spent up to now is 33.8 secs Computing kpt #: 370 total cpu time spent up to now is 33.9 secs Computing kpt #: 371 total cpu time spent up to now is 33.9 secs Computing kpt #: 372 total cpu time spent up to now is 34.0 secs Computing kpt #: 373 total cpu time spent up to now is 34.1 secs Computing kpt #: 374 total cpu time spent up to now is 34.2 secs Computing kpt #: 375 total cpu time spent up to now is 34.3 secs Computing kpt #: 376 total cpu time spent up to now is 34.3 secs Computing kpt #: 377 total cpu time spent up to now is 34.4 secs Computing kpt #: 378 total cpu time spent up to now is 34.5 secs Computing kpt #: 379 total cpu time spent up to now is 34.6 secs Computing kpt #: 380 total cpu time spent up to now is 34.7 secs Computing kpt #: 381 total cpu time spent up to now is 34.7 secs Computing kpt #: 382 total cpu time spent up to now is 34.8 secs Computing kpt #: 383 total cpu time spent up to now is 34.9 secs Computing kpt #: 384 total cpu time spent up to now is 35.0 secs Computing kpt #: 385 total cpu time spent up to now is 35.0 secs Computing kpt #: 386 total cpu time spent up to now is 35.1 secs Computing kpt #: 387 total cpu time spent up to now is 35.2 secs Computing kpt #: 388 total cpu time spent up to now is 35.3 secs Computing kpt #: 389 total cpu time spent up to now is 35.3 secs Computing kpt #: 390 total cpu time spent up to now is 35.4 secs Computing kpt #: 391 total cpu time spent up to now is 35.5 secs Computing kpt #: 392 total cpu time spent up to now is 35.6 secs Computing kpt #: 393 total cpu time spent up to now is 35.6 secs Computing kpt #: 394 total cpu time spent up to now is 35.7 secs Computing kpt #: 395 total cpu time spent up to now is 35.8 secs Computing kpt #: 396 total cpu time spent up to now is 35.8 secs Computing kpt #: 397 total cpu time spent up to now is 35.9 secs Computing kpt #: 398 total cpu time spent up to now is 36.0 secs Computing kpt #: 399 total cpu time spent up to now is 36.0 secs Computing kpt #: 400 total cpu time spent up to now is 36.1 secs Computing kpt #: 401 total cpu time spent up to now is 36.2 secs Computing kpt #: 402 total cpu time spent up to now is 36.3 secs Computing kpt #: 403 total cpu time spent up to now is 36.4 secs Computing kpt #: 404 total cpu time spent up to now is 36.5 secs Computing kpt #: 405 total cpu time spent up to now is 36.5 secs Computing kpt #: 406 total cpu time spent up to now is 36.6 secs Computing kpt #: 407 total cpu time spent up to now is 36.7 secs Computing kpt #: 408 total cpu time spent up to now is 36.8 secs Computing kpt #: 409 total cpu time spent up to now is 36.8 secs Computing kpt #: 410 total cpu time spent up to now is 36.9 secs Computing kpt #: 411 total cpu time spent up to now is 37.0 secs Computing kpt #: 412 total cpu time spent up to now is 37.0 secs Computing kpt #: 413 total cpu time spent up to now is 37.1 secs Computing kpt #: 414 total cpu time spent up to now is 37.2 secs Computing kpt #: 415 total cpu time spent up to now is 37.3 secs Computing kpt #: 416 total cpu time spent up to now is 37.4 secs Computing kpt #: 417 total cpu time spent up to now is 37.5 secs Computing kpt #: 418 total cpu time spent up to now is 37.6 secs Computing kpt #: 419 total cpu time spent up to now is 37.7 secs Computing kpt #: 420 total cpu time spent up to now is 37.7 secs Computing kpt #: 421 total cpu time spent up to now is 37.8 secs Computing kpt #: 422 total cpu time spent up to now is 37.9 secs Computing kpt #: 423 total cpu time spent up to now is 38.0 secs Computing kpt #: 424 total cpu time spent up to now is 38.1 secs Computing kpt #: 425 total cpu time spent up to now is 38.1 secs Computing kpt #: 426 total cpu time spent up to now is 38.2 secs Computing kpt #: 427 total cpu time spent up to now is 38.3 secs Computing kpt #: 428 total cpu time spent up to now is 38.5 secs Computing kpt #: 429 total cpu time spent up to now is 38.6 secs Computing kpt #: 430 total cpu time spent up to now is 38.6 secs Computing kpt #: 431 total cpu time spent up to now is 38.7 secs Computing kpt #: 432 total cpu time spent up to now is 38.8 secs Computing kpt #: 433 total cpu time spent up to now is 38.8 secs Computing kpt #: 434 total cpu time spent up to now is 38.9 secs Computing kpt #: 435 total cpu time spent up to now is 39.0 secs Computing kpt #: 436 total cpu time spent up to now is 39.0 secs Computing kpt #: 437 total cpu time spent up to now is 39.1 secs Computing kpt #: 438 total cpu time spent up to now is 39.2 secs Computing kpt #: 439 total cpu time spent up to now is 39.3 secs Computing kpt #: 440 total cpu time spent up to now is 39.3 secs Computing kpt #: 441 total cpu time spent up to now is 39.4 secs Computing kpt #: 442 total cpu time spent up to now is 39.5 secs Computing kpt #: 443 total cpu time spent up to now is 39.5 secs Computing kpt #: 444 total cpu time spent up to now is 39.6 secs Computing kpt #: 445 total cpu time spent up to now is 39.7 secs Computing kpt #: 446 total cpu time spent up to now is 39.8 secs Computing kpt #: 447 total cpu time spent up to now is 39.8 secs Computing kpt #: 448 total cpu time spent up to now is 39.9 secs Computing kpt #: 449 total cpu time spent up to now is 40.0 secs Computing kpt #: 450 total cpu time spent up to now is 40.1 secs Computing kpt #: 451 total cpu time spent up to now is 40.2 secs Computing kpt #: 452 total cpu time spent up to now is 40.3 secs Computing kpt #: 453 total cpu time spent up to now is 40.4 secs Computing kpt #: 454 total cpu time spent up to now is 40.5 secs Computing kpt #: 455 total cpu time spent up to now is 40.6 secs Computing kpt #: 456 total cpu time spent up to now is 40.7 secs Computing kpt #: 457 total cpu time spent up to now is 40.8 secs Computing kpt #: 458 total cpu time spent up to now is 40.9 secs Computing kpt #: 459 total cpu time spent up to now is 41.0 secs Computing kpt #: 460 total cpu time spent up to now is 41.1 secs Computing kpt #: 461 total cpu time spent up to now is 41.2 secs Computing kpt #: 462 total cpu time spent up to now is 41.3 secs Computing kpt #: 463 total cpu time spent up to now is 41.4 secs Computing kpt #: 464 total cpu time spent up to now is 41.5 secs Computing kpt #: 465 total cpu time spent up to now is 41.6 secs Computing kpt #: 466 total cpu time spent up to now is 41.7 secs Computing kpt #: 467 total cpu time spent up to now is 41.8 secs ethr = 6.25E-08, avg # of iterations = 15.2 total cpu time spent up to now is 41.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1427 PWs) bands (ev): -15.2153 -15.2153 -15.1908 -15.1908 -3.4961 -3.4961 -3.1183 -3.1183 1.2149 1.2149 1.2159 1.2159 1.2240 1.2240 1.2250 1.2250 7.2889 7.2889 10.2749 10.2749 12.5925 12.5929 12.5962 12.5963 k = 0.0068 0.0039-0.0000 ( 1421 PWs) bands (ev): -15.2142 -15.2142 -15.1897 -15.1897 -3.4948 -3.4948 -3.1170 -3.1170 1.2116 1.2116 1.2124 1.2124 1.2210 1.2210 1.2218 1.2218 7.2903 7.2903 10.2762 10.2762 12.5949 12.5949 12.5986 12.5986 k = 0.0135 0.0078-0.0000 ( 1421 PWs) bands (ev): -15.2110 -15.2110 -15.1865 -15.1865 -3.4909 -3.4909 -3.1132 -3.1132 1.1998 1.1998 1.2006 1.2006 1.2122 1.2122 1.2130 1.2130 7.2945 7.2945 10.2802 10.2802 12.5978 12.5978 12.6022 12.6022 k = 0.0203 0.0117-0.0000 ( 1413 PWs) bands (ev): -15.2056 -15.2056 -15.1811 -15.1811 -3.4844 -3.4844 -3.1067 -3.1067 1.1784 1.1784 1.1794 1.1794 1.1994 1.1994 1.2003 1.2003 7.3016 7.3016 10.2869 10.2869 12.6007 12.6007 12.6062 12.6062 k = 0.0270 0.0156-0.0000 ( 1413 PWs) bands (ev): -15.1980 -15.1980 -15.1736 -15.1736 -3.4753 -3.4753 -3.0978 -3.0978 1.1476 1.1476 1.1486 1.1486 1.1825 1.1825 1.1834 1.1834 7.3115 7.3115 10.2962 10.2962 12.6041 12.6041 12.6111 12.6111 k = 0.0338 0.0195-0.0000 ( 1409 PWs) bands (ev): -15.1884 -15.1884 -15.1639 -15.1639 -3.4636 -3.4636 -3.0863 -3.0863 1.1081 1.1081 1.1090 1.1090 1.1612 1.1612 1.1623 1.1623 7.3242 7.3242 10.3081 10.3081 12.6081 12.6081 12.6170 12.6170 k = 0.0405 0.0234-0.0000 ( 1405 PWs) bands (ev): -15.1765 -15.1765 -15.1521 -15.1521 -3.4493 -3.4493 -3.0723 -3.0723 1.0598 1.0598 1.0608 1.0608 1.1357 1.1357 1.1367 1.1367 7.3397 7.3397 10.3228 10.3228 12.6128 12.6128 12.6236 12.6236 k = 0.0473 0.0273-0.0000 ( 1401 PWs) bands (ev): -15.1625 -15.1625 -15.1381 -15.1381 -3.4324 -3.4324 -3.0557 -3.0557 1.0032 1.0032 1.0043 1.0043 1.1059 1.1059 1.1070 1.1070 7.3581 7.3581 10.3400 10.3400 12.6176 12.6176 12.6310 12.6310 k = 0.0541 0.0312-0.0000 ( 1401 PWs) bands (ev): -15.1464 -15.1464 -15.1220 -15.1220 -3.4130 -3.4130 -3.0366 -3.0366 0.9385 0.9385 0.9397 0.9397 1.0720 1.0720 1.0731 1.0731 7.3793 7.3793 10.3599 10.3599 12.6226 12.6226 12.6389 12.6389 k = 0.0608 0.0351-0.0000 ( 1401 PWs) bands (ev): -15.1281 -15.1281 -15.1038 -15.1038 -3.3909 -3.3909 -3.0150 -3.0150 0.8659 0.8659 0.8671 0.8671 1.0342 1.0342 1.0354 1.0354 7.4033 7.4033 10.3824 10.3824 12.6275 12.6275 12.6468 12.6468 k = 0.0676 0.0390-0.0000 ( 1399 PWs) bands (ev): -15.1077 -15.1077 -15.0834 -15.0834 -3.3663 -3.3663 -2.9908 -2.9908 0.7857 0.7857 0.7868 0.7868 0.9927 0.9927 0.9939 0.9939 7.4301 7.4301 10.4076 10.4076 12.6320 12.6320 12.6544 12.6544 k = 0.0743 0.0429-0.0000 ( 1399 PWs) bands (ev): -15.0851 -15.0851 -15.0609 -15.0609 -3.3391 -3.3391 -2.9641 -2.9641 0.6982 0.6982 0.6994 0.6994 0.9476 0.9476 0.9489 0.9489 7.4598 7.4598 10.4354 10.4354 12.6360 12.6360 12.6617 12.6617 k = 0.0811 0.0468-0.0000 ( 1401 PWs) bands (ev): -15.0604 -15.0604 -15.0362 -15.0362 -3.3094 -3.3094 -2.9349 -2.9349 0.6037 0.6037 0.6050 0.6050 0.8992 0.8992 0.9005 0.9005 7.4923 7.4923 10.4658 10.4658 12.6394 12.6394 12.6682 12.6682 k = 0.0878 0.0507-0.0000 ( 1401 PWs) bands (ev): -15.0336 -15.0336 -15.0094 -15.0094 -3.2770 -3.2770 -2.9031 -2.9031 0.5026 0.5026 0.5040 0.5040 0.8477 0.8477 0.8491 0.8491 7.5276 7.5276 10.4988 10.4988 12.6419 12.6419 12.6740 12.6740 k = 0.0946 0.0546-0.0000 ( 1399 PWs) bands (ev): -15.0046 -15.0046 -14.9805 -14.9805 -3.2421 -3.2421 -2.8688 -2.8688 0.3952 0.3952 0.3968 0.3968 0.7933 0.7933 0.7947 0.7947 7.5658 7.5658 10.5344 10.5344 12.6435 12.6435 12.6786 12.6786 k = 0.1014 0.0585-0.0000 ( 1395 PWs) bands (ev): -14.9734 -14.9734 -14.9494 -14.9494 -3.2047 -3.2047 -2.8321 -2.8321 0.2817 0.2817 0.2834 0.2834 0.7365 0.7365 0.7378 0.7378 7.6068 7.6068 10.5726 10.5726 12.6436 12.6436 12.6819 12.6819 k = 0.1081 0.0624-0.0000 ( 1391 PWs) bands (ev): -14.9402 -14.9402 -14.9162 -14.9162 -3.1647 -3.1647 -2.7928 -2.7928 0.1625 0.1625 0.1645 0.1645 0.6771 0.6771 0.6784 0.6784 7.6506 7.6506 10.6134 10.6134 12.6425 12.6425 12.6836 12.6836 k = 0.1149 0.0663-0.0000 ( 1397 PWs) bands (ev): -14.9048 -14.9048 -14.8809 -14.8809 -3.1222 -3.1222 -2.7510 -2.7510 0.0380 0.0380 0.0400 0.0400 0.6154 0.6154 0.6167 0.6167 7.6973 7.6973 10.6567 10.6567 12.6399 12.6399 12.6839 12.6839 k = 0.1216 0.0702-0.0000 ( 1396 PWs) bands (ev): -14.8672 -14.8672 -14.8434 -14.8434 -3.0771 -3.0771 -2.7068 -2.7068 -0.0917 -0.0917 -0.0895 -0.0895 0.5517 0.5517 0.5531 0.5531 7.7468 7.7468 10.7025 10.7025 12.6357 12.6357 12.6822 12.6822 k = 0.1284 0.0741-0.0000 ( 1396 PWs) bands (ev): -14.8276 -14.8276 -14.8038 -14.8038 -3.0295 -3.0295 -2.6601 -2.6601 -0.2260 -0.2260 -0.2237 -0.2237 0.4863 0.4863 0.4878 0.4878 7.7991 7.7991 10.7508 10.7508 12.6299 12.6299 12.6786 12.6786 k = 0.1351 0.0780-0.0000 ( 1400 PWs) bands (ev): -14.7858 -14.7858 -14.7621 -14.7621 -2.9794 -2.9794 -2.6109 -2.6109 -0.3649 -0.3649 -0.3624 -0.3624 0.4193 0.4193 0.4204 0.4204 7.8542 7.8542 10.8016 10.8016 12.6224 12.6224 12.6729 12.6729 k = 0.1419 0.0819-0.0000 ( 1400 PWs) bands (ev): -14.7419 -14.7419 -14.7183 -14.7183 -2.9268 -2.9268 -2.5592 -2.5592 -0.5079 -0.5079 -0.5052 -0.5052 0.3510 0.3510 0.3522 0.3522 7.9122 7.9122 10.8549 10.8549 12.6132 12.6132 12.6656 12.6656 k = 0.1486 0.0858-0.0000 ( 1400 PWs) bands (ev): -14.6959 -14.6959 -14.6724 -14.6724 -2.8716 -2.8716 -2.5051 -2.5051 -0.6550 -0.6550 -0.6519 -0.6519 0.2816 0.2816 0.2827 0.2827 7.9730 7.9730 10.9105 10.9105 12.6025 12.6025 12.6562 12.6562 k = 0.1554 0.0897-0.0000 ( 1400 PWs) bands (ev): -14.6478 -14.6478 -14.6243 -14.6243 -2.8140 -2.8140 -2.4487 -2.4487 -0.8054 -0.8054 -0.8021 -0.8021 0.2112 0.2112 0.2123 0.2123 8.0366 8.0366 10.9684 10.9684 12.5901 12.5901 12.6450 12.6450 k = 0.1622 0.0936-0.0000 ( 1400 PWs) bands (ev): -14.5975 -14.5975 -14.5742 -14.5742 -2.7539 -2.7539 -2.3897 -2.3897 -0.9592 -0.9592 -0.9557 -0.9557 0.1400 0.1400 0.1412 0.1412 8.1030 8.1030 11.0286 11.0286 12.5761 12.5761 12.6320 12.6320 k = 0.1689 0.0975-0.0000 ( 1408 PWs) bands (ev): -14.5452 -14.5452 -14.5219 -14.5219 -2.6914 -2.6914 -2.3285 -2.3285 -1.1160 -1.1160 -1.1125 -1.1125 0.0682 0.0682 0.0694 0.0694 8.1723 8.1723 11.0908 11.0908 12.5606 12.5606 12.6173 12.6173 k = 0.1757 0.1014-0.0000 ( 1404 PWs) bands (ev): -14.4907 -14.4907 -14.4676 -14.4676 -2.6264 -2.6264 -2.2647 -2.2647 -1.2755 -1.2755 -1.2719 -1.2719 -0.0040 -0.0040 -0.0026 -0.0026 8.2443 8.2443 11.1550 11.1550 12.5437 12.5437 12.6010 12.6010 k = 0.1824 0.1053-0.0000 ( 1404 PWs) bands (ev): -14.4342 -14.4342 -14.4111 -14.4111 -2.5590 -2.5590 -2.1986 -2.1986 -1.4377 -1.4377 -1.4339 -1.4339 -0.0764 -0.0764 -0.0751 -0.0751 8.3192 8.3192 11.2209 11.2209 12.5253 12.5253 12.5831 12.5831 k = 0.1892 0.1092-0.0000 ( 1404 PWs) bands (ev): -14.3755 -14.3755 -14.3526 -14.3526 -2.4892 -2.4892 -2.1302 -2.1302 -1.6023 -1.6023 -1.5983 -1.5983 -0.1490 -0.1490 -0.1476 -0.1476 8.3969 8.3969 11.2882 11.2882 12.5057 12.5057 12.5638 12.5638 k = 0.1959 0.1131-0.0000 ( 1400 PWs) bands (ev): -14.3147 -14.3147 -14.2920 -14.2920 -2.4169 -2.4169 -2.0593 -2.0593 -1.7690 -1.7690 -1.7648 -1.7648 -0.2216 -0.2216 -0.2201 -0.2201 8.4774 8.4774 11.3563 11.3563 12.4849 12.4849 12.5434 12.5434 k = 0.2027 0.1170-0.0000 ( 1400 PWs) bands (ev): -14.2519 -14.2519 -14.2293 -14.2293 -2.3423 -2.3423 -1.9863 -1.9863 -1.9376 -1.9376 -1.9332 -1.9332 -0.2939 -0.2939 -0.2925 -0.2925 8.5607 8.5607 11.4243 11.4243 12.4630 12.4630 12.5216 12.5216 k = 0.2095 0.1209-0.0000 ( 1396 PWs) bands (ev): -14.1870 -14.1870 -14.1645 -14.1645 -2.2654 -2.2654 -2.1079 -2.1079 -2.1034 -2.1034 -1.9108 -1.9108 -0.3660 -0.3660 -0.3644 -0.3644 8.6468 8.6468 11.4905 11.4905 12.4402 12.4402 12.4987 12.4987 k = 0.2162 0.1248-0.0000 ( 1392 PWs) bands (ev): -14.1200 -14.1200 -14.0977 -14.0977 -2.2798 -2.2798 -2.2750 -2.2750 -2.1861 -2.1861 -1.8332 -1.8332 -0.4375 -0.4375 -0.4360 -0.4360 8.7356 8.7356 11.5517 11.5517 12.3854 12.3854 12.4164 12.4164 k = 0.2230 0.1287-0.0000 ( 1392 PWs) bands (ev): -14.0510 -14.0510 -14.0288 -14.0288 -2.4531 -2.4531 -2.4481 -2.4481 -2.1045 -2.1045 -1.7533 -1.7533 -0.5087 -0.5087 -0.5071 -0.5071 8.8273 8.8273 11.6013 11.6013 12.2113 12.2113 12.3793 12.3793 k = 0.2297 0.1326-0.0000 ( 1388 PWs) bands (ev): -13.9799 -13.9799 -13.9578 -13.9578 -2.6276 -2.6276 -2.6224 -2.6224 -2.0204 -2.0204 -1.6712 -1.6712 -0.5791 -0.5791 -0.5775 -0.5775 8.9217 8.9217 11.6256 11.6256 12.0358 12.0358 12.2652 12.2652 k = 0.2365 0.1365-0.0000 ( 1388 PWs) bands (ev): -13.9068 -13.9068 -13.8848 -13.8848 -2.8031 -2.8031 -2.7977 -2.7977 -1.9343 -1.9343 -1.5869 -1.5869 -0.6488 -0.6488 -0.6472 -0.6472 9.0190 9.0190 11.6023 11.6023 11.8594 11.8594 12.1979 12.1979 k = 0.2432 0.1404-0.0000 ( 1388 PWs) bands (ev): -13.8316 -13.8316 -13.8098 -13.8098 -2.9795 -2.9795 -2.9739 -2.9739 -1.8459 -1.8459 -1.5004 -1.5004 -0.7177 -0.7177 -0.7161 -0.7161 9.1189 9.1189 11.5186 11.5186 11.6826 11.6826 12.1901 12.1901 k = 0.2500 0.1443-0.0000 ( 1386 PWs) bands (ev): -13.7544 -13.7544 -13.7326 -13.7326 -3.1566 -3.1566 -3.1511 -3.1511 -1.7550 -1.7550 -1.4119 -1.4119 -0.7856 -0.7856 -0.7840 -0.7840 9.2217 9.2217 11.3876 11.3876 11.5058 11.5058 12.2289 12.2289 k = 0.2568 0.1482-0.0000 ( 1382 PWs) bands (ev): -13.6751 -13.6751 -13.6535 -13.6535 -3.3343 -3.3343 -3.3286 -3.3286 -1.6623 -1.6623 -1.3212 -1.3212 -0.8525 -0.8525 -0.8508 -0.8508 9.3272 9.3272 11.2300 11.2300 11.3287 11.3287 12.2615 12.2615 k = 0.2635 0.1521-0.0000 ( 1382 PWs) bands (ev): -13.5939 -13.5939 -13.5724 -13.5724 -3.5125 -3.5125 -3.5066 -3.5066 -1.5674 -1.5674 -1.2286 -1.2286 -0.9183 -0.9183 -0.9166 -0.9166 9.4354 9.4354 11.0584 11.0584 11.1507 11.1507 12.2346 12.2346 k = 0.2703 0.1560-0.0000 ( 1380 PWs) bands (ev): -13.5106 -13.5106 -13.4892 -13.4892 -3.6913 -3.6913 -3.6850 -3.6850 -1.4703 -1.4703 -1.1339 -1.1339 -0.9830 -0.9830 -0.9812 -0.9812 9.5464 9.5464 10.8792 10.8792 10.9713 10.9713 12.2075 12.2075 k = 0.2770 0.1599-0.0000 ( 1384 PWs) bands (ev): -13.4253 -13.4253 -13.4041 -13.4041 -3.8701 -3.8701 -3.8639 -3.8639 -1.3713 -1.3713 -1.0464 -1.0464 -1.0447 -1.0447 -1.0371 -1.0371 9.6601 9.6601 10.6958 10.6958 10.7905 10.7905 12.1805 12.1805 k = 0.2838 0.1638-0.0000 ( 1388 PWs) bands (ev): -13.3381 -13.3381 -13.3170 -13.3170 -4.0490 -4.0490 -4.0426 -4.0426 -1.2703 -1.2703 -1.1084 -1.1084 -1.1066 -1.1066 -0.9388 -0.9388 9.7765 9.7765 10.5096 10.5096 10.6086 10.6086 12.1535 12.1535 k = 0.2905 0.1677-0.0000 ( 1384 PWs) bands (ev): -13.2488 -13.2488 -13.2279 -13.2279 -4.2279 -4.2279 -4.2213 -4.2213 -1.1695 -1.1695 -1.1676 -1.1676 -1.1665 -1.1665 -0.8385 -0.8385 9.8955 9.8955 10.3220 10.3220 10.4256 10.4256 12.1268 12.1268 k = 0.2973 0.1716-0.0000 ( 1388 PWs) bands (ev): -13.1576 -13.1576 -13.1369 -13.1369 -4.4070 -4.4070 -4.3999 -4.3999 -1.2283 -1.2283 -1.2265 -1.2265 -1.0625 -1.0625 -0.7364 -0.7364 10.0172 10.0172 10.1334 10.1334 10.2419 10.2419 12.1002 12.1002 k = 0.3041 0.1755-0.0000 ( 1388 PWs) bands (ev): -13.0644 -13.0644 -13.0439 -13.0439 -4.5856 -4.5856 -4.5783 -4.5783 -1.2860 -1.2860 -1.2842 -1.2842 -0.9559 -0.9559 -0.6327 -0.6327 9.9441 9.9441 10.0578 10.0578 10.1415 10.1415 12.0740 12.0740 k = 0.3108 0.1794-0.0000 ( 1390 PWs) bands (ev): -12.9694 -12.9694 -12.9490 -12.9490 -4.7639 -4.7639 -4.7564 -4.7564 -1.3423 -1.3423 -1.3404 -1.3404 -0.8475 -0.8475 -0.5273 -0.5273 9.7547 9.7547 9.8735 9.8735 10.2685 10.2685 12.0481 12.0481 k = 0.3176 0.1833-0.0000 ( 1398 PWs) bands (ev): -12.8723 -12.8723 -12.8522 -12.8522 -4.9418 -4.9418 -4.9341 -4.9341 -1.3972 -1.3972 -1.3951 -1.3951 -0.7375 -0.7375 -0.4205 -0.4205 9.5652 9.5652 9.6892 9.6892 10.3979 10.3979 12.0225 12.0225 k = 0.3243 0.1872-0.0000 ( 1402 PWs) bands (ev): -12.7734 -12.7734 -12.7535 -12.7535 -5.1194 -5.1194 -5.1113 -5.1113 -1.4502 -1.4502 -1.4480 -1.4480 -0.6259 -0.6259 -0.3122 -0.3122 9.3761 9.3761 9.5047 9.5047 10.5298 10.5298 11.9975 11.9975 k = 0.3311 0.1911-0.0000 ( 1398 PWs) bands (ev): -12.6726 -12.6726 -12.6528 -12.6528 -5.2963 -5.2963 -5.2879 -5.2879 -1.5014 -1.5014 -1.4993 -1.4993 -0.5128 -0.5128 -0.2026 -0.2026 9.1876 9.1876 9.3212 9.3212 10.6640 10.6640 11.9733 11.9733 k = 0.3378 0.1951-0.0000 ( 1400 PWs) bands (ev): -12.5699 -12.5699 -12.5503 -12.5503 -5.4725 -5.4725 -5.4641 -5.4641 -1.5509 -1.5509 -1.5488 -1.5488 -0.3984 -0.3984 -0.0918 -0.0918 9.0000 9.0000 9.1384 9.1384 10.8004 10.8004 11.9496 11.9496 k = 0.3446 0.1990-0.0000 ( 1400 PWs) bands (ev): -12.4654 -12.4654 -12.4460 -12.4460 -5.6479 -5.6479 -5.6393 -5.6393 -1.5988 -1.5988 -1.5965 -1.5965 -0.2827 -0.2827 0.0199 0.0199 8.8135 8.8135 8.9566 8.9566 10.9388 10.9388 11.9265 11.9265 k = 0.3514 0.2029-0.0000 ( 1396 PWs) bands (ev): -12.3591 -12.3591 -12.3399 -12.3399 -5.8225 -5.8225 -5.8137 -5.8137 -1.6447 -1.6447 -1.6425 -1.6425 -0.1660 -0.1660 0.1325 0.1325 8.6284 8.6284 8.7761 8.7761 11.0786 11.0786 11.9042 11.9042 k = 0.3581 0.2068-0.0000 ( 1392 PWs) bands (ev): -12.2510 -12.2510 -12.2320 -12.2320 -5.9962 -5.9962 -5.9872 -5.9872 -1.6888 -1.6888 -1.6866 -1.6866 -0.0483 -0.0483 0.2459 0.2459 8.4449 8.4449 8.5971 8.5971 11.2191 11.2191 11.8827 11.8827 k = 0.3649 0.2107-0.0000 ( 1392 PWs) bands (ev): -12.1411 -12.1411 -12.1223 -12.1223 -6.1689 -6.1689 -6.1597 -6.1597 -1.7311 -1.7311 -1.7288 -1.7288 0.0701 0.0701 0.3596 0.3596 8.2634 8.2634 8.4198 8.4198 11.3586 11.3586 11.8622 11.8622 k = 0.3716 0.2146-0.0000 ( 1394 PWs) bands (ev): -12.0295 -12.0295 -12.0110 -12.0110 -6.3407 -6.3407 -6.3311 -6.3311 -1.7715 -1.7715 -1.7691 -1.7691 0.1891 0.1891 0.4737 0.4737 8.0842 8.0842 8.2444 8.2444 11.4931 11.4931 11.8426 11.8426 k = 0.3784 0.2185-0.0000 ( 1398 PWs) bands (ev): -11.9163 -11.9163 -11.8980 -11.8980 -6.5112 -6.5112 -6.5013 -6.5013 -1.8099 -1.8099 -1.8076 -1.8076 0.3083 0.3083 0.5876 0.5876 7.9076 7.9076 8.0715 8.0715 11.6130 11.6130 11.8242 11.8242 k = 0.3851 0.2224-0.0000 ( 1398 PWs) bands (ev): -11.8015 -11.8015 -11.7834 -11.7834 -6.6804 -6.6804 -6.6703 -6.6703 -1.8464 -1.8464 -1.8441 -1.8441 0.4277 0.4277 0.7013 0.7013 7.7341 7.7341 7.9014 7.9014 11.6982 11.6982 11.8074 11.8074 k = 0.3919 0.2263-0.0000 ( 1406 PWs) bands (ev): -11.6851 -11.6851 -11.6672 -11.6672 -6.8482 -6.8482 -6.8379 -6.8379 -1.8810 -1.8810 -1.8787 -1.8787 0.5468 0.5468 0.8141 0.8141 7.5639 7.5639 7.7344 7.7344 11.7367 11.7367 11.7924 11.7924 k = 0.3986 0.2302-0.0000 ( 1410 PWs) bands (ev): -11.5673 -11.5673 -11.5496 -11.5496 -7.0147 -7.0147 -7.0041 -7.0041 -1.9135 -1.9135 -1.9112 -1.9112 0.6652 0.6652 0.9259 0.9259 7.3977 7.3977 7.5709 7.5709 11.7443 11.7443 11.7797 11.7797 k = 0.4054 0.2341-0.0000 ( 1410 PWs) bands (ev): -11.4481 -11.4481 -11.4307 -11.4307 -7.1794 -7.1794 -7.1686 -7.1686 -1.9440 -1.9440 -1.9418 -1.9418 0.7826 0.7826 1.0362 1.0362 7.2358 7.2358 7.4115 7.4115 11.7386 11.7386 11.7687 11.7687 k = 0.4122 0.2380-0.0000 ( 1404 PWs) bands (ev): -11.3276 -11.3276 -11.3104 -11.3104 -7.3423 -7.3423 -7.3313 -7.3313 -1.9725 -1.9725 -1.9702 -1.9702 0.8986 0.8986 1.1444 1.1444 7.0790 7.0790 7.2566 7.2566 11.7282 11.7282 11.7582 11.7582 k = 0.4189 0.2419-0.0000 ( 1408 PWs) bands (ev): -11.2060 -11.2060 -11.1891 -11.1891 -7.5034 -7.5034 -7.4921 -7.4921 -1.9990 -1.9990 -1.9967 -1.9967 1.0125 1.0125 1.2499 1.2499 6.9278 6.9278 7.1068 7.1068 11.7167 11.7167 11.7477 11.7477 k = 0.4257 0.2458-0.0000 ( 1412 PWs) bands (ev): -11.0836 -11.0836 -11.0670 -11.0670 -7.6622 -7.6622 -7.6508 -7.6508 -2.0234 -2.0234 -2.0211 -2.0211 1.1237 1.1237 1.3520 1.3520 6.7828 6.7828 6.9629 6.9629 11.7053 11.7053 11.7375 11.7375 k = 0.4324 0.2497-0.0000 ( 1412 PWs) bands (ev): -10.9605 -10.9605 -10.9442 -10.9442 -7.8185 -7.8185 -7.8069 -7.8069 -2.0457 -2.0457 -2.0434 -2.0434 1.2316 1.2316 1.4499 1.4499 6.6452 6.6452 6.8258 6.8258 11.6944 11.6944 11.7277 11.7277 k = 0.4392 0.2536-0.0000 ( 1412 PWs) bands (ev): -10.8371 -10.8371 -10.8211 -10.8211 -7.9719 -7.9719 -7.9603 -7.9603 -2.0660 -2.0660 -2.0636 -2.0636 1.3352 1.3352 1.5427 1.5427 6.5157 6.5157 6.6961 6.6961 11.6844 11.6844 11.7186 11.7186 k = 0.4459 0.2575-0.0000 ( 1404 PWs) bands (ev): -10.7138 -10.7138 -10.6984 -10.6984 -8.1220 -8.1220 -8.1102 -8.1102 -2.0841 -2.0841 -2.0814 -2.0814 1.4336 1.4336 1.6295 1.6295 6.3954 6.3954 6.5751 6.5751 11.6753 11.6753 11.7104 11.7104 k = 0.4527 0.2614-0.0000 ( 1404 PWs) bands (ev): -10.5917 -10.5917 -10.5767 -10.5767 -8.2678 -8.2678 -8.2561 -8.2561 -2.1001 -2.1001 -2.0974 -2.0974 1.5257 1.5257 1.7090 1.7090 6.2852 6.2852 6.4636 6.4636 11.6672 11.6672 11.7028 11.7028 k = 0.4595 0.2653-0.0000 ( 1400 PWs) bands (ev): -10.4715 -10.4715 -10.4571 -10.4571 -8.4084 -8.4084 -8.3967 -8.3967 -2.1141 -2.1141 -2.1112 -2.1112 1.6103 1.6103 1.7804 1.7804 6.1865 6.1865 6.3631 6.3631 11.6601 11.6601 11.6962 11.6962 k = 0.4662 0.2692-0.0000 ( 1400 PWs) bands (ev): -10.3552 -10.3552 -10.3413 -10.3413 -8.5419 -8.5419 -8.5307 -8.5307 -2.1258 -2.1258 -2.1230 -2.1230 1.6861 1.6861 1.8424 1.8424 6.1003 6.1003 6.2747 6.2747 11.6540 11.6540 11.6906 11.6906 k = 0.4730 0.2731-0.0000 ( 1400 PWs) bands (ev): -10.2451 -10.2451 -10.2321 -10.2321 -8.6657 -8.6657 -8.6550 -8.6550 -2.1355 -2.1355 -2.1326 -2.1326 1.7515 1.7515 1.8942 1.8942 6.0279 6.0279 6.1999 6.1999 11.6490 11.6490 11.6859 11.6859 k = 0.4797 0.2770-0.0000 ( 1406 PWs) bands (ev): -10.1455 -10.1455 -10.1337 -10.1337 -8.7756 -8.7756 -8.7656 -8.7656 -2.1430 -2.1430 -2.1401 -2.1401 1.8049 1.8049 1.9348 1.9348 5.9703 5.9703 6.1398 6.1398 11.6452 11.6452 11.6822 11.6822 k = 0.4865 0.2809-0.0000 ( 1410 PWs) bands (ev): -10.0628 -10.0628 -10.0525 -10.0525 -8.8649 -8.8649 -8.8562 -8.8562 -2.1483 -2.1483 -2.1455 -2.1455 1.8447 1.8447 1.9639 1.9639 5.9285 5.9285 6.0960 6.0960 11.6424 11.6424 11.6796 11.6796 k = 0.4932 0.2848-0.0000 ( 1410 PWs) bands (ev): -10.0064 -10.0064 -9.9977 -9.9977 -8.9246 -8.9246 -8.9174 -8.9174 -2.1516 -2.1516 -2.1487 -2.1487 1.8694 1.8694 1.9813 1.9813 5.9031 5.9031 6.0693 6.0693 11.6407 11.6407 11.6780 11.6780 k = 0.5000 0.2887-0.0000 ( 1404 PWs) bands (ev): -9.9860 -9.9860 -9.9780 -9.9780 -8.9457 -8.9457 -8.9393 -8.9393 -2.1526 -2.1526 -2.1498 -2.1498 1.8779 1.8779 1.9871 1.9871 5.8946 5.8946 6.0603 6.0603 11.6402 11.6402 11.6775 11.6775 k = 0.5000 0.2887-0.0000 ( 1404 PWs) bands (ev): -9.9860 -9.9860 -9.9780 -9.9780 -8.9457 -8.9457 -8.9393 -8.9393 -2.1526 -2.1526 -2.1498 -2.1498 1.8779 1.8779 1.9871 1.9871 5.8946 5.8946 6.0603 6.0603 11.6402 11.6402 11.6775 11.6775 k = 0.4961 0.2954-0.0000 ( 1408 PWs) bands (ev): -9.9851 -9.9851 -9.9771 -9.9771 -8.9448 -8.9448 -8.9385 -8.9385 -2.1575 -2.1575 -2.1546 -2.1546 1.8791 1.8791 1.9883 1.9883 5.8943 5.8943 6.0599 6.0599 11.6466 11.6466 11.6840 11.6840 k = 0.4922 0.3021-0.0000 ( 1408 PWs) bands (ev): -9.9823 -9.9823 -9.9744 -9.9744 -8.9421 -8.9421 -8.9358 -8.9358 -2.1719 -2.1719 -2.1689 -2.1689 1.8830 1.8830 1.9922 1.9922 5.8936 5.8936 6.0587 6.0587 11.6659 11.6659 11.7035 11.7035 k = 0.4884 0.3088-0.0000 ( 1412 PWs) bands (ev): -9.9778 -9.9778 -9.9699 -9.9699 -8.9376 -8.9376 -8.9313 -8.9313 -2.1957 -2.1957 -2.1928 -2.1928 1.8895 1.8895 1.9987 1.9987 5.8924 5.8924 6.0568 6.0568 11.6980 11.6980 11.7359 11.7359 k = 0.4845 0.3155-0.0000 ( 1416 PWs) bands (ev): -9.9714 -9.9714 -9.9635 -9.9635 -8.9314 -8.9314 -8.9250 -8.9250 -2.2289 -2.2289 -2.2262 -2.2262 1.8986 1.8986 2.0077 2.0077 5.8907 5.8907 6.0539 6.0539 11.7427 11.7427 11.7809 11.7809 k = 0.4806 0.3222-0.0000 ( 1416 PWs) bands (ev): -9.9632 -9.9632 -9.9553 -9.9553 -8.9233 -8.9233 -8.9169 -8.9169 -2.2713 -2.2713 -2.2684 -2.2684 1.9103 1.9103 2.0194 2.0194 5.8885 5.8885 6.0503 6.0503 11.7998 11.7998 11.8386 11.8386 k = 0.4767 0.3290-0.0000 ( 1416 PWs) bands (ev): -9.9532 -9.9532 -9.9453 -9.9453 -8.9134 -8.9134 -8.9070 -8.9070 -2.3224 -2.3224 -2.3195 -2.3195 1.9245 1.9245 2.0336 2.0336 5.8856 5.8856 6.0458 6.0458 11.8689 11.8689 11.9085 11.9085 k = 0.4729 0.3357-0.0000 ( 1416 PWs) bands (ev): -9.9414 -9.9414 -9.9335 -9.9335 -8.9017 -8.9017 -8.8954 -8.8954 -2.3822 -2.3822 -2.3792 -2.3792 1.9414 1.9414 2.0504 2.0504 5.8822 5.8822 6.0403 6.0403 11.9498 11.9498 11.9903 11.9903 k = 0.4690 0.3424-0.0000 ( 1416 PWs) bands (ev): -9.9278 -9.9278 -9.9199 -9.9199 -8.8883 -8.8883 -8.8820 -8.8820 -2.4501 -2.4501 -2.4472 -2.4472 1.9608 1.9608 2.0697 2.0697 5.8780 5.8780 6.0338 6.0338 12.0422 12.0422 12.0836 12.0836 k = 0.4651 0.3491-0.0000 ( 1416 PWs) bands (ev): -9.9123 -9.9123 -9.9044 -9.9044 -8.8732 -8.8732 -8.8669 -8.8669 -2.5259 -2.5259 -2.5229 -2.5229 1.9829 1.9829 2.0917 2.0917 5.8730 5.8730 6.0262 6.0262 12.1454 12.1454 12.1881 12.1881 k = 0.4612 0.3558-0.0000 ( 1410 PWs) bands (ev): -9.8950 -9.8950 -9.8872 -9.8872 -8.8563 -8.8563 -8.8500 -8.8500 -2.6092 -2.6092 -2.6059 -2.6059 2.0075 2.0075 2.1163 2.1163 5.8672 5.8672 6.0175 6.0175 12.2591 12.2591 12.3034 12.3034 k = 0.4574 0.3625-0.0000 ( 1398 PWs) bands (ev): -9.8759 -9.8759 -9.8680 -9.8680 -8.8376 -8.8376 -8.8314 -8.8314 -2.6994 -2.6994 -2.6960 -2.6960 2.0348 2.0348 2.1434 2.1434 5.8605 5.8605 6.0075 6.0075 12.3829 12.3829 12.4289 12.4289 k = 0.4535 0.3692-0.0000 ( 1394 PWs) bands (ev): -9.8549 -9.8549 -9.8471 -9.8471 -8.8174 -8.8174 -8.8111 -8.8111 -2.7963 -2.7963 -2.7928 -2.7928 2.0645 2.0645 2.1730 2.1730 5.8527 5.8527 5.9961 5.9961 12.5162 12.5162 12.5641 12.5641 k = 0.4496 0.3759-0.0000 ( 1390 PWs) bands (ev): -9.8322 -9.8322 -9.8244 -9.8244 -8.7955 -8.7955 -8.7892 -8.7892 -2.8991 -2.8991 -2.8956 -2.8956 2.0969 2.0969 2.2053 2.2053 5.8437 5.8437 5.9831 5.9831 12.6588 12.6588 12.7087 12.7087 k = 0.4457 0.3827-0.0000 ( 1390 PWs) bands (ev): -9.8077 -9.8077 -9.7999 -9.7999 -8.7719 -8.7719 -8.7657 -8.7657 -3.0078 -3.0078 -3.0042 -3.0042 2.1318 2.1318 2.2401 2.2401 5.8333 5.8333 5.9685 5.9685 12.8094 12.8094 12.8620 12.8620 k = 0.4419 0.3894-0.0000 ( 1390 PWs) bands (ev): -9.7813 -9.7813 -9.7736 -9.7736 -8.7468 -8.7468 -8.7407 -8.7407 -3.1218 -3.1218 -3.1179 -3.1179 2.1693 2.1693 2.2774 2.2774 5.8215 5.8215 5.9521 5.9521 12.9679 12.9679 13.0235 13.0235 k = 0.4380 0.3961-0.0000 ( 1390 PWs) bands (ev): -9.7531 -9.7531 -9.7454 -9.7454 -8.7201 -8.7201 -8.7141 -8.7141 -3.2405 -3.2405 -3.2365 -3.2365 2.2094 2.2094 2.3173 2.3173 5.8082 5.8082 5.9339 5.9339 13.1337 13.1337 13.1929 13.1929 k = 0.4341 0.4028-0.0000 ( 1388 PWs) bands (ev): -9.7231 -9.7231 -9.7155 -9.7155 -8.6920 -8.6920 -8.6860 -8.6860 -3.3636 -3.3636 -3.3593 -3.3593 2.2521 2.2521 2.3598 2.3598 5.7932 5.7932 5.9136 5.9136 13.3062 13.3062 13.3694 13.3694 k = 0.4302 0.4095-0.0000 ( 1388 PWs) bands (ev): -9.6914 -9.6914 -9.6837 -9.6837 -8.6624 -8.6624 -8.6564 -8.6564 -3.4906 -3.4906 -3.4861 -3.4861 2.2972 2.2972 2.4048 2.4048 5.7763 5.7763 5.8911 5.8911 13.4847 13.4847 13.5527 13.5527 k = 0.4264 0.4162-0.0000 ( 1384 PWs) bands (ev): -9.6577 -9.6577 -9.6501 -9.6501 -8.6315 -8.6315 -8.6256 -8.6256 -3.6210 -3.6210 -3.6162 -3.6162 2.3450 2.3450 2.4525 2.4525 5.7573 5.7573 5.8663 5.8663 13.6686 13.6686 13.7422 13.7422 k = 0.4225 0.4229-0.0000 ( 1384 PWs) bands (ev): -9.6223 -9.6223 -9.6148 -9.6148 -8.5993 -8.5993 -8.5934 -8.5934 -3.7544 -3.7544 -3.7495 -3.7495 2.3953 2.3953 2.5026 2.5026 5.7362 5.7362 5.8390 5.8390 13.8574 13.8574 13.9372 13.9372 k = 0.4186 0.4297-0.0000 ( 1384 PWs) bands (ev): -9.5851 -9.5851 -9.5776 -9.5776 -8.5658 -8.5658 -8.5600 -8.5600 -3.8905 -3.8905 -3.8853 -3.8853 2.4481 2.4481 2.5552 2.5552 5.7128 5.7128 5.8090 5.8090 14.0502 14.0502 14.1374 14.1374 k = 0.4147 0.4364-0.0000 ( 1380 PWs) bands (ev): -9.5460 -9.5460 -9.5386 -9.5386 -8.5313 -8.5313 -8.5256 -8.5256 -4.0287 -4.0287 -4.0233 -4.0233 2.5035 2.5035 2.6104 2.6104 5.6868 5.6868 5.7762 5.7762 14.2464 14.2464 14.3421 14.3421 k = 0.4109 0.4431-0.0000 ( 1380 PWs) bands (ev): -9.5051 -9.5051 -9.4977 -9.4977 -8.4958 -8.4958 -8.4902 -8.4902 -4.1688 -4.1688 -4.1630 -4.1630 2.5616 2.5616 2.6681 2.6681 5.6582 5.6582 5.7404 5.7404 14.4451 14.4451 14.5505 14.5505 k = 0.4070 0.4498-0.0000 ( 1380 PWs) bands (ev): -9.4625 -9.4625 -9.4551 -9.4551 -8.4594 -8.4594 -8.4540 -8.4540 -4.3101 -4.3101 -4.3041 -4.3041 2.6220 2.6220 2.7283 2.7283 5.6267 5.6267 5.7014 5.7014 14.6453 14.6453 14.7620 14.7620 k = 0.4031 0.4565-0.0000 ( 1380 PWs) bands (ev): -9.4180 -9.4180 -9.4107 -9.4107 -8.4225 -8.4225 -8.4172 -8.4172 -4.4521 -4.4521 -4.4460 -4.4460 2.6850 2.6850 2.7910 2.7910 5.5922 5.5922 5.6591 5.6591 14.8461 14.8461 14.9757 14.9757 k = 0.3992 0.4632-0.0000 ( 1380 PWs) bands (ev): -9.3718 -9.3718 -9.3645 -9.3645 -8.3851 -8.3851 -8.3799 -8.3799 -4.5946 -4.5946 -4.5882 -4.5882 2.7504 2.7504 2.8561 2.8561 5.5545 5.5545 5.6134 5.6134 15.0462 15.0462 15.1906 15.1906 k = 0.3953 0.4699-0.0000 ( 1380 PWs) bands (ev): -9.3237 -9.3237 -9.3164 -9.3164 -8.3475 -8.3475 -8.3425 -8.3425 -4.7369 -4.7369 -4.7304 -4.7304 2.8184 2.8184 2.9238 2.9238 5.5135 5.5135 5.5641 5.5641 15.2436 15.2436 15.4030 15.4030 k = 0.3915 0.4766-0.0000 ( 1380 PWs) bands (ev): -9.2738 -9.2738 -9.2666 -9.2666 -8.3100 -8.3100 -8.3053 -8.3053 -4.8786 -4.8786 -4.8720 -4.8720 2.8888 2.8888 2.9939 2.9939 5.4691 5.4691 5.5111 5.5111 15.3679 15.3679 15.4351 15.4351 k = 0.3876 0.4834-0.0000 ( 1382 PWs) bands (ev): -9.2222 -9.2222 -9.2150 -9.2150 -8.2731 -8.2731 -8.2686 -8.2686 -5.0190 -5.0190 -5.0124 -5.0124 2.9617 2.9617 3.0665 3.0665 5.4211 5.4211 5.4543 5.4543 15.3034 15.3034 15.6125 15.6125 k = 0.3837 0.4901-0.0000 ( 1382 PWs) bands (ev): -9.1687 -9.1687 -9.1616 -9.1616 -8.2372 -8.2372 -8.2329 -8.2329 -5.1575 -5.1575 -5.1508 -5.1508 3.0371 3.0371 3.1416 3.1416 5.3694 5.3694 5.3936 5.3936 15.2426 15.2426 15.6288 15.6288 k = 0.3798 0.4968-0.0000 ( 1386 PWs) bands (ev): -9.1134 -9.1134 -9.1064 -9.1064 -8.2028 -8.2028 -8.1988 -8.1988 -5.2934 -5.2934 -5.2867 -5.2867 3.1150 3.1150 3.2191 3.2191 5.3139 5.3139 5.3290 5.3290 15.1861 15.1861 15.5449 15.5449 k = 0.3760 0.5035-0.0000 ( 1379 PWs) bands (ev): -9.0563 -9.0563 -9.0494 -9.0494 -8.1705 -8.1705 -8.1670 -8.1670 -5.4258 -5.4258 -5.4190 -5.4190 3.1953 3.1953 3.2991 3.2991 5.2545 5.2545 5.2603 5.2603 15.1342 15.1342 15.4656 15.4656 k = 0.3721 0.5102-0.0000 ( 1383 PWs) bands (ev): -8.9975 -8.9975 -8.9906 -8.9906 -8.1415 -8.1415 -8.1384 -8.1384 -5.5535 -5.5535 -5.5471 -5.5471 3.2781 3.2781 3.3814 3.3814 5.1875 5.1875 5.1913 5.1913 15.0873 15.0873 15.3912 15.3912 k = 0.3682 0.5169-0.0000 ( 1387 PWs) bands (ev): -8.9368 -8.9368 -8.9300 -8.9300 -8.1165 -8.1165 -8.1139 -8.1139 -5.6756 -5.6756 -5.6693 -5.6693 3.3632 3.3632 3.4662 3.4662 5.1107 5.1107 5.1240 5.1240 15.0458 15.0458 15.3221 15.3221 k = 0.3643 0.5236-0.0000 ( 1391 PWs) bands (ev): -8.8744 -8.8744 -8.8677 -8.8677 -8.0970 -8.0970 -8.0950 -8.0950 -5.7905 -5.7905 -5.7846 -5.7846 3.4508 3.4508 3.5533 3.5533 5.0299 5.0299 5.0529 5.0529 15.0100 15.0100 15.2584 15.2584 k = 0.3605 0.5304-0.0000 ( 1393 PWs) bands (ev): -8.8102 -8.8102 -8.8035 -8.8035 -8.0841 -8.0841 -8.0829 -8.0829 -5.8968 -5.8968 -5.8912 -5.8912 3.5408 3.5408 3.6429 3.6429 4.9451 4.9451 4.9777 4.9777 14.9800 14.9800 15.2003 15.2003 k = 0.3566 0.5371-0.0000 ( 1389 PWs) bands (ev): -8.7443 -8.7443 -8.7376 -8.7376 -8.0797 -8.0797 -8.0793 -8.0793 -5.9924 -5.9924 -5.9875 -5.9875 3.6331 3.6331 3.7347 3.7347 4.8563 4.8563 4.8987 4.8987 14.9561 14.9561 15.1478 15.1478 k = 0.3527 0.5438-0.0000 ( 1389 PWs) bands (ev): -8.6765 -8.6765 -8.6699 -8.6699 -8.0859 -8.0859 -8.0854 -8.0854 -6.0760 -6.0760 -6.0718 -6.0718 3.7277 3.7277 3.8288 3.8288 4.7637 4.7637 4.8159 4.8159 14.9385 14.9385 15.1010 15.1010 k = 0.3488 0.5505-0.0000 ( 1387 PWs) bands (ev): -8.6070 -8.6070 -8.6004 -8.6004 -8.1043 -8.1043 -8.1026 -8.1026 -6.1458 -6.1458 -6.1422 -6.1422 3.8245 3.8245 3.9251 3.9251 4.6675 4.6675 4.7292 4.7292 14.9273 14.9273 15.0598 15.0598 k = 0.3450 0.5572-0.0000 ( 1383 PWs) bands (ev): -8.5357 -8.5357 -8.5292 -8.5292 -8.1356 -8.1356 -8.1327 -8.1327 -6.2003 -6.2003 -6.1976 -6.1976 3.9234 3.9234 4.0234 4.0234 4.5680 4.5680 4.6394 4.6394 14.9226 14.9226 15.0241 15.0241 k = 0.3411 0.5639-0.0000 ( 1387 PWs) bands (ev): -8.4626 -8.4626 -8.4562 -8.4562 -8.1806 -8.1806 -8.1765 -8.1765 -6.2389 -6.2389 -6.2371 -6.2371 4.0237 4.0237 4.1231 4.1231 4.4657 4.4657 4.5468 4.5468 14.9244 14.9244 14.9937 14.9937 k = 0.3372 0.5706-0.0000 ( 1389 PWs) bands (ev): -8.3879 -8.3879 -8.3815 -8.3815 -8.2393 -8.2393 -8.2341 -8.2341 -6.2614 -6.2614 -6.2606 -6.2606 4.1232 4.1232 4.2216 4.2216 4.3632 4.3632 4.4542 4.4542 14.9328 14.9328 14.9684 14.9684 k = 0.3333 0.5774-0.0000 ( 1389 PWs) bands (ev): -8.3145 -8.3145 -8.3090 -8.3090 -8.3069 -8.3069 -8.3017 -8.3017 -6.2684 -6.2684 -6.2684 -6.2684 4.1925 4.1925 4.2900 4.2900 4.2900 4.2900 4.3906 4.3906 14.9478 14.9478 14.9478 14.9478 k = 0.3333 0.5774-0.0000 ( 1389 PWs) bands (ev): -8.3145 -8.3145 -8.3090 -8.3090 -8.3069 -8.3069 -8.3017 -8.3017 -6.2684 -6.2684 -6.2684 -6.2684 4.1925 4.1925 4.2900 4.2900 4.2900 4.2900 4.3906 4.3906 14.9478 14.9478 14.9478 14.9478 k = 0.3294 0.5706-0.0000 ( 1389 PWs) bands (ev): -8.3960 -8.3960 -8.3886 -8.3886 -8.2319 -8.2319 -8.2256 -8.2256 -6.2616 -6.2616 -6.2609 -6.2609 4.1169 4.1169 4.2243 4.2243 4.3608 4.3608 4.4603 4.4603 14.9316 14.9316 14.9696 14.9696 k = 0.3255 0.5638-0.0000 ( 1385 PWs) bands (ev): -8.4913 -8.4913 -8.4829 -8.4829 -8.1508 -8.1508 -8.1447 -8.1447 -6.2415 -6.2415 -6.2401 -6.2401 4.0039 4.0039 4.1208 4.1208 4.4684 4.4684 4.5669 4.5669 14.9195 14.9195 14.9981 14.9981 k = 0.3216 0.5570-0.0000 ( 1389 PWs) bands (ev): -8.5956 -8.5956 -8.5865 -8.5865 -8.0680 -8.0680 -8.0619 -8.0619 -6.2097 -6.2097 -6.2078 -6.2078 3.8847 3.8847 4.0109 4.0109 4.5817 4.5817 4.6794 4.6794 14.9111 14.9111 15.0331 15.0331 k = 0.3176 0.5502-0.0000 ( 1385 PWs) bands (ev): -8.7072 -8.7072 -8.6974 -8.6974 -7.9834 -7.9834 -7.9773 -7.9773 -6.1677 -6.1677 -6.1653 -6.1653 3.7622 3.7622 3.8972 3.8972 4.6981 4.6981 4.7952 4.7952 14.9059 14.9059 15.0746 15.0746 k = 0.3137 0.5434-0.0000 ( 1383 PWs) bands (ev): -8.8247 -8.8247 -8.8142 -8.8142 -7.8970 -7.8970 -7.8910 -7.8910 -6.1171 -6.1171 -6.1142 -6.1142 3.6370 3.6370 3.7806 3.7806 4.8172 4.8172 4.9136 4.9136 14.9034 14.9034 15.1224 15.1224 k = 0.3098 0.5366-0.0000 ( 1385 PWs) bands (ev): -8.9470 -8.9470 -8.9358 -8.9358 -7.8088 -7.8088 -7.8029 -7.8029 -6.0589 -6.0589 -6.0558 -6.0558 3.5095 3.5095 3.6615 3.6615 4.9387 4.9387 5.0345 5.0345 14.9028 14.9028 15.1765 15.1765 k = 0.3059 0.5298-0.0000 ( 1385 PWs) bands (ev): -9.0728 -9.0728 -9.0611 -9.0611 -7.7189 -7.7189 -7.7130 -7.7130 -5.9942 -5.9942 -5.9909 -5.9909 3.3799 3.3799 3.5401 3.5401 5.0625 5.0625 5.1577 5.1577 14.9036 14.9036 15.2366 15.2366 k = 0.3020 0.5230-0.0000 ( 1387 PWs) bands (ev): -9.2013 -9.2013 -9.1891 -9.1891 -7.6273 -7.6273 -7.6214 -7.6214 -5.9240 -5.9240 -5.9204 -5.9204 3.2486 3.2486 3.4167 3.4167 5.1886 5.1886 5.2831 5.2831 14.9050 14.9050 15.3027 15.3027 k = 0.2980 0.5162-0.0000 ( 1395 PWs) bands (ev): -9.3318 -9.3318 -9.3193 -9.3193 -7.5339 -7.5339 -7.5281 -7.5281 -5.8488 -5.8488 -5.8450 -5.8450 3.1156 3.1156 3.2915 3.2915 5.3170 5.3170 5.4108 5.4108 14.9062 14.9062 15.2577 15.2577 k = 0.2941 0.5094-0.0000 ( 1387 PWs) bands (ev): -9.4637 -9.4637 -9.4508 -9.4508 -7.4386 -7.4386 -7.4330 -7.4330 -5.7692 -5.7692 -5.7654 -5.7654 2.9814 2.9814 3.1647 3.1647 5.4476 5.4476 5.5410 5.5410 14.9066 14.9066 15.0753 15.0753 k = 0.2902 0.5026-0.0000 ( 1387 PWs) bands (ev): -9.5966 -9.5966 -9.5832 -9.5832 -7.3417 -7.3417 -7.3362 -7.3362 -5.6857 -5.6857 -5.6819 -5.6819 2.8460 2.8460 3.0366 3.0366 5.5803 5.5803 5.6730 5.6730 14.8913 14.8913 14.9050 14.9050 k = 0.2863 0.4958-0.0000 ( 1389 PWs) bands (ev): -9.7300 -9.7300 -9.7163 -9.7163 -7.2431 -7.2431 -7.2377 -7.2377 -5.5989 -5.5989 -5.5950 -5.5950 2.7097 2.7097 2.9073 2.9073 5.7152 5.7152 5.8071 5.8071 14.7067 14.7067 14.9008 14.9008 k = 0.2824 0.4890-0.0000 ( 1389 PWs) bands (ev): -9.8636 -9.8636 -9.8495 -9.8495 -7.1428 -7.1428 -7.1375 -7.1375 -5.5089 -5.5089 -5.5050 -5.5050 2.5726 2.5726 2.7770 2.7770 5.8521 5.8521 5.9433 5.9433 14.5218 14.5218 14.8930 14.8930 k = 0.2784 0.4823-0.0000 ( 1385 PWs) bands (ev): -9.9970 -9.9970 -9.9826 -9.9826 -7.0407 -7.0407 -7.0355 -7.0355 -5.4160 -5.4160 -5.4121 -5.4121 2.4349 2.4349 2.6459 2.6459 5.9912 5.9912 6.0816 6.0816 14.3371 14.3371 14.8809 14.8809 k = 0.2745 0.4755-0.0000 ( 1385 PWs) bands (ev): -10.1302 -10.1302 -10.1155 -10.1155 -6.9370 -6.9370 -6.9318 -6.9318 -5.3205 -5.3205 -5.3167 -5.3167 2.2968 2.2968 2.5142 2.5142 6.1322 6.1322 6.2219 6.2219 14.1529 14.1529 14.8638 14.8638 k = 0.2706 0.4687-0.0000 ( 1387 PWs) bands (ev): -10.2628 -10.2628 -10.2479 -10.2479 -6.8316 -6.8316 -6.8265 -6.8265 -5.2226 -5.2226 -5.2188 -5.2188 2.1584 2.1584 2.3821 2.3821 6.2752 6.2752 6.3641 6.3641 13.9697 13.9697 14.8410 14.8410 k = 0.2667 0.4619-0.0000 ( 1391 PWs) bands (ev): -10.3947 -10.3947 -10.3795 -10.3795 -6.7246 -6.7246 -6.7196 -6.7196 -5.1225 -5.1225 -5.1187 -5.1187 2.0200 2.0200 2.2497 2.2497 6.4202 6.4202 6.5083 6.5083 13.7875 13.7875 14.8119 14.8119 k = 0.2627 0.4551-0.0000 ( 1391 PWs) bands (ev): -10.5258 -10.5258 -10.5103 -10.5103 -6.6159 -6.6159 -6.6110 -6.6110 -5.0203 -5.0203 -5.0166 -5.0166 1.8816 1.8816 2.1172 2.1172 6.5671 6.5671 6.6544 6.6544 13.6068 13.6068 14.7762 14.7762 k = 0.2588 0.4483-0.0000 ( 1395 PWs) bands (ev): -10.6559 -10.6559 -10.6401 -10.6401 -6.5056 -6.5056 -6.5007 -6.5007 -4.9162 -4.9162 -4.9125 -4.9125 1.7434 1.7434 1.9846 1.9846 6.7158 6.7158 6.8022 6.8022 13.4276 13.4276 14.7336 14.7336 k = 0.2549 0.4415-0.0000 ( 1391 PWs) bands (ev): -10.7849 -10.7849 -10.7689 -10.7689 -6.3936 -6.3936 -6.3888 -6.3888 -4.8102 -4.8102 -4.8064 -4.8064 1.6056 1.6056 1.8523 1.8523 6.8664 6.8664 6.9519 6.9519 13.2500 13.2500 14.6841 14.6841 k = 0.2510 0.4347-0.0000 ( 1395 PWs) bands (ev): -10.9127 -10.9127 -10.8965 -10.8965 -6.2800 -6.2800 -6.2753 -6.2753 -4.7025 -4.7025 -4.6988 -4.6988 1.4683 1.4683 1.7202 1.7202 7.0188 7.0188 7.1034 7.1034 13.0744 13.0744 14.6277 14.6277 k = 0.2471 0.4279-0.0000 ( 1389 PWs) bands (ev): -11.0393 -11.0393 -11.0228 -11.0228 -6.1647 -6.1647 -6.1602 -6.1602 -4.5931 -4.5931 -4.5896 -4.5896 1.3316 1.3316 1.5885 1.5885 7.1730 7.1730 7.2568 7.2568 12.9006 12.9006 14.5648 14.5648 k = 0.2431 0.4211-0.0000 ( 1385 PWs) bands (ev): -11.1645 -11.1645 -11.1478 -11.1478 -6.0480 -6.0480 -6.0435 -6.0435 -4.4823 -4.4823 -4.4788 -4.4788 1.1955 1.1955 1.4575 1.4575 7.3289 7.3289 7.4117 7.4117 12.7289 12.7289 14.4956 14.4956 k = 0.2392 0.4143-0.0000 ( 1385 PWs) bands (ev): -11.2883 -11.2883 -11.2713 -11.2713 -5.9297 -5.9297 -5.9253 -5.9253 -4.3701 -4.3701 -4.3667 -4.3667 1.0604 1.0604 1.3270 1.3270 7.4864 7.4864 7.5683 7.5683 12.5594 12.5594 14.4206 14.4206 k = 0.2353 0.4075-0.0000 ( 1389 PWs) bands (ev): -11.4107 -11.4107 -11.3935 -11.3935 -5.8099 -5.8099 -5.8055 -5.8055 -4.2566 -4.2566 -4.2532 -4.2532 0.9261 0.9261 1.1974 1.1974 7.6454 7.6454 7.7264 7.7264 12.3921 12.3921 14.3402 14.3402 k = 0.2314 0.4007-0.0000 ( 1385 PWs) bands (ev): -11.5315 -11.5315 -11.5141 -11.5141 -5.6886 -5.6886 -5.6843 -5.6843 -4.1419 -4.1419 -4.1386 -4.1386 0.7929 0.7929 1.0686 1.0686 7.8061 7.8061 7.8860 7.8860 12.2270 12.2270 14.2552 14.2552 k = 0.2275 0.3940-0.0000 ( 1385 PWs) bands (ev): -11.6508 -11.6508 -11.6331 -11.6331 -5.5657 -5.5657 -5.5616 -5.5616 -4.0260 -4.0260 -4.0227 -4.0227 0.6608 0.6608 0.9407 0.9407 7.9682 7.9682 8.0472 8.0472 12.0643 12.0643 14.1658 14.1658 k = 0.2235 0.3872-0.0000 ( 1387 PWs) bands (ev): -11.7685 -11.7685 -11.7506 -11.7506 -5.4415 -5.4415 -5.4374 -5.4374 -3.9090 -3.9090 -3.9059 -3.9059 0.5299 0.5299 0.8140 0.8140 8.1317 8.1317 8.2097 8.2097 11.9039 11.9039 14.0728 14.0728 k = 0.2196 0.3804-0.0000 ( 1391 PWs) bands (ev): -11.8845 -11.8845 -11.8664 -11.8664 -5.3157 -5.3157 -5.3117 -5.3117 -3.7911 -3.7911 -3.7880 -3.7880 0.4002 0.4002 0.6883 0.6883 8.2966 8.2966 8.3735 8.3735 11.7460 11.7460 13.9767 13.9767 k = 0.2157 0.3736-0.0000 ( 1399 PWs) bands (ev): -11.9990 -11.9990 -11.9805 -11.9805 -5.1886 -5.1886 -5.1847 -5.1847 -3.6723 -3.6723 -3.6692 -3.6692 0.2717 0.2717 0.5638 0.5638 8.4628 8.4628 8.5386 8.5386 11.5906 11.5906 13.8778 13.8778 k = 0.2118 0.3668-0.0000 ( 1399 PWs) bands (ev): -12.1116 -12.1116 -12.0929 -12.0929 -5.0601 -5.0601 -5.0562 -5.0562 -3.5526 -3.5526 -3.5496 -3.5496 0.1449 0.1449 0.4408 0.4408 8.6302 8.6302 8.7049 8.7049 11.4377 11.4377 13.7770 13.7770 k = 0.2078 0.3600-0.0000 ( 1399 PWs) bands (ev): -12.2224 -12.2224 -12.2035 -12.2035 -4.9302 -4.9302 -4.9264 -4.9264 -3.4322 -3.4322 -3.4293 -3.4293 0.0196 0.0196 0.3191 0.3191 8.7987 8.7987 8.8724 8.8724 11.2873 11.2873 13.6745 13.6745 k = 0.2039 0.3532-0.0000 ( 1395 PWs) bands (ev): -12.3314 -12.3314 -12.3124 -12.3124 -4.7989 -4.7989 -4.7953 -4.7953 -3.3111 -3.3111 -3.3083 -3.3083 -0.1041 -0.1041 0.1989 0.1989 8.9684 8.9684 9.0409 9.0409 11.1396 11.1396 13.5707 13.5707 k = 0.2000 0.3464-0.0000 ( 1395 PWs) bands (ev): -12.4387 -12.4387 -12.4194 -12.4194 -4.6665 -4.6665 -4.6629 -4.6629 -3.1894 -3.1894 -3.1867 -3.1867 -0.2262 -0.2262 0.0802 0.0802 9.1390 9.1390 9.2103 9.2103 10.9944 10.9944 13.4660 13.4660 k = 0.1961 0.3396-0.0000 ( 1399 PWs) bands (ev): -12.5441 -12.5441 -12.5247 -12.5247 -4.5327 -4.5327 -4.5293 -4.5293 -3.0673 -3.0673 -3.0647 -3.0647 -0.3466 -0.3466 -0.0369 -0.0369 9.3105 9.3105 9.3807 9.3807 10.8518 10.8518 13.3609 13.3609 k = 0.1922 0.3328-0.0000 ( 1403 PWs) bands (ev): -12.6477 -12.6477 -12.6280 -12.6280 -4.3978 -4.3978 -4.3944 -4.3944 -2.9448 -2.9448 -2.9422 -2.9422 -0.4652 -0.4652 -0.1523 -0.1523 9.4829 9.4829 9.5518 9.5518 10.7119 10.7119 13.2555 13.2555 k = 0.1882 0.3260-0.0000 ( 1403 PWs) bands (ev): -12.7494 -12.7494 -12.7295 -12.7295 -4.2617 -4.2617 -4.2584 -4.2584 -2.8219 -2.8219 -2.8194 -2.8194 -0.5820 -0.5820 -0.2661 -0.2661 9.6559 9.6559 9.7237 9.7237 10.5747 10.5747 13.1501 13.1501 k = 0.1843 0.3192-0.0000 ( 1399 PWs) bands (ev): -12.8491 -12.8491 -12.8291 -12.8291 -4.1245 -4.1245 -4.1213 -4.1213 -2.6988 -2.6988 -2.6964 -2.6964 -0.6969 -0.6969 -0.3780 -0.3780 9.8296 9.8296 9.8961 9.8961 10.4401 10.4401 13.0451 13.0451 k = 0.1804 0.3124-0.0000 ( 1403 PWs) bands (ev): -12.9471 -12.9471 -12.9268 -12.9268 -3.9863 -3.9863 -3.9831 -3.9831 -2.5756 -2.5756 -2.5732 -2.5732 -0.8099 -0.8099 -0.4882 -0.4882 10.0039 10.0039 10.0691 10.0691 10.3083 10.3083 12.9406 12.9406 k = 0.1765 0.3057-0.0000 ( 1395 PWs) bands (ev): -13.0430 -13.0430 -13.0226 -13.0226 -3.8468 -3.8468 -3.8437 -3.8437 -2.4523 -2.4523 -2.4500 -2.4500 -0.9210 -0.9210 -0.5966 -0.5966 10.1786 10.1786 10.1792 10.1792 10.2428 10.2428 12.8368 12.8368 k = 0.1725 0.2989-0.0000 ( 1395 PWs) bands (ev): -13.1370 -13.1370 -13.1164 -13.1164 -3.7066 -3.7066 -3.7035 -3.7035 -2.3290 -2.3290 -2.3268 -2.3268 -1.0301 -1.0301 -0.7030 -0.7030 10.0528 10.0528 10.3536 10.3536 10.4164 10.4164 12.7340 12.7340 k = 0.1686 0.2921-0.0000 ( 1395 PWs) bands (ev): -13.2291 -13.2291 -13.2082 -13.2082 -3.5654 -3.5654 -3.5625 -3.5625 -2.2060 -2.2060 -2.2038 -2.2038 -1.1371 -1.1371 -0.8075 -0.8075 9.9291 9.9291 10.5287 10.5287 10.5902 10.5902 12.6322 12.6322 k = 0.1647 0.2853-0.0000 ( 1389 PWs) bands (ev): -13.3191 -13.3191 -13.2982 -13.2982 -3.4233 -3.4233 -3.4203 -3.4203 -2.0831 -2.0831 -2.0810 -2.0810 -1.2421 -1.2421 -0.9100 -0.9100 9.8082 9.8082 10.7041 10.7041 10.7643 10.7643 12.5317 12.5317 k = 0.1608 0.2785-0.0000 ( 1389 PWs) bands (ev): -13.4072 -13.4072 -13.3861 -13.3861 -3.2805 -3.2805 -3.2776 -3.2776 -1.9607 -1.9607 -1.9586 -1.9586 -1.3450 -1.3450 -1.0105 -1.0105 9.6901 9.6901 10.8792 10.8792 10.9380 10.9380 12.4325 12.4325 k = 0.1569 0.2717-0.0000 ( 1385 PWs) bands (ev): -13.4933 -13.4933 -13.4720 -13.4720 -3.1369 -3.1369 -3.1342 -3.1342 -1.8386 -1.8386 -1.8366 -1.8366 -1.4458 -1.4458 -1.1089 -1.1089 9.5747 9.5747 11.0541 11.0541 11.1115 11.1115 12.3349 12.3349 k = 0.1529 0.2649-0.0000 ( 1385 PWs) bands (ev): -13.5773 -13.5773 -13.5559 -13.5559 -2.9929 -2.9929 -2.9902 -2.9902 -1.7172 -1.7172 -1.7153 -1.7153 -1.5443 -1.5443 -1.2053 -1.2053 9.4622 9.4622 11.2287 11.2287 11.2847 11.2847 12.2388 12.2388 k = 0.1490 0.2581-0.0000 ( 1385 PWs) bands (ev): -13.6594 -13.6594 -13.6378 -13.6378 -2.8483 -2.8483 -2.8456 -2.8456 -1.6408 -1.6408 -1.5964 -1.5964 -1.5946 -1.5946 -1.2995 -1.2995 9.3524 9.3524 11.4027 11.4027 11.4574 11.4574 12.1444 12.1444 k = 0.1451 0.2513-0.0000 ( 1389 PWs) bands (ev): -13.7394 -13.7394 -13.7177 -13.7177 -2.7033 -2.7033 -2.7007 -2.7007 -1.7349 -1.7349 -1.4765 -1.4765 -1.4748 -1.4748 -1.3916 -1.3916 9.2454 9.2454 11.5761 11.5761 11.6294 11.6294 12.0519 12.0519 k = 0.1412 0.2445-0.0000 ( 1385 PWs) bands (ev): -13.8174 -13.8174 -13.7955 -13.7955 -2.5578 -2.5578 -2.5552 -2.5552 -1.8268 -1.8268 -1.4815 -1.4815 -1.3575 -1.3575 -1.3557 -1.3557 9.1413 9.1413 11.7487 11.7487 11.8006 11.8006 11.9612 11.9612 k = 0.1373 0.2377-0.0000 ( 1383 PWs) bands (ev): -13.8933 -13.8933 -13.8713 -13.8713 -2.4121 -2.4121 -2.4096 -2.4096 -1.9164 -1.9164 -1.5692 -1.5692 -1.2395 -1.2395 -1.2378 -1.2378 9.0399 9.0399 11.8717 11.8717 11.9210 11.9210 11.9707 11.9707 k = 0.1333 0.2309-0.0000 ( 1383 PWs) bands (ev): -13.9672 -13.9672 -13.9450 -13.9450 -2.2664 -2.2664 -2.2640 -2.2640 -2.0037 -2.0037 -1.6547 -1.6547 -1.1227 -1.1227 -1.1211 -1.1211 8.9414 8.9414 11.7855 11.7855 12.0910 12.0910 12.1398 12.1398 k = 0.1294 0.2241-0.0000 ( 1385 PWs) bands (ev): -14.0390 -14.0390 -14.0167 -14.0167 -2.1206 -2.1206 -2.1183 -2.1183 -2.0888 -2.0888 -1.7379 -1.7379 -1.0072 -1.0072 -1.0056 -1.0056 8.8457 8.8457 11.7007 11.7007 12.2601 12.2601 12.3075 12.3075 k = 0.1255 0.2174-0.0000 ( 1385 PWs) bands (ev): -14.1087 -14.1087 -14.0863 -14.0863 -2.1714 -2.1714 -1.9749 -1.9749 -1.9727 -1.9727 -1.8188 -1.8188 -0.8931 -0.8931 -0.8916 -0.8916 8.7528 8.7528 11.6181 11.6181 12.4277 12.4277 12.4736 12.4736 k = 0.1216 0.2106-0.0000 ( 1387 PWs) bands (ev): -14.1763 -14.1763 -14.1538 -14.1538 -2.2518 -2.2518 -1.8975 -1.8975 -1.8295 -1.8295 -1.8273 -1.8273 -0.7805 -0.7805 -0.7791 -0.7791 8.6628 8.6628 11.5377 11.5377 12.5936 12.5936 12.6381 12.6381 k = 0.1176 0.2038-0.0000 ( 1387 PWs) bands (ev): -14.2419 -14.2419 -14.2192 -14.2192 -2.3297 -2.3297 -1.9738 -1.9738 -1.6845 -1.6845 -1.6824 -1.6824 -0.6696 -0.6696 -0.6683 -0.6683 8.5756 8.5756 11.4595 11.4595 12.7576 12.7576 12.8006 12.8006 k = 0.1137 0.1970-0.0000 ( 1391 PWs) bands (ev): -14.3053 -14.3053 -14.2826 -14.2826 -2.4052 -2.4052 -2.0478 -2.0478 -1.5401 -1.5401 -1.5380 -1.5380 -0.5606 -0.5606 -0.5594 -0.5594 8.4912 8.4912 11.3836 11.3836 12.9194 12.9194 12.9610 12.9610 k = 0.1098 0.1902-0.0000 ( 1391 PWs) bands (ev): -14.3667 -14.3667 -14.3438 -14.3438 -2.4782 -2.4782 -2.1194 -2.1194 -1.3964 -1.3964 -1.3944 -1.3944 -0.4535 -0.4535 -0.4523 -0.4523 8.4097 8.4097 11.3100 11.3100 13.0789 13.0789 13.1190 13.1190 k = 0.1059 0.1834-0.0000 ( 1391 PWs) bands (ev): -14.4259 -14.4259 -14.4029 -14.4029 -2.5489 -2.5489 -2.1886 -2.1886 -1.2536 -1.2536 -1.2517 -1.2517 -0.3485 -0.3485 -0.3473 -0.3473 8.3310 8.3310 11.2388 11.2388 13.1521 13.1521 13.2302 13.2302 k = 0.1020 0.1766-0.0000 ( 1391 PWs) bands (ev): -14.4831 -14.4831 -14.4600 -14.4600 -2.6170 -2.6170 -2.2555 -2.2555 -1.1119 -1.1119 -1.1100 -1.1100 -0.2457 -0.2457 -0.2446 -0.2446 8.2552 8.2552 11.1699 11.1699 13.1041 13.1041 13.1806 13.1806 k = 0.0980 0.1698-0.0000 ( 1389 PWs) bands (ev): -14.5381 -14.5381 -14.5149 -14.5149 -2.6827 -2.6827 -2.3199 -2.3199 -0.9712 -0.9712 -0.9696 -0.9696 -0.1452 -0.1452 -0.1442 -0.1442 8.1823 8.1823 11.1034 11.1034 13.0588 13.0588 13.1324 13.1324 k = 0.0941 0.1630-0.0000 ( 1393 PWs) bands (ev): -14.5910 -14.5910 -14.5677 -14.5677 -2.7460 -2.7460 -2.3820 -2.3820 -0.8324 -0.8324 -0.8308 -0.8308 -0.0473 -0.0473 -0.0464 -0.0464 8.1122 8.1122 11.0393 11.0393 13.0157 13.0157 13.0867 13.0867 k = 0.0902 0.1562-0.0000 ( 1393 PWs) bands (ev): -14.6418 -14.6418 -14.6184 -14.6184 -2.8068 -2.8068 -2.4415 -2.4415 -0.6953 -0.6953 -0.6938 -0.6938 0.0479 0.0479 0.0488 0.0488 8.0450 8.0450 10.9777 10.9777 12.9752 12.9752 13.0433 13.0433 k = 0.0863 0.1494-0.0000 ( 1393 PWs) bands (ev): -14.6904 -14.6904 -14.6669 -14.6669 -2.8650 -2.8650 -2.4987 -2.4987 -0.5602 -0.5602 -0.5588 -0.5588 0.1404 0.1404 0.1413 0.1413 7.9806 7.9806 10.9186 10.9186 12.9372 12.9372 13.0023 13.0023 k = 0.0824 0.1426-0.0000 ( 1393 PWs) bands (ev): -14.7369 -14.7369 -14.7133 -14.7133 -2.9207 -2.9207 -2.5533 -2.5533 -0.4275 -0.4275 -0.4261 -0.4261 0.2299 0.2299 0.2308 0.2308 7.9191 7.9191 10.8620 10.8620 12.9016 12.9016 12.9635 12.9635 k = 0.0784 0.1358-0.0000 ( 1393 PWs) bands (ev): -14.7813 -14.7813 -14.7576 -14.7576 -2.9739 -2.9739 -2.6055 -2.6055 -0.2973 -0.2973 -0.2959 -0.2959 0.3164 0.3164 0.3172 0.3172 7.8604 7.8604 10.8079 10.8079 12.8684 12.8684 12.9270 12.9270 k = 0.0745 0.1291-0.0000 ( 1393 PWs) bands (ev): -14.8235 -14.8235 -14.7997 -14.7997 -3.0246 -3.0246 -2.6552 -2.6552 -0.1700 -0.1700 -0.1687 -0.1687 0.3996 0.3996 0.4005 0.4005 7.8047 7.8047 10.7564 10.7564 12.8374 12.8374 12.8927 12.8927 k = 0.0706 0.1223-0.0000 ( 1397 PWs) bands (ev): -14.8636 -14.8636 -14.8397 -14.8397 -3.0727 -3.0727 -2.7025 -2.7025 -0.0459 -0.0459 -0.0448 -0.0448 0.4795 0.4795 0.4803 0.4803 7.7518 7.7518 10.7074 10.7074 12.8087 12.8087 12.8602 12.8602 k = 0.0667 0.1155-0.0000 ( 1401 PWs) bands (ev): -14.9015 -14.9015 -14.8776 -14.8776 -3.1182 -3.1182 -2.7472 -2.7472 0.0746 0.0746 0.0758 0.0758 0.5556 0.5556 0.5566 0.5566 7.7017 7.7017 10.6609 10.6609 12.7822 12.7822 12.8302 12.8302 k = 0.0627 0.1087-0.0000 ( 1401 PWs) bands (ev): -14.9373 -14.9373 -14.9133 -14.9133 -3.1612 -3.1612 -2.7894 -2.7894 0.1914 0.1914 0.1925 0.1925 0.6283 0.6283 0.6294 0.6294 7.6545 7.6545 10.6171 10.6171 12.7579 12.7579 12.8023 12.8023 k = 0.0588 0.1019-0.0000 ( 1405 PWs) bands (ev): -14.9709 -14.9709 -14.9469 -14.9469 -3.2016 -3.2016 -2.8291 -2.8291 0.3037 0.3037 0.3049 0.3049 0.6974 0.6974 0.6984 0.6984 7.6102 7.6102 10.5759 10.5759 12.7354 12.7354 12.7763 12.7763 k = 0.0549 0.0951-0.0000 ( 1405 PWs) bands (ev): -15.0024 -15.0024 -14.9783 -14.9783 -3.2395 -3.2395 -2.8663 -2.8663 0.4115 0.4115 0.4126 0.4126 0.7626 0.7626 0.7637 0.7637 7.5688 7.5688 10.5372 10.5372 12.7152 12.7152 12.7524 12.7524 k = 0.0510 0.0883-0.0000 ( 1401 PWs) bands (ev): -15.0316 -15.0316 -15.0075 -15.0075 -3.2747 -3.2747 -2.9008 -2.9008 0.5142 0.5142 0.5154 0.5154 0.8239 0.8239 0.8250 0.8250 7.5302 7.5302 10.5012 10.5012 12.6970 12.6970 12.7306 12.7306 k = 0.0471 0.0815-0.0000 ( 1401 PWs) bands (ev): -15.0588 -15.0588 -15.0346 -15.0346 -3.3074 -3.3074 -2.9329 -2.9329 0.6116 0.6116 0.6127 0.6127 0.8812 0.8812 0.8822 0.8822 7.4945 7.4945 10.4679 10.4679 12.6806 12.6806 12.7105 12.7105 k = 0.0431 0.0747-0.0000 ( 1401 PWs) bands (ev): -15.0838 -15.0838 -15.0595 -15.0595 -3.3375 -3.3375 -2.9625 -2.9625 0.7031 0.7031 0.7041 0.7041 0.9342 0.9342 0.9352 0.9352 7.4616 7.4616 10.4371 10.4371 12.6660 12.6660 12.6923 12.6923 k = 0.0392 0.0679-0.0000 ( 1397 PWs) bands (ev): -15.1066 -15.1066 -15.0823 -15.0823 -3.3649 -3.3649 -2.9894 -2.9894 0.7885 0.7885 0.7896 0.7896 0.9830 0.9830 0.9841 0.9841 7.4316 7.4316 10.4090 10.4090 12.6530 12.6530 12.6760 12.6760 k = 0.0353 0.0611-0.0000 ( 1397 PWs) bands (ev): -15.1272 -15.1272 -15.1029 -15.1029 -3.3898 -3.3898 -3.0139 -3.0139 0.8671 0.8671 0.8682 0.8682 1.0275 1.0275 1.0285 1.0285 7.4045 7.4045 10.3836 10.3836 12.6416 12.6416 12.6613 12.6613 k = 0.0314 0.0543-0.0000 ( 1401 PWs) bands (ev): -15.1457 -15.1457 -15.1213 -15.1213 -3.4121 -3.4121 -3.0357 -3.0357 0.9386 0.9386 0.9396 0.9396 1.0674 1.0674 1.0685 1.0685 7.3802 7.3802 10.3608 10.3608 12.6315 12.6315 12.6480 12.6480 k = 0.0275 0.0475-0.0000 ( 1401 PWs) bands (ev): -15.1620 -15.1620 -15.1376 -15.1376 -3.4317 -3.4317 -3.0550 -3.0550 1.0028 1.0028 1.0038 1.0038 1.1029 1.1029 1.1039 1.1039 7.3588 7.3588 10.3407 10.3407 12.6230 12.6230 12.6366 12.6366 k = 0.0235 0.0408-0.0000 ( 1401 PWs) bands (ev): -15.1761 -15.1761 -15.1517 -15.1517 -3.4488 -3.4488 -3.0718 -3.0718 1.0592 1.0592 1.0601 1.0601 1.1339 1.1339 1.1349 1.1349 7.3402 7.3402 10.3233 10.3233 12.6158 12.6158 12.6268 12.6268 k = 0.0196 0.0340-0.0000 ( 1409 PWs) bands (ev): -15.1881 -15.1881 -15.1637 -15.1637 -3.4632 -3.4632 -3.0860 -3.0860 1.1074 1.1074 1.1083 1.1083 1.1601 1.1601 1.1610 1.1610 7.3245 7.3245 10.3085 10.3085 12.6098 12.6098 12.6186 12.6186 k = 0.0157 0.0272-0.0000 ( 1415 PWs) bands (ev): -15.1979 -15.1979 -15.1734 -15.1734 -3.4751 -3.4751 -3.0976 -3.0976 1.1471 1.1471 1.1481 1.1481 1.1818 1.1818 1.1827 1.1827 7.3117 7.3117 10.2964 10.2964 12.6048 12.6048 12.6118 12.6118 k = 0.0118 0.0204-0.0000 ( 1415 PWs) bands (ev): -15.2055 -15.2055 -15.1810 -15.1810 -3.4842 -3.4842 -3.1066 -3.1066 1.1780 1.1780 1.1790 1.1790 1.1990 1.1990 1.1999 1.1999 7.3017 7.3017 10.2870 10.2870 12.6010 12.6010 12.6065 12.6065 k = 0.0078 0.0136-0.0000 ( 1419 PWs) bands (ev): -15.2109 -15.2109 -15.1865 -15.1865 -3.4908 -3.4908 -3.1131 -3.1131 1.1996 1.1996 1.2005 1.2005 1.2119 1.2119 1.2128 1.2128 7.2946 7.2946 10.2803 10.2803 12.5979 12.5979 12.6023 12.6024 k = 0.0039 0.0068-0.0000 ( 1423 PWs) bands (ev): -15.2142 -15.2142 -15.1897 -15.1897 -3.4947 -3.4947 -3.1170 -3.1170 1.2115 1.2115 1.2123 1.2123 1.2208 1.2208 1.2217 1.2217 7.2903 7.2903 10.2762 10.2762 12.5950 12.5952 12.5988 12.6038 k = 0.0000 0.0000 0.0000 ( 1427 PWs) bands (ev): -15.2153 -15.2153 -15.1908 -15.1908 -3.4961 -3.4961 -3.1183 -3.1183 1.2149 1.2149 1.2159 1.2159 1.2240 1.2240 1.2250 1.2250 7.2889 7.2889 10.2749 10.2749 12.5925 12.5925 12.5962 12.5962 k = 0.0000 0.0000 0.0000 ( 1427 PWs) bands (ev): -15.2153 -15.2153 -15.1908 -15.1908 -3.4961 -3.4961 -3.1183 -3.1183 1.2149 1.2149 1.2159 1.2159 1.2240 1.2240 1.2250 1.2250 7.2889 7.2889 10.2749 10.2749 12.5925 12.5925 12.5962 12.5962 k = 0.0000 0.0000 0.0078 ( 1426 PWs) bands (ev): -15.2152 -15.2152 -15.1908 -15.1908 -3.4953 -3.4953 -3.1190 -3.1190 1.2149 1.2149 1.2159 1.2159 1.2240 1.2240 1.2250 1.2250 7.2926 7.2926 10.2635 10.2635 12.5927 12.5930 12.5963 12.6006 k = 0.0000 0.0000 0.0155 ( 1408 PWs) bands (ev): -15.2151 -15.2151 -15.1910 -15.1910 -3.4933 -3.4933 -3.1213 -3.1213 1.2153 1.2153 1.2162 1.2162 1.2244 1.2244 1.2253 1.2253 7.3039 7.3039 10.2295 10.2295 12.5929 12.5929 12.5964 12.5968 k = 0.0000 0.0000 0.0233 ( 1408 PWs) bands (ev): -15.2148 -15.2148 -15.1912 -15.1912 -3.4900 -3.4900 -3.1251 -3.1251 1.2153 1.2153 1.2161 1.2161 1.2244 1.2244 1.2253 1.2253 7.3226 7.3226 10.1747 10.1747 12.5930 12.5961 12.5966 12.6006 k = 0.0000 0.0000 0.0310 ( 1408 PWs) bands (ev): -15.2145 -15.2145 -15.1915 -15.1915 -3.4854 -3.4854 -3.1304 -3.1304 1.2153 1.2153 1.2161 1.2161 1.2244 1.2244 1.2253 1.2253 7.3488 7.3488 10.1016 10.1016 12.5930 12.5933 12.5966 12.5972 k = 0.0000 0.0000 0.0388 ( 1414 PWs) bands (ev): -15.2141 -15.2141 -15.1919 -15.1919 -3.4795 -3.4795 -3.1372 -3.1372 1.2153 1.2153 1.2161 1.2161 1.2244 1.2244 1.2252 1.2252 7.3824 7.3824 10.0129 10.0129 12.5932 12.5937 12.5964 12.6022 k = 0.0000 0.0000 0.0465 ( 1414 PWs) bands (ev): -15.2136 -15.2136 -15.1924 -15.1924 -3.4723 -3.4723 -3.1453 -3.1453 1.2153 1.2153 1.2160 1.2160 1.2244 1.2244 1.2252 1.2252 7.4232 7.4232 9.9116 9.9116 12.5932 12.5943 12.5968 12.6008 k = 0.0000 0.0000 0.0543 ( 1414 PWs) bands (ev): -15.2130 -15.2130 -15.1930 -15.1930 -3.4640 -3.4640 -3.1547 -3.1547 1.2153 1.2153 1.2160 1.2160 1.2244 1.2244 1.2251 1.2251 7.4711 7.4711 9.8003 9.8003 12.5936 12.5941 12.5967 12.5994 k = 0.0000 0.0000 0.0621 ( 1396 PWs) bands (ev): -15.2124 -15.2124 -15.1936 -15.1936 -3.4545 -3.4545 -3.1653 -3.1653 1.2156 1.2156 1.2161 1.2161 1.2247 1.2247 1.2252 1.2252 7.5261 7.5261 9.6815 9.6815 12.5935 12.5935 12.5961 12.5961 k = 0.0000 0.0000 0.0698 ( 1396 PWs) bands (ev): -15.2117 -15.2117 -15.1944 -15.1944 -3.4439 -3.4439 -3.1770 -3.1770 1.2156 1.2156 1.2160 1.2160 1.2247 1.2247 1.2252 1.2252 7.5879 7.5879 9.5573 9.5573 12.5936 12.5936 12.5960 12.5960 k = 0.0000 0.0000 0.0776 ( 1396 PWs) bands (ev): -15.2109 -15.2109 -15.1952 -15.1952 -3.4323 -3.4323 -3.1897 -3.1897 1.2156 1.2156 1.2160 1.2160 1.2247 1.2247 1.2251 1.2251 7.6564 7.6564 9.4296 9.4296 12.5939 12.5941 12.5960 12.5964 k = 0.0000 0.0000 0.0853 ( 1396 PWs) bands (ev): -15.2100 -15.2100 -15.1960 -15.1960 -3.4199 -3.4199 -3.2034 -3.2034 1.2156 1.2156 1.2160 1.2160 1.2247 1.2247 1.2251 1.2251 7.7315 7.7315 9.2997 9.2997 12.5938 12.5938 12.5958 12.5958 k = 0.0000 0.0000 0.0931 ( 1396 PWs) bands (ev): -15.2091 -15.2091 -15.1969 -15.1969 -3.4065 -3.4065 -3.2178 -3.2178 1.2156 1.2156 1.2160 1.2160 1.2247 1.2247 1.2251 1.2251 7.8128 7.8128 9.1691 9.1691 12.5939 12.5939 12.5957 12.5957 k = 0.0000 0.0000 0.1008 ( 1402 PWs) bands (ev): -15.2082 -15.2082 -15.1979 -15.1979 -3.3924 -3.3924 -3.2329 -3.2329 1.2156 1.2156 1.2159 1.2159 1.2248 1.2248 1.2250 1.2250 7.9002 7.9002 9.0387 9.0387 12.5940 12.5940 12.5954 12.5954 k = 0.0000 0.0000 0.1086 ( 1402 PWs) bands (ev): -15.2072 -15.2072 -15.1989 -15.1989 -3.3776 -3.3776 -3.2485 -3.2485 1.2157 1.2157 1.2159 1.2159 1.2248 1.2248 1.2250 1.2250 7.9935 7.9935 8.9096 8.9096 12.5941 12.5941 12.5953 12.5953 k = 0.0000 0.0000 0.1163 ( 1402 PWs) bands (ev): -15.2062 -15.2062 -15.1999 -15.1999 -3.3623 -3.3623 -3.2645 -3.2645 1.2157 1.2157 1.2159 1.2159 1.2248 1.2248 1.2250 1.2250 8.0922 8.0922 8.7824 8.7824 12.5943 12.5943 12.5951 12.5951 k = 0.0000 0.0000 0.1241 ( 1402 PWs) bands (ev): -15.2051 -15.2051 -15.2010 -15.2010 -3.3465 -3.3465 -3.2808 -3.2808 1.2157 1.2157 1.2158 1.2158 1.2248 1.2248 1.2250 1.2250 8.1963 8.1963 8.6578 8.6578 12.5944 12.5944 12.5950 12.5950 k = 0.0000 0.0000 0.1319 ( 1396 PWs) bands (ev): -15.2041 -15.2041 -15.2019 -15.2019 -3.3301 -3.3301 -3.2973 -3.2973 1.2157 1.2157 1.2158 1.2158 1.2249 1.2249 1.2249 1.2249 8.3052 8.3052 8.5364 8.5364 12.5946 12.5946 12.5949 12.5949 k = 0.0000 0.0000 0.1396 ( 1402 PWs) bands (ev): -15.2030 -15.2030 -15.2030 -15.2030 -3.3138 -3.3138 -3.3138 -3.3138 1.2158 1.2158 1.2158 1.2158 1.2249 1.2249 1.2249 1.2249 8.4187 8.4187 8.4187 8.4187 12.5947 12.5947 12.5947 12.5947 k = 0.0000 0.0000 0.1396 ( 1402 PWs) bands (ev): -15.2030 -15.2030 -15.2030 -15.2030 -3.3138 -3.3138 -3.3138 -3.3138 1.2158 1.2158 1.2158 1.2158 1.2249 1.2249 1.2249 1.2249 8.4187 8.4187 8.4187 8.4187 12.5947 12.5947 12.5947 12.5947 k = 0.0068 0.0039 0.1396 ( 1402 PWs) bands (ev): -15.2019 -15.2019 -15.2019 -15.2019 -3.3125 -3.3125 -3.3125 -3.3125 1.2122 1.2122 1.2122 1.2122 1.2216 1.2216 1.2216 1.2216 8.4201 8.4201 8.4201 8.4201 12.5969 12.5969 12.5969 12.5970 k = 0.0135 0.0078 0.1396 ( 1402 PWs) bands (ev): -15.1987 -15.1987 -15.1987 -15.1987 -3.3086 -3.3086 -3.3086 -3.3086 1.2004 1.2004 1.2004 1.2004 1.2128 1.2128 1.2128 1.2128 8.4242 8.4242 8.4242 8.4242 12.6005 12.6005 12.6005 12.6005 k = 0.0203 0.0117 0.1396 ( 1400 PWs) bands (ev): -15.1933 -15.1933 -15.1933 -15.1933 -3.3022 -3.3022 -3.3022 -3.3022 1.1790 1.1790 1.1790 1.1790 1.2000 1.2000 1.2000 1.2000 8.4311 8.4311 8.4311 8.4311 12.6043 12.6043 12.6043 12.6043 k = 0.0270 0.0156 0.1396 ( 1400 PWs) bands (ev): -15.1858 -15.1858 -15.1858 -15.1858 -3.2931 -3.2931 -3.2931 -3.2931 1.1482 1.1482 1.1482 1.1482 1.1831 1.1831 1.1831 1.1831 8.4408 8.4408 8.4408 8.4408 12.6090 12.6090 12.6090 12.6091 k = 0.0338 0.0195 0.1396 ( 1400 PWs) bands (ev): -15.1762 -15.1762 -15.1762 -15.1762 -3.2816 -3.2816 -3.2816 -3.2816 1.1086 1.1086 1.1086 1.1086 1.1619 1.1619 1.1619 1.1619 8.4532 8.4532 8.4532 8.4532 12.6147 12.6147 12.6147 12.6147 k = 0.0405 0.0234 0.1396 ( 1402 PWs) bands (ev): -15.1643 -15.1643 -15.1643 -15.1643 -3.2674 -3.2674 -3.2674 -3.2674 1.0602 1.0602 1.0602 1.0602 1.1364 1.1364 1.1364 1.1364 8.4684 8.4684 8.4684 8.4684 12.6212 12.6212 12.6212 12.6212 k = 0.0473 0.0273 0.1396 ( 1402 PWs) bands (ev): -15.1504 -15.1504 -15.1504 -15.1504 -3.2507 -3.2507 -3.2507 -3.2507 1.0036 1.0036 1.0036 1.0036 1.1066 1.1066 1.1066 1.1066 8.4863 8.4863 8.4863 8.4863 12.6282 12.6282 12.6282 12.6282 k = 0.0541 0.0312 0.1396 ( 1402 PWs) bands (ev): -15.1342 -15.1342 -15.1342 -15.1342 -3.2314 -3.2314 -3.2314 -3.2314 0.9389 0.9389 0.9389 0.9389 1.0727 1.0727 1.0727 1.0727 8.5069 8.5069 8.5069 8.5069 12.6355 12.6355 12.6355 12.6355 k = 0.0608 0.0351 0.1396 ( 1410 PWs) bands (ev): -15.1160 -15.1160 -15.1160 -15.1160 -3.2096 -3.2096 -3.2096 -3.2096 0.8663 0.8663 0.8663 0.8663 1.0348 1.0348 1.0348 1.0348 8.5304 8.5304 8.5304 8.5304 12.6428 12.6428 12.6428 12.6428 k = 0.0676 0.0390 0.1396 ( 1410 PWs) bands (ev): -15.0956 -15.0956 -15.0956 -15.0956 -3.1852 -3.1852 -3.1852 -3.1852 0.7861 0.7861 0.7861 0.7861 0.9933 0.9933 0.9933 0.9933 8.5566 8.5566 8.5566 8.5566 12.6501 12.6501 12.6501 12.6501 k = 0.0743 0.0429 0.1396 ( 1404 PWs) bands (ev): -15.0730 -15.0730 -15.0730 -15.0730 -3.1582 -3.1582 -3.1582 -3.1582 0.6988 0.6988 0.6988 0.6988 0.9482 0.9482 0.9482 0.9482 8.5855 8.5855 8.5855 8.5855 12.6572 12.6572 12.6572 12.6572 k = 0.0811 0.0468 0.1396 ( 1404 PWs) bands (ev): -15.0483 -15.0483 -15.0483 -15.0483 -3.1287 -3.1287 -3.1287 -3.1287 0.6044 0.6044 0.6044 0.6044 0.8998 0.8998 0.8998 0.8998 8.6172 8.6172 8.6172 8.6172 12.6634 12.6634 12.6634 12.6634 k = 0.0878 0.0507 0.1396 ( 1404 PWs) bands (ev): -15.0215 -15.0215 -15.0215 -15.0215 -3.0966 -3.0966 -3.0966 -3.0966 0.5033 0.5033 0.5033 0.5033 0.8483 0.8483 0.8483 0.8483 8.6516 8.6516 8.6516 8.6516 12.6686 12.6686 12.6686 12.6686 k = 0.0946 0.0546 0.1396 ( 1400 PWs) bands (ev): -14.9925 -14.9925 -14.9925 -14.9925 -3.0620 -3.0620 -3.0620 -3.0620 0.3960 0.3960 0.3960 0.3960 0.7940 0.7940 0.7940 0.7940 8.6888 8.6888 8.6888 8.6888 12.6728 12.6728 12.6728 12.6728 k = 0.1014 0.0585 0.1396 ( 1398 PWs) bands (ev): -14.9614 -14.9614 -14.9614 -14.9614 -3.0249 -3.0249 -3.0249 -3.0249 0.2827 0.2827 0.2827 0.2827 0.7370 0.7370 0.7370 0.7370 8.7288 8.7288 8.7288 8.7288 12.6757 12.6757 12.6757 12.6757 k = 0.1081 0.0624 0.1396 ( 1400 PWs) bands (ev): -14.9282 -14.9282 -14.9282 -14.9282 -2.9852 -2.9852 -2.9852 -2.9852 0.1634 0.1634 0.1634 0.1634 0.6775 0.6775 0.6775 0.6775 8.7714 8.7714 8.7714 8.7714 12.6769 12.6769 12.6769 12.6769 k = 0.1149 0.0663 0.1396 ( 1400 PWs) bands (ev): -14.8928 -14.8928 -14.8928 -14.8928 -2.9430 -2.9430 -2.9430 -2.9430 0.0389 0.0389 0.0389 0.0389 0.6159 0.6159 0.6159 0.6159 8.8169 8.8169 8.8169 8.8169 12.6765 12.6765 12.6765 12.6765 k = 0.1216 0.0702 0.1396 ( 1394 PWs) bands (ev): -14.8553 -14.8553 -14.8553 -14.8553 -2.8983 -2.8983 -2.8983 -2.8983 -0.0906 -0.0906 -0.0906 -0.0906 0.5522 0.5522 0.5522 0.5522 8.8650 8.8650 8.8650 8.8650 12.6745 12.6745 12.6745 12.6745 k = 0.1284 0.0741 0.1396 ( 1394 PWs) bands (ev): -14.8157 -14.8157 -14.8157 -14.8157 -2.8511 -2.8511 -2.8511 -2.8511 -0.2249 -0.2249 -0.2249 -0.2249 0.4868 0.4868 0.4868 0.4868 8.9159 8.9159 8.9159 8.9159 12.6705 12.6705 12.6705 12.6705 k = 0.1351 0.0780 0.1396 ( 1390 PWs) bands (ev): -14.7739 -14.7739 -14.7739 -14.7739 -2.8014 -2.8014 -2.8014 -2.8014 -0.3636 -0.3636 -0.3636 -0.3636 0.4199 0.4199 0.4199 0.4199 8.9695 8.9695 8.9695 8.9695 12.6646 12.6646 12.6646 12.6646 k = 0.1419 0.0819 0.1396 ( 1386 PWs) bands (ev): -14.7301 -14.7301 -14.7301 -14.7301 -2.7493 -2.7493 -2.7493 -2.7493 -0.5065 -0.5065 -0.5065 -0.5065 0.3517 0.3517 0.3517 0.3517 9.0258 9.0258 9.0258 9.0258 12.6569 12.6569 12.6569 12.6569 k = 0.1486 0.0858 0.1396 ( 1394 PWs) bands (ev): -14.6841 -14.6841 -14.6841 -14.6841 -2.6947 -2.6947 -2.6947 -2.6947 -0.6534 -0.6534 -0.6534 -0.6534 0.2822 0.2822 0.2822 0.2822 9.0848 9.0848 9.0848 9.0848 12.6472 12.6472 12.6472 12.6472 k = 0.1554 0.0897 0.1396 ( 1394 PWs) bands (ev): -14.6360 -14.6360 -14.6360 -14.6360 -2.6376 -2.6376 -2.6376 -2.6376 -0.8037 -0.8037 -0.8037 -0.8037 0.2118 0.2118 0.2118 0.2118 9.1465 9.1465 9.1465 9.1465 12.6357 12.6357 12.6357 12.6357 k = 0.1622 0.0936 0.1396 ( 1388 PWs) bands (ev): -14.5858 -14.5858 -14.5858 -14.5858 -2.5780 -2.5780 -2.5780 -2.5780 -0.9573 -0.9573 -0.9573 -0.9573 0.1407 0.1407 0.1407 0.1407 9.2109 9.2109 9.2109 9.2109 12.6225 12.6225 12.6225 12.6225 k = 0.1689 0.0975 0.1396 ( 1388 PWs) bands (ev): -14.5335 -14.5335 -14.5335 -14.5335 -2.5160 -2.5160 -2.5160 -2.5160 -1.1141 -1.1141 -1.1141 -1.1141 0.0689 0.0689 0.0689 0.0689 9.2780 9.2780 9.2780 9.2780 12.6076 12.6076 12.6076 12.6076 k = 0.1757 0.1014 0.1396 ( 1388 PWs) bands (ev): -14.4791 -14.4791 -14.4791 -14.4791 -2.4516 -2.4516 -2.4516 -2.4516 -1.2736 -1.2736 -1.2736 -1.2736 -0.0032 -0.0032 -0.0032 -0.0032 9.3477 9.3477 9.3477 9.3477 12.5910 12.5910 12.5910 12.5910 k = 0.1824 0.1053 0.1396 ( 1388 PWs) bands (ev): -14.4226 -14.4226 -14.4226 -14.4226 -2.3848 -2.3848 -2.3848 -2.3848 -1.4357 -1.4357 -1.4357 -1.4357 -0.0757 -0.0757 -0.0757 -0.0757 9.4200 9.4200 9.4200 9.4200 12.5728 12.5728 12.5728 12.5728 k = 0.1892 0.1092 0.1396 ( 1392 PWs) bands (ev): -14.3640 -14.3640 -14.3640 -14.3640 -2.3156 -2.3156 -2.3156 -2.3156 -1.6002 -1.6002 -1.6002 -1.6002 -0.1483 -0.1483 -0.1483 -0.1483 9.4949 9.4949 9.4949 9.4949 12.5532 12.5532 12.5532 12.5532 k = 0.1959 0.1131 0.1396 ( 1390 PWs) bands (ev): -14.3033 -14.3033 -14.3033 -14.3033 -2.2441 -2.2441 -2.2441 -2.2441 -1.7669 -1.7669 -1.7669 -1.7669 -0.2207 -0.2207 -0.2207 -0.2207 9.5723 9.5723 9.5723 9.5723 12.5322 12.5322 12.5322 12.5322 k = 0.2027 0.1170 0.1396 ( 1390 PWs) bands (ev): -14.2406 -14.2406 -14.2406 -14.2406 -2.1702 -2.1702 -2.1702 -2.1702 -1.9354 -1.9354 -1.9354 -1.9354 -0.2931 -0.2931 -0.2931 -0.2931 9.6522 9.6522 9.6522 9.6522 12.5096 12.5096 12.5096 12.5096 k = 0.2095 0.1209 0.1396 ( 1388 PWs) bands (ev): -14.1758 -14.1758 -14.1758 -14.1758 -2.1059 -2.1059 -2.1059 -2.1059 -2.0937 -2.0937 -2.0937 -2.0937 -0.3651 -0.3651 -0.3651 -0.3651 9.7346 9.7346 9.7346 9.7346 12.4840 12.4840 12.4840 12.4840 k = 0.2162 0.1248 0.1396 ( 1388 PWs) bands (ev): -14.1089 -14.1089 -14.1089 -14.1089 -2.2775 -2.2775 -2.2775 -2.2775 -2.0154 -2.0154 -2.0154 -2.0154 -0.4368 -0.4368 -0.4368 -0.4368 9.8193 9.8193 9.8193 9.8193 12.4122 12.4122 12.4122 12.4122 k = 0.2230 0.1287 0.1396 ( 1388 PWs) bands (ev): -14.0399 -14.0399 -14.0399 -14.0399 -2.4507 -2.4507 -2.4507 -2.4507 -1.9346 -1.9346 -1.9346 -1.9346 -0.5080 -0.5080 -0.5080 -0.5080 9.9063 9.9063 9.9063 9.9063 12.2471 12.2471 12.2471 12.2471 k = 0.2297 0.1326 0.1396 ( 1388 PWs) bands (ev): -13.9689 -13.9689 -13.9689 -13.9689 -2.6250 -2.6250 -2.6250 -2.6250 -1.8515 -1.8515 -1.8515 -1.8515 -0.5784 -0.5784 -0.5784 -0.5784 9.9952 9.9952 9.9952 9.9952 12.0744 12.0744 12.0744 12.0744 k = 0.2365 0.1365 0.1396 ( 1388 PWs) bands (ev): -13.8958 -13.8958 -13.8958 -13.8958 -2.8005 -2.8005 -2.8005 -2.8005 -1.7662 -1.7662 -1.7662 -1.7662 -0.6481 -0.6481 -0.6481 -0.6481 10.0858 10.0858 10.0858 10.0858 11.8999 11.8999 11.8999 11.8999 k = 0.2432 0.1404 0.1396 ( 1386 PWs) bands (ev): -13.8207 -13.8207 -13.8207 -13.8207 -2.9768 -2.9768 -2.9768 -2.9768 -1.6787 -1.6787 -1.6787 -1.6787 -0.7170 -0.7170 -0.7170 -0.7170 10.1776 10.1776 10.1776 10.1776 11.7249 11.7249 11.7249 11.7249 k = 0.2500 0.1443 0.1396 ( 1386 PWs) bands (ev): -13.7435 -13.7435 -13.7435 -13.7435 -3.1538 -3.1538 -3.1538 -3.1538 -1.5891 -1.5891 -1.5891 -1.5891 -0.7849 -0.7849 -0.7849 -0.7849 10.2696 10.2696 10.2696 10.2696 11.5505 11.5505 11.5505 11.5505 k = 0.2568 0.1482 0.1396 ( 1386 PWs) bands (ev): -13.6644 -13.6644 -13.6644 -13.6644 -3.3315 -3.3315 -3.3315 -3.3315 -1.4973 -1.4973 -1.4973 -1.4973 -0.8518 -0.8518 -0.8518 -0.8518 10.3598 10.3598 10.3598 10.3598 11.3790 11.3790 11.3790 11.3790 k = 0.2635 0.1521 0.1396 ( 1390 PWs) bands (ev): -13.5832 -13.5832 -13.5832 -13.5832 -3.5096 -3.5096 -3.5096 -3.5096 -1.4035 -1.4035 -1.4035 -1.4035 -0.9176 -0.9176 -0.9176 -0.9176 10.4435 10.4435 10.4435 10.4435 11.2151 11.2151 11.2151 11.2151 k = 0.2703 0.1560 0.1396 ( 1390 PWs) bands (ev): -13.4999 -13.4999 -13.4999 -13.4999 -3.6882 -3.6882 -3.6882 -3.6882 -1.3075 -1.3075 -1.3075 -1.3075 -0.9823 -0.9823 -0.9823 -0.9823 10.5083 10.5083 10.5083 10.5083 11.0716 11.0716 11.0716 11.0716 k = 0.2770 0.1599 0.1396 ( 1390 PWs) bands (ev): -13.4148 -13.4148 -13.4148 -13.4148 -3.8669 -3.8669 -3.8669 -3.8669 -1.2097 -1.2097 -1.2097 -1.2097 -1.0456 -1.0456 -1.0456 -1.0456 10.5217 10.5217 10.5217 10.5217 10.9809 10.9809 10.9809 10.9809 k = 0.2838 0.1638 0.1396 ( 1394 PWs) bands (ev): -13.3276 -13.3276 -13.3276 -13.3276 -4.0459 -4.0459 -4.0459 -4.0459 -1.1103 -1.1103 -1.1103 -1.1103 -1.1072 -1.1072 -1.1072 -1.1072 10.4481 10.4481 10.4481 10.4481 10.9787 10.9787 10.9787 10.9787 k = 0.2905 0.1677 0.1396 ( 1386 PWs) bands (ev): -13.2384 -13.2384 -13.2384 -13.2384 -4.2247 -4.2247 -4.2247 -4.2247 -1.1682 -1.1682 -1.1682 -1.1682 -1.0081 -1.0081 -1.0081 -1.0081 10.3109 10.3109 10.3109 10.3109 11.0418 11.0418 11.0418 11.0418 k = 0.2973 0.1716 0.1396 ( 1388 PWs) bands (ev): -13.1473 -13.1473 -13.1473 -13.1473 -4.4034 -4.4034 -4.4034 -4.4034 -1.2274 -1.2274 -1.2274 -1.2274 -0.9046 -0.9046 -0.9046 -0.9046 10.1468 10.1468 10.1468 10.1468 11.1333 11.1333 11.1333 11.1333 k = 0.3041 0.1755 0.1396 ( 1386 PWs) bands (ev): -13.0542 -13.0542 -13.0542 -13.0542 -4.5820 -4.5820 -4.5820 -4.5820 -1.2851 -1.2851 -1.2851 -1.2851 -0.7993 -0.7993 -0.7993 -0.7993 9.9718 9.9718 9.9718 9.9718 11.2371 11.2371 11.2371 11.2371 k = 0.3108 0.1794 0.1396 ( 1390 PWs) bands (ev): -12.9592 -12.9592 -12.9592 -12.9592 -4.7602 -4.7602 -4.7602 -4.7602 -1.3414 -1.3414 -1.3414 -1.3414 -0.6923 -0.6923 -0.6923 -0.6923 9.7918 9.7918 9.7918 9.7918 11.3469 11.3469 11.3469 11.3469 k = 0.3176 0.1833 0.1396 ( 1394 PWs) bands (ev): -12.8623 -12.8623 -12.8623 -12.8623 -4.9381 -4.9381 -4.9381 -4.9381 -1.3959 -1.3959 -1.3959 -1.3959 -0.5838 -0.5838 -0.5838 -0.5838 9.6094 9.6094 9.6094 9.6094 11.4592 11.4592 11.4592 11.4592 k = 0.3243 0.1872 0.1396 ( 1394 PWs) bands (ev): -12.7635 -12.7635 -12.7635 -12.7635 -5.1154 -5.1154 -5.1154 -5.1154 -1.4489 -1.4489 -1.4489 -1.4489 -0.4737 -0.4737 -0.4737 -0.4737 9.4259 9.4259 9.4259 9.4259 11.5705 11.5705 11.5705 11.5705 k = 0.3311 0.1911 0.1396 ( 1398 PWs) bands (ev): -12.6628 -12.6628 -12.6628 -12.6628 -5.2922 -5.2922 -5.2922 -5.2922 -1.5002 -1.5002 -1.5002 -1.5002 -0.3623 -0.3623 -0.3623 -0.3623 9.2420 9.2420 9.2420 9.2420 11.6755 11.6755 11.6755 11.6755 k = 0.3378 0.1951 0.1396 ( 1398 PWs) bands (ev): -12.5602 -12.5602 -12.5602 -12.5602 -5.4683 -5.4683 -5.4683 -5.4683 -1.5497 -1.5497 -1.5497 -1.5497 -0.2496 -0.2496 -0.2496 -0.2496 9.0584 9.0584 9.0584 9.0584 11.7636 11.7636 11.7636 11.7636 k = 0.3446 0.1990 0.1396 ( 1398 PWs) bands (ev): -12.4558 -12.4558 -12.4558 -12.4558 -5.6436 -5.6436 -5.6436 -5.6436 -1.5975 -1.5975 -1.5975 -1.5975 -0.1358 -0.1358 -0.1358 -0.1358 8.8754 8.8754 8.8754 8.8754 11.8209 11.8209 11.8209 11.8209 k = 0.3514 0.2029 0.1396 ( 1398 PWs) bands (ev): -12.3496 -12.3496 -12.3496 -12.3496 -5.8181 -5.8181 -5.8181 -5.8181 -1.6434 -1.6434 -1.6434 -1.6434 -0.0210 -0.0210 -0.0210 -0.0210 8.6934 8.6934 8.6934 8.6934 11.8454 11.8454 11.8454 11.8454 k = 0.3581 0.2068 0.1396 ( 1398 PWs) bands (ev): -12.2416 -12.2416 -12.2416 -12.2416 -5.9917 -5.9917 -5.9917 -5.9917 -1.6875 -1.6875 -1.6875 -1.6875 0.0946 0.0946 0.0946 0.0946 8.5128 8.5128 8.5128 8.5128 11.8489 11.8489 11.8489 11.8489 k = 0.3649 0.2107 0.1396 ( 1406 PWs) bands (ev): -12.1318 -12.1318 -12.1318 -12.1318 -6.1644 -6.1644 -6.1644 -6.1644 -1.7299 -1.7299 -1.7299 -1.7299 0.2109 0.2109 0.2109 0.2109 8.3338 8.3338 8.3338 8.3338 11.8423 11.8423 11.8423 11.8423 k = 0.3716 0.2146 0.1396 ( 1406 PWs) bands (ev): -12.0204 -12.0204 -12.0204 -12.0204 -6.3359 -6.3359 -6.3359 -6.3359 -1.7702 -1.7702 -1.7702 -1.7702 0.3276 0.3276 0.3276 0.3276 8.1570 8.1570 8.1570 8.1570 11.8311 11.8311 11.8311 11.8311 k = 0.3784 0.2185 0.1396 ( 1406 PWs) bands (ev): -11.9073 -11.9073 -11.9073 -11.9073 -6.5063 -6.5063 -6.5063 -6.5063 -1.8087 -1.8087 -1.8087 -1.8087 0.4444 0.4444 0.4444 0.4444 7.9824 7.9824 7.9824 7.9824 11.8177 11.8177 11.8177 11.8177 k = 0.3851 0.2224 0.1396 ( 1406 PWs) bands (ev): -11.7925 -11.7925 -11.7925 -11.7925 -6.6754 -6.6754 -6.6754 -6.6754 -1.8452 -1.8452 -1.8452 -1.8452 0.5611 0.5611 0.5611 0.5611 7.8108 7.8108 7.8108 7.8108 11.8034 11.8034 11.8034 11.8034 k = 0.3919 0.2263 0.1396 ( 1402 PWs) bands (ev): -11.6762 -11.6762 -11.6762 -11.6762 -6.8431 -6.8431 -6.8431 -6.8431 -1.8797 -1.8797 -1.8797 -1.8797 0.6773 0.6773 0.6773 0.6773 7.6423 7.6423 7.6423 7.6423 11.7889 11.7889 11.7889 11.7889 k = 0.3986 0.2302 0.1396 ( 1402 PWs) bands (ev): -11.5585 -11.5585 -11.5585 -11.5585 -7.0093 -7.0093 -7.0093 -7.0093 -1.9122 -1.9122 -1.9122 -1.9122 0.7927 0.7927 0.7927 0.7927 7.4775 7.4775 7.4775 7.4775 11.7745 11.7745 11.7745 11.7745 k = 0.4054 0.2341 0.1396 ( 1398 PWs) bands (ev): -11.4394 -11.4394 -11.4394 -11.4394 -7.1739 -7.1739 -7.1739 -7.1739 -1.9427 -1.9427 -1.9427 -1.9427 0.9068 0.9068 0.9068 0.9068 7.3168 7.3168 7.3168 7.3168 11.7606 11.7606 11.7606 11.7606 k = 0.4122 0.2380 0.1396 ( 1394 PWs) bands (ev): -11.3190 -11.3190 -11.3190 -11.3190 -7.3367 -7.3367 -7.3367 -7.3367 -1.9711 -1.9711 -1.9711 -1.9711 1.0191 1.0191 1.0191 1.0191 7.1609 7.1609 7.1609 7.1609 11.7474 11.7474 11.7474 11.7474 k = 0.4189 0.2419 0.1396 ( 1392 PWs) bands (ev): -11.1976 -11.1976 -11.1976 -11.1976 -7.4976 -7.4976 -7.4976 -7.4976 -1.9976 -1.9976 -1.9976 -1.9976 1.1291 1.1291 1.1291 1.1291 7.0104 7.0104 7.0104 7.0104 11.7348 11.7348 11.7348 11.7348 k = 0.4257 0.2458 0.1396 ( 1400 PWs) bands (ev): -11.0752 -11.0752 -11.0752 -11.0752 -7.6563 -7.6563 -7.6563 -7.6563 -2.0222 -2.0222 -2.0222 -2.0222 1.2361 1.2361 1.2361 1.2361 6.8659 6.8659 6.8659 6.8659 11.7230 11.7230 11.7230 11.7230 k = 0.4324 0.2497 0.1396 ( 1404 PWs) bands (ev): -10.9523 -10.9523 -10.9523 -10.9523 -7.8127 -7.8127 -7.8127 -7.8127 -2.0445 -2.0445 -2.0445 -2.0445 1.3393 1.3393 1.3393 1.3393 6.7283 6.7283 6.7283 6.7283 11.7121 11.7121 11.7121 11.7121 k = 0.4392 0.2536 0.1396 ( 1398 PWs) bands (ev): -10.8291 -10.8291 -10.8291 -10.8291 -7.9661 -7.9661 -7.9661 -7.9661 -2.0647 -2.0647 -2.0647 -2.0647 1.4378 1.4378 1.4378 1.4378 6.5984 6.5984 6.5984 6.5984 11.7021 11.7021 11.7021 11.7021 k = 0.4459 0.2575 0.1396 ( 1398 PWs) bands (ev): -10.7061 -10.7061 -10.7061 -10.7061 -8.1161 -8.1161 -8.1161 -8.1161 -2.0828 -2.0828 -2.0828 -2.0828 1.5307 1.5307 1.5307 1.5307 6.4774 6.4774 6.4774 6.4774 11.6931 11.6931 11.6931 11.6931 k = 0.4527 0.2614 0.1396 ( 1398 PWs) bands (ev): -10.5842 -10.5842 -10.5842 -10.5842 -8.2620 -8.2620 -8.2620 -8.2620 -2.0988 -2.0988 -2.0988 -2.0988 1.6169 1.6169 1.6169 1.6169 6.3664 6.3664 6.3664 6.3664 11.6852 11.6852 11.6852 11.6852 k = 0.4595 0.2653 0.1396 ( 1398 PWs) bands (ev): -10.4643 -10.4643 -10.4643 -10.4643 -8.4026 -8.4026 -8.4026 -8.4026 -2.1127 -2.1127 -2.1127 -2.1127 1.6953 1.6953 1.6953 1.6953 6.2664 6.2664 6.2664 6.2664 11.6782 11.6782 11.6782 11.6782 k = 0.4662 0.2692 0.1396 ( 1398 PWs) bands (ev): -10.3483 -10.3483 -10.3483 -10.3483 -8.5362 -8.5362 -8.5362 -8.5362 -2.1245 -2.1245 -2.1245 -2.1245 1.7646 1.7646 1.7646 1.7646 6.1789 6.1789 6.1789 6.1789 11.6723 11.6723 11.6723 11.6723 k = 0.4730 0.2731 0.1396 ( 1402 PWs) bands (ev): -10.2386 -10.2386 -10.2386 -10.2386 -8.6603 -8.6603 -8.6603 -8.6603 -2.1342 -2.1342 -2.1342 -2.1342 1.8234 1.8234 1.8234 1.8234 6.1049 6.1049 6.1049 6.1049 11.6674 11.6674 11.6674 11.6674 k = 0.4797 0.2770 0.1396 ( 1398 PWs) bands (ev): -10.1395 -10.1395 -10.1395 -10.1395 -8.7705 -8.7705 -8.7705 -8.7705 -2.1417 -2.1417 -2.1417 -2.1417 1.8709 1.8709 1.8709 1.8709 6.0460 6.0460 6.0460 6.0460 11.6636 11.6636 11.6636 11.6636 k = 0.4865 0.2809 0.1396 ( 1398 PWs) bands (ev): -10.0576 -10.0576 -10.0576 -10.0576 -8.8604 -8.8604 -8.8604 -8.8604 -2.1470 -2.1470 -2.1470 -2.1470 1.9056 1.9056 1.9056 1.9056 6.0029 6.0029 6.0029 6.0029 11.6609 11.6609 11.6609 11.6609 k = 0.4932 0.2848 0.1396 ( 1400 PWs) bands (ev): -10.0019 -10.0019 -10.0019 -10.0019 -8.9209 -8.9209 -8.9209 -8.9209 -2.1502 -2.1502 -2.1502 -2.1502 1.9267 1.9267 1.9267 1.9267 5.9767 5.9767 5.9767 5.9767 11.6593 11.6593 11.6593 11.6593 k = 0.5000 0.2887 0.1396 ( 1400 PWs) bands (ev): -9.9819 -9.9819 -9.9819 -9.9819 -8.9425 -8.9425 -8.9425 -8.9425 -2.1513 -2.1513 -2.1513 -2.1513 1.9339 1.9339 1.9339 1.9339 5.9679 5.9679 5.9679 5.9679 11.6587 11.6587 11.6587 11.6587 k = 0.5000 0.2887 0.1396 ( 1400 PWs) bands (ev): -9.9819 -9.9819 -9.9819 -9.9819 -8.9425 -8.9425 -8.9425 -8.9425 -2.1513 -2.1513 -2.1513 -2.1513 1.9339 1.9339 1.9339 1.9339 5.9679 5.9679 5.9679 5.9679 11.6587 11.6587 11.6587 11.6587 k = 0.4961 0.2954 0.1396 ( 1396 PWs) bands (ev): -9.9810 -9.9810 -9.9810 -9.9810 -8.9416 -8.9416 -8.9416 -8.9416 -2.1561 -2.1561 -2.1561 -2.1561 1.9352 1.9352 1.9352 1.9352 5.9676 5.9676 5.9676 5.9676 11.6652 11.6652 11.6652 11.6652 k = 0.4922 0.3021 0.1396 ( 1396 PWs) bands (ev): -9.9783 -9.9783 -9.9783 -9.9783 -8.9389 -8.9389 -8.9389 -8.9389 -2.1704 -2.1704 -2.1704 -2.1704 1.9391 1.9391 1.9391 1.9391 5.9667 5.9667 5.9667 5.9667 11.6846 11.6846 11.6846 11.6846 k = 0.4884 0.3088 0.1396 ( 1400 PWs) bands (ev): -9.9737 -9.9737 -9.9737 -9.9737 -8.9345 -8.9345 -8.9345 -8.9345 -2.1943 -2.1943 -2.1943 -2.1943 1.9455 1.9455 1.9455 1.9455 5.9652 5.9652 5.9652 5.9652 11.7168 11.7168 11.7168 11.7168 k = 0.4845 0.3155 0.1396 ( 1400 PWs) bands (ev): -9.9674 -9.9674 -9.9674 -9.9674 -8.9282 -8.9282 -8.9282 -8.9282 -2.2275 -2.2275 -2.2275 -2.2275 1.9546 1.9546 1.9546 1.9546 5.9630 5.9630 5.9630 5.9630 11.7617 11.7617 11.7617 11.7617 k = 0.4806 0.3222 0.1396 ( 1396 PWs) bands (ev): -9.9592 -9.9592 -9.9592 -9.9592 -8.9201 -8.9201 -8.9201 -8.9201 -2.2696 -2.2696 -2.2696 -2.2696 1.9663 1.9663 1.9663 1.9663 5.9602 5.9602 5.9602 5.9602 11.8192 11.8192 11.8192 11.8192 k = 0.4767 0.3290 0.1396 ( 1392 PWs) bands (ev): -9.9492 -9.9492 -9.9492 -9.9492 -8.9102 -8.9102 -8.9102 -8.9102 -2.3208 -2.3208 -2.3208 -2.3208 1.9805 1.9805 1.9805 1.9805 5.9566 5.9566 5.9566 5.9566 11.8887 11.8887 11.8887 11.8887 k = 0.4729 0.3357 0.1396 ( 1392 PWs) bands (ev): -9.9374 -9.9374 -9.9374 -9.9374 -8.8985 -8.8985 -8.8985 -8.8985 -2.3805 -2.3805 -2.3805 -2.3805 1.9973 1.9973 1.9973 1.9973 5.9522 5.9522 5.9522 5.9522 11.9701 11.9701 11.9701 11.9701 k = 0.4690 0.3424 0.1396 ( 1396 PWs) bands (ev): -9.9238 -9.9238 -9.9238 -9.9238 -8.8852 -8.8852 -8.8852 -8.8852 -2.4484 -2.4484 -2.4484 -2.4484 2.0167 2.0167 2.0167 2.0167 5.9469 5.9469 5.9469 5.9469 12.0629 12.0629 12.0629 12.0629 k = 0.4651 0.3491 0.1396 ( 1400 PWs) bands (ev): -9.9083 -9.9083 -9.9083 -9.9083 -8.8701 -8.8701 -8.8701 -8.8701 -2.5242 -2.5242 -2.5242 -2.5242 2.0386 2.0386 2.0386 2.0386 5.9407 5.9407 5.9407 5.9407 12.1667 12.1667 12.1667 12.1667 k = 0.4612 0.3558 0.1396 ( 1400 PWs) bands (ev): -9.8911 -9.8911 -9.8911 -9.8911 -8.8532 -8.8532 -8.8532 -8.8532 -2.6074 -2.6074 -2.6074 -2.6074 2.0632 2.0632 2.0632 2.0632 5.9336 5.9336 5.9336 5.9336 12.2812 12.2812 12.2812 12.2812 k = 0.4574 0.3625 0.1396 ( 1396 PWs) bands (ev): -9.8720 -9.8720 -9.8720 -9.8720 -8.8346 -8.8346 -8.8346 -8.8346 -2.6975 -2.6975 -2.6975 -2.6975 2.0903 2.0903 2.0903 2.0903 5.9253 5.9253 5.9253 5.9253 12.4058 12.4058 12.4058 12.4058 k = 0.4535 0.3692 0.1396 ( 1396 PWs) bands (ev): -9.8511 -9.8511 -9.8511 -9.8511 -8.8144 -8.8144 -8.8144 -8.8144 -2.7943 -2.7943 -2.7943 -2.7943 2.1201 2.1201 2.1201 2.1201 5.9158 5.9158 5.9158 5.9158 12.5400 12.5400 12.5400 12.5400 k = 0.4496 0.3759 0.1396 ( 1404 PWs) bands (ev): -9.8284 -9.8284 -9.8284 -9.8284 -8.7925 -8.7925 -8.7925 -8.7925 -2.8975 -2.8975 -2.8975 -2.8975 2.1523 2.1523 2.1523 2.1523 5.9050 5.9050 5.9050 5.9050 12.6833 12.6833 12.6833 12.6833 k = 0.4457 0.3827 0.1396 ( 1402 PWs) bands (ev): -9.8038 -9.8038 -9.8038 -9.8038 -8.7690 -8.7690 -8.7690 -8.7690 -3.0061 -3.0061 -3.0061 -3.0061 2.1872 2.1872 2.1872 2.1872 5.8927 5.8927 5.8927 5.8927 12.8353 12.8353 12.8353 12.8353 k = 0.4419 0.3894 0.1396 ( 1402 PWs) bands (ev): -9.7775 -9.7775 -9.7775 -9.7775 -8.7439 -8.7439 -8.7439 -8.7439 -3.1200 -3.1200 -3.1200 -3.1200 2.2246 2.2246 2.2246 2.2246 5.8788 5.8788 5.8788 5.8788 12.9952 12.9952 12.9952 12.9952 k = 0.4380 0.3961 0.1396 ( 1406 PWs) bands (ev): -9.7493 -9.7493 -9.7493 -9.7493 -8.7173 -8.7173 -8.7173 -8.7173 -3.2386 -3.2386 -3.2386 -3.2386 2.2645 2.2645 2.2645 2.2645 5.8632 5.8632 5.8632 5.8632 13.1627 13.1627 13.1627 13.1627 k = 0.4341 0.4028 0.1396 ( 1410 PWs) bands (ev): -9.7194 -9.7194 -9.7194 -9.7194 -8.6892 -8.6892 -8.6892 -8.6892 -3.3617 -3.3617 -3.3617 -3.3617 2.3071 2.3071 2.3071 2.3071 5.8458 5.8458 5.8458 5.8458 13.3371 13.3371 13.3371 13.3371 k = 0.4302 0.4095 0.1396 ( 1410 PWs) bands (ev): -9.6876 -9.6876 -9.6876 -9.6876 -8.6596 -8.6596 -8.6596 -8.6596 -3.4885 -3.4885 -3.4885 -3.4885 2.3522 2.3522 2.3522 2.3522 5.8264 5.8264 5.8264 5.8264 13.5178 13.5178 13.5178 13.5178 k = 0.4264 0.4162 0.1396 ( 1410 PWs) bands (ev): -9.6540 -9.6540 -9.6540 -9.6540 -8.6287 -8.6287 -8.6287 -8.6287 -3.6188 -3.6188 -3.6188 -3.6188 2.3999 2.3999 2.3999 2.3999 5.8047 5.8047 5.8047 5.8047 13.7042 13.7042 13.7042 13.7042 k = 0.4225 0.4229 0.1396 ( 1406 PWs) bands (ev): -9.6186 -9.6186 -9.6186 -9.6186 -8.5965 -8.5965 -8.5965 -8.5965 -3.7521 -3.7521 -3.7521 -3.7521 2.4501 2.4501 2.4501 2.4501 5.7808 5.7808 5.7808 5.7808 13.8959 13.8959 13.8959 13.8959 k = 0.4186 0.4297 0.1396 ( 1406 PWs) bands (ev): -9.5814 -9.5814 -9.5814 -9.5814 -8.5631 -8.5631 -8.5631 -8.5631 -3.8881 -3.8881 -3.8881 -3.8881 2.5028 2.5028 2.5028 2.5028 5.7544 5.7544 5.7544 5.7544 14.0917 14.0917 14.0917 14.0917 k = 0.4147 0.4364 0.1396 ( 1402 PWs) bands (ev): -9.5423 -9.5423 -9.5423 -9.5423 -8.5285 -8.5285 -8.5285 -8.5285 -4.0261 -4.0261 -4.0261 -4.0261 2.5581 2.5581 2.5581 2.5581 5.7252 5.7252 5.7252 5.7252 14.2910 14.2910 14.2911 14.2911 k = 0.4109 0.4431 0.1396 ( 1400 PWs) bands (ev): -9.5015 -9.5015 -9.5015 -9.5015 -8.4931 -8.4931 -8.4931 -8.4931 -4.1660 -4.1660 -4.1660 -4.1660 2.6159 2.6159 2.6159 2.6159 5.6934 5.6934 5.6934 5.6934 14.4926 14.4926 14.4927 14.4927 k = 0.4070 0.4498 0.1396 ( 1396 PWs) bands (ev): -9.4588 -9.4588 -9.4588 -9.4588 -8.4568 -8.4568 -8.4568 -8.4568 -4.3071 -4.3071 -4.3071 -4.3071 2.6762 2.6762 2.6762 2.6762 5.6584 5.6584 5.6584 5.6584 14.6946 14.6946 14.6948 14.6948 k = 0.4031 0.4565 0.1396 ( 1396 PWs) bands (ev): -9.4144 -9.4144 -9.4144 -9.4144 -8.4199 -8.4199 -8.4199 -8.4199 -4.4491 -4.4491 -4.4491 -4.4491 2.7390 2.7390 2.7390 2.7390 5.6203 5.6203 5.6203 5.6203 14.8921 14.8921 14.8925 14.8925 k = 0.3992 0.4632 0.1396 ( 1392 PWs) bands (ev): -9.3681 -9.3681 -9.3681 -9.3681 -8.3825 -8.3825 -8.3825 -8.3825 -4.5914 -4.5914 -4.5914 -4.5914 2.8044 2.8044 2.8044 2.8044 5.5789 5.5789 5.5789 5.5789 15.0648 15.0648 15.0657 15.0657 k = 0.3953 0.4699 0.1396 ( 1396 PWs) bands (ev): -9.3201 -9.3201 -9.3201 -9.3201 -8.3451 -8.3451 -8.3451 -8.3451 -4.7337 -4.7337 -4.7337 -4.7337 2.8723 2.8723 2.8723 2.8723 5.5338 5.5338 5.5338 5.5338 15.1393 15.1393 15.1403 15.1403 k = 0.3915 0.4766 0.1396 ( 1396 PWs) bands (ev): -9.2702 -9.2702 -9.2702 -9.2702 -8.3077 -8.3077 -8.3077 -8.3077 -4.8753 -4.8753 -4.8753 -4.8753 2.9426 2.9426 2.9426 2.9426 5.4853 5.4853 5.4853 5.4853 15.1256 15.1256 15.1263 15.1263 k = 0.3876 0.4834 0.1396 ( 1396 PWs) bands (ev): -9.2186 -9.2186 -9.2186 -9.2186 -8.2709 -8.2709 -8.2709 -8.2709 -5.0157 -5.0157 -5.0157 -5.0157 3.0154 3.0154 3.0154 3.0154 5.4332 5.4332 5.4332 5.4332 15.0909 15.0909 15.0914 15.0914 k = 0.3837 0.4901 0.1396 ( 1390 PWs) bands (ev): -9.1651 -9.1651 -9.1651 -9.1651 -8.2351 -8.2351 -8.2351 -8.2351 -5.1542 -5.1542 -5.1542 -5.1542 3.0907 3.0907 3.0907 3.0907 5.3772 5.3772 5.3772 5.3772 15.0513 15.0513 15.0517 15.0517 k = 0.3798 0.4968 0.1396 ( 1386 PWs) bands (ev): -9.1099 -9.1099 -9.1099 -9.1099 -8.2008 -8.2008 -8.2008 -8.2008 -5.2900 -5.2900 -5.2900 -5.2900 3.1686 3.1686 3.1686 3.1686 5.3173 5.3173 5.3173 5.3173 15.0107 15.0107 15.0111 15.0111 k = 0.3760 0.5035 0.1396 ( 1386 PWs) bands (ev): -9.0529 -9.0529 -9.0529 -9.0529 -8.1688 -8.1688 -8.1688 -8.1688 -5.4223 -5.4223 -5.4223 -5.4223 3.2488 3.2488 3.2488 3.2488 5.2534 5.2534 5.2534 5.2534 14.9710 14.9710 14.9713 14.9713 k = 0.3721 0.5102 0.1396 ( 1384 PWs) bands (ev): -8.9941 -8.9941 -8.9941 -8.9941 -8.1400 -8.1400 -8.1400 -8.1400 -5.5502 -5.5502 -5.5502 -5.5502 3.3314 3.3314 3.3314 3.3314 5.1855 5.1855 5.1855 5.1855 14.9330 14.9330 14.9333 14.9333 k = 0.3682 0.5169 0.1396 ( 1388 PWs) bands (ev): -8.9335 -8.9335 -8.9335 -8.9335 -8.1153 -8.1153 -8.1153 -8.1153 -5.6724 -5.6724 -5.6724 -5.6724 3.4165 3.4165 3.4165 3.4165 5.1134 5.1134 5.1134 5.1134 14.8975 14.8975 14.8978 14.8978 k = 0.3643 0.5236 0.1396 ( 1390 PWs) bands (ev): -8.8711 -8.8711 -8.8711 -8.8711 -8.0960 -8.0960 -8.0960 -8.0960 -5.7875 -5.7875 -5.7875 -5.7875 3.5041 3.5041 3.5041 3.5041 5.0374 5.0374 5.0374 5.0374 14.8650 14.8650 14.8653 14.8653 k = 0.3605 0.5304 0.1396 ( 1394 PWs) bands (ev): -8.8069 -8.8069 -8.8069 -8.8069 -8.0836 -8.0836 -8.0836 -8.0836 -5.8939 -5.8939 -5.8939 -5.8939 3.5940 3.5940 3.5940 3.5940 4.9574 4.9574 4.9574 4.9574 14.8360 14.8360 14.8362 14.8362 k = 0.3566 0.5371 0.1396 ( 1394 PWs) bands (ev): -8.7410 -8.7410 -8.7410 -8.7410 -8.0796 -8.0796 -8.0796 -8.0796 -5.9899 -5.9899 -5.9899 -5.9899 3.6863 3.6863 3.6863 3.6863 4.8733 4.8733 4.8733 4.8733 14.8107 14.8107 14.8109 14.8109 k = 0.3527 0.5438 0.1396 ( 1398 PWs) bands (ev): -8.6733 -8.6733 -8.6733 -8.6733 -8.0857 -8.0857 -8.0857 -8.0857 -6.0739 -6.0739 -6.0739 -6.0739 3.7810 3.7810 3.7810 3.7810 4.7853 4.7853 4.7854 4.7854 14.7893 14.7893 14.7896 14.7896 k = 0.3488 0.5505 0.1396 ( 1404 PWs) bands (ev): -8.6038 -8.6038 -8.6038 -8.6038 -8.1036 -8.1036 -8.1036 -8.1036 -6.1441 -6.1441 -6.1441 -6.1441 3.8781 3.8781 3.8781 3.8781 4.6935 4.6935 4.6935 4.6935 14.7721 14.7721 14.7723 14.7723 k = 0.3450 0.5572 0.1396 ( 1400 PWs) bands (ev): -8.5324 -8.5324 -8.5324 -8.5324 -8.1343 -8.1343 -8.1343 -8.1343 -6.1991 -6.1991 -6.1991 -6.1991 3.9777 3.9777 3.9777 3.9777 4.5979 4.5979 4.5979 4.5979 14.7589 14.7589 14.7591 14.7591 k = 0.3411 0.5639 0.1396 ( 1400 PWs) bands (ev): -8.4594 -8.4594 -8.4594 -8.4594 -8.1787 -8.1787 -8.1787 -8.1787 -6.2381 -6.2381 -6.2381 -6.2381 4.0795 4.0795 4.0795 4.0795 4.4987 4.4987 4.4987 4.4987 14.7498 14.7498 14.7500 14.7500 k = 0.3372 0.5706 0.1396 ( 1392 PWs) bands (ev): -8.3846 -8.3846 -8.3846 -8.3846 -8.2368 -8.2368 -8.2368 -8.2368 -6.2609 -6.2609 -6.2609 -6.2609 4.1836 4.1836 4.1836 4.1836 4.3961 4.3961 4.3961 4.3961 14.7445 14.7445 14.7447 14.7447 k = 0.3333 0.5774 0.1396 ( 1392 PWs) bands (ev): -8.3092 -8.3092 -8.3090 -8.3090 -8.3072 -8.3072 -8.3070 -8.3070 -6.2684 -6.2684 -6.2684 -6.2684 4.2896 4.2896 4.2896 4.2896 4.2906 4.2906 4.2906 4.2906 14.7428 14.7428 14.7431 14.7431 k = 0.3333 0.5774 0.1396 ( 1392 PWs) bands (ev): -8.3092 -8.3092 -8.3090 -8.3090 -8.3072 -8.3072 -8.3070 -8.3070 -6.2684 -6.2684 -6.2684 -6.2684 4.2896 4.2896 4.2896 4.2896 4.2906 4.2906 4.2906 4.2906 14.7428 14.7428 14.7431 14.7431 k = 0.3294 0.5706 0.1396 ( 1392 PWs) bands (ev): -8.3923 -8.3923 -8.3923 -8.3923 -8.2288 -8.2288 -8.2288 -8.2288 -6.2612 -6.2612 -6.2612 -6.2612 4.1796 4.1796 4.1796 4.1796 4.4002 4.4002 4.4002 4.4002 14.7444 14.7444 14.7446 14.7446 k = 0.3255 0.5638 0.1396 ( 1398 PWs) bands (ev): -8.4872 -8.4872 -8.4872 -8.4872 -8.1478 -8.1478 -8.1478 -8.1478 -6.2408 -6.2408 -6.2408 -6.2408 4.0661 4.0661 4.0661 4.0661 4.5125 4.5125 4.5125 4.5125 14.7487 14.7487 14.7489 14.7489 k = 0.3216 0.5570 0.1396 ( 1398 PWs) bands (ev): -8.5911 -8.5911 -8.5911 -8.5911 -8.0650 -8.0650 -8.0650 -8.0650 -6.2088 -6.2088 -6.2088 -6.2088 3.9497 3.9497 3.9497 3.9497 4.6272 4.6272 4.6272 4.6272 14.7550 14.7550 14.7552 14.7552 k = 0.3176 0.5502 0.1396 ( 1402 PWs) bands (ev): -8.7023 -8.7023 -8.7023 -8.7023 -7.9804 -7.9804 -7.9804 -7.9804 -6.1666 -6.1666 -6.1666 -6.1666 3.8306 3.8306 3.8306 3.8306 4.7442 4.7442 4.7442 4.7442 14.7624 14.7624 14.7627 14.7627 k = 0.3137 0.5434 0.1396 ( 1398 PWs) bands (ev): -8.8195 -8.8195 -8.8195 -8.8195 -7.8941 -7.8941 -7.8941 -7.8941 -6.1157 -6.1157 -6.1157 -6.1157 3.7091 3.7091 3.7091 3.7091 4.8635 4.8635 4.8635 4.8635 14.7699 14.7699 14.7702 14.7702 k = 0.3098 0.5366 0.1396 ( 1398 PWs) bands (ev): -8.9414 -8.9414 -8.9414 -8.9414 -7.8060 -7.8060 -7.8060 -7.8060 -6.0574 -6.0574 -6.0574 -6.0574 3.5853 3.5853 3.5853 3.5853 4.9850 4.9850 4.9850 4.9850 14.7761 14.7761 14.7764 14.7764 k = 0.3059 0.5298 0.1396 ( 1394 PWs) bands (ev): -9.0670 -9.0670 -9.0670 -9.0670 -7.7161 -7.7161 -7.7161 -7.7161 -5.9926 -5.9926 -5.9926 -5.9926 3.4595 3.4595 3.4595 3.4595 5.1089 5.1089 5.1089 5.1089 14.7795 14.7795 14.7797 14.7797 k = 0.3020 0.5230 0.1396 ( 1398 PWs) bands (ev): -9.1952 -9.1952 -9.1952 -9.1952 -7.6244 -7.6244 -7.6244 -7.6244 -5.9222 -5.9222 -5.9222 -5.9222 3.3319 3.3319 3.3319 3.3319 5.2348 5.2348 5.2348 5.2348 14.7780 14.7780 14.7783 14.7783 k = 0.2980 0.5162 0.1396 ( 1398 PWs) bands (ev): -9.3255 -9.3255 -9.3255 -9.3255 -7.5311 -7.5311 -7.5311 -7.5311 -5.8470 -5.8470 -5.8470 -5.8470 3.2026 3.2026 3.2026 3.2026 5.3630 5.3630 5.3630 5.3630 14.7698 14.7698 14.7700 14.7700 k = 0.2941 0.5094 0.1396 ( 1390 PWs) bands (ev): -9.4572 -9.4572 -9.4572 -9.4572 -7.4358 -7.4358 -7.4358 -7.4358 -5.7672 -5.7672 -5.7672 -5.7672 3.0719 3.0719 3.0719 3.0719 5.4934 5.4934 5.4934 5.4934 14.7526 14.7526 14.7528 14.7528 k = 0.2902 0.5026 0.1396 ( 1388 PWs) bands (ev): -9.5900 -9.5900 -9.5900 -9.5900 -7.3390 -7.3390 -7.3390 -7.3390 -5.6838 -5.6838 -5.6838 -5.6838 2.9400 2.9400 2.9400 2.9400 5.6259 5.6259 5.6259 5.6259 14.7243 14.7243 14.7245 14.7245 k = 0.2863 0.4958 0.1396 ( 1380 PWs) bands (ev): -9.7231 -9.7231 -9.7231 -9.7231 -7.2404 -7.2404 -7.2404 -7.2404 -5.5969 -5.5969 -5.5969 -5.5969 2.8070 2.8070 2.8070 2.8070 5.7606 5.7606 5.7606 5.7606 14.6833 14.6833 14.6835 14.6835 k = 0.2824 0.4890 0.1396 ( 1380 PWs) bands (ev): -9.8565 -9.8565 -9.8565 -9.8565 -7.1401 -7.1401 -7.1401 -7.1401 -5.5069 -5.5069 -5.5069 -5.5069 2.6731 2.6731 2.6731 2.6731 5.8972 5.8972 5.8972 5.8972 14.6286 14.6286 14.6288 14.6288 k = 0.2784 0.4823 0.1396 ( 1392 PWs) bands (ev): -9.9899 -9.9899 -9.9899 -9.9899 -7.0381 -7.0381 -7.0381 -7.0381 -5.4141 -5.4141 -5.4141 -5.4141 2.5386 2.5386 2.5386 2.5386 6.0359 6.0359 6.0359 6.0359 14.5598 14.5598 14.5599 14.5599 k = 0.2745 0.4755 0.1396 ( 1392 PWs) bands (ev): -10.1228 -10.1228 -10.1228 -10.1228 -6.9345 -6.9345 -6.9345 -6.9345 -5.3187 -5.3187 -5.3187 -5.3187 2.4035 2.4035 2.4035 2.4035 6.1766 6.1766 6.1766 6.1766 14.4774 14.4774 14.4775 14.4775 k = 0.2706 0.4687 0.1396 ( 1396 PWs) bands (ev): -10.2554 -10.2554 -10.2554 -10.2554 -6.8291 -6.8291 -6.8291 -6.8291 -5.2208 -5.2208 -5.2208 -5.2208 2.2680 2.2680 2.2680 2.2680 6.3192 6.3192 6.3192 6.3192 14.3827 14.3827 14.3828 14.3828 k = 0.2667 0.4619 0.1396 ( 1396 PWs) bands (ev): -10.3872 -10.3872 -10.3872 -10.3872 -6.7221 -6.7221 -6.7221 -6.7221 -5.1207 -5.1207 -5.1207 -5.1207 2.1324 2.1324 2.1324 2.1324 6.4639 6.4639 6.4639 6.4639 14.2771 14.2771 14.2772 14.2772 k = 0.2627 0.4551 0.1396 ( 1392 PWs) bands (ev): -10.5181 -10.5181 -10.5181 -10.5181 -6.6134 -6.6134 -6.6134 -6.6134 -5.0184 -5.0184 -5.0184 -5.0184 1.9968 1.9968 1.9968 1.9968 6.6104 6.6104 6.6104 6.6104 14.1625 14.1625 14.1626 14.1626 k = 0.2588 0.4483 0.1396 ( 1392 PWs) bands (ev): -10.6480 -10.6480 -10.6480 -10.6480 -6.5031 -6.5031 -6.5031 -6.5031 -4.9143 -4.9143 -4.9143 -4.9143 1.8613 1.8613 1.8613 1.8613 6.7587 6.7587 6.7587 6.7587 14.0404 14.0404 14.0404 14.0404 k = 0.2549 0.4415 0.1396 ( 1392 PWs) bands (ev): -10.7769 -10.7769 -10.7769 -10.7769 -6.3912 -6.3912 -6.3912 -6.3912 -4.8084 -4.8084 -4.8084 -4.8084 1.7261 1.7261 1.7261 1.7261 6.9089 6.9089 6.9089 6.9089 13.9123 13.9123 13.9124 13.9124 k = 0.2510 0.4347 0.1396 ( 1396 PWs) bands (ev): -10.9046 -10.9046 -10.9046 -10.9046 -6.2777 -6.2777 -6.2777 -6.2777 -4.7007 -4.7007 -4.7007 -4.7007 1.5913 1.5913 1.5913 1.5913 7.0609 7.0609 7.0609 7.0609 13.7797 13.7797 13.7797 13.7797 k = 0.2471 0.4279 0.1396 ( 1392 PWs) bands (ev): -11.0311 -11.0311 -11.0311 -11.0311 -6.1625 -6.1625 -6.1625 -6.1625 -4.5914 -4.5914 -4.5914 -4.5914 1.4569 1.4569 1.4569 1.4569 7.2146 7.2146 7.2146 7.2146 13.6436 13.6436 13.6436 13.6436 k = 0.2431 0.4211 0.1396 ( 1398 PWs) bands (ev): -11.1563 -11.1563 -11.1563 -11.1563 -6.0458 -6.0458 -6.0458 -6.0458 -4.4806 -4.4806 -4.4806 -4.4806 1.3231 1.3231 1.3231 1.3231 7.3700 7.3700 7.3700 7.3700 13.5050 13.5050 13.5050 13.5050 k = 0.2392 0.4143 0.1396 ( 1398 PWs) bands (ev): -11.2800 -11.2800 -11.2800 -11.2800 -5.9276 -5.9276 -5.9276 -5.9276 -4.3685 -4.3685 -4.3685 -4.3685 1.1902 1.1902 1.1902 1.1902 7.5270 7.5270 7.5270 7.5270 13.3647 13.3647 13.3647 13.3647 k = 0.2353 0.4075 0.1396 ( 1398 PWs) bands (ev): -11.4022 -11.4022 -11.4022 -11.4022 -5.8078 -5.8078 -5.8078 -5.8078 -4.2550 -4.2550 -4.2550 -4.2550 1.0581 1.0581 1.0581 1.0581 7.6857 7.6857 7.6857 7.6857 13.2233 13.2233 13.2233 13.2233 k = 0.2314 0.4007 0.1396 ( 1398 PWs) bands (ev): -11.5229 -11.5229 -11.5229 -11.5229 -5.6865 -5.6865 -5.6865 -5.6865 -4.1403 -4.1403 -4.1403 -4.1403 0.9270 0.9270 0.9270 0.9270 7.8458 7.8458 7.8458 7.8458 13.0815 13.0815 13.0815 13.0815 k = 0.2275 0.3940 0.1396 ( 1402 PWs) bands (ev): -11.6421 -11.6421 -11.6421 -11.6421 -5.5638 -5.5638 -5.5638 -5.5638 -4.0244 -4.0244 -4.0244 -4.0244 0.7968 0.7968 0.7968 0.7968 8.0074 8.0074 8.0074 8.0074 12.9396 12.9396 12.9396 12.9396 k = 0.2235 0.3872 0.1396 ( 1402 PWs) bands (ev): -11.7597 -11.7597 -11.7597 -11.7597 -5.4395 -5.4395 -5.4395 -5.4395 -3.9075 -3.9075 -3.9075 -3.9075 0.6679 0.6679 0.6679 0.6679 8.1704 8.1704 8.1704 8.1704 12.7981 12.7981 12.7981 12.7981 k = 0.2196 0.3804 0.1396 ( 1402 PWs) bands (ev): -11.8756 -11.8756 -11.8756 -11.8756 -5.3138 -5.3138 -5.3138 -5.3138 -3.7897 -3.7897 -3.7897 -3.7897 0.5401 0.5401 0.5401 0.5401 8.3349 8.3349 8.3349 8.3349 12.6572 12.6572 12.6572 12.6572 k = 0.2157 0.3736 0.1396 ( 1406 PWs) bands (ev): -11.9898 -11.9898 -11.9898 -11.9898 -5.1867 -5.1867 -5.1867 -5.1867 -3.6709 -3.6709 -3.6709 -3.6709 0.4137 0.4137 0.4137 0.4137 8.5005 8.5005 8.5005 8.5005 12.5173 12.5173 12.5173 12.5173 k = 0.2118 0.3668 0.1396 ( 1406 PWs) bands (ev): -12.1023 -12.1023 -12.1023 -12.1023 -5.0582 -5.0582 -5.0582 -5.0582 -3.5512 -3.5512 -3.5512 -3.5512 0.2887 0.2887 0.2887 0.2887 8.6674 8.6674 8.6674 8.6674 12.3786 12.3786 12.3786 12.3786 k = 0.2078 0.3600 0.1396 ( 1406 PWs) bands (ev): -12.2130 -12.2130 -12.2130 -12.2130 -4.9284 -4.9284 -4.9284 -4.9284 -3.4309 -3.4309 -3.4309 -3.4309 0.1651 0.1651 0.1651 0.1651 8.8354 8.8354 8.8354 8.8354 12.2411 12.2411 12.2411 12.2411 k = 0.2039 0.3532 0.1396 ( 1402 PWs) bands (ev): -12.3219 -12.3219 -12.3219 -12.3219 -4.7971 -4.7971 -4.7971 -4.7971 -3.3098 -3.3098 -3.3098 -3.3098 0.0430 0.0430 0.0430 0.0430 9.0045 9.0045 9.0045 9.0045 12.1053 12.1053 12.1053 12.1053 k = 0.2000 0.3464 0.1396 ( 1398 PWs) bands (ev): -12.4291 -12.4291 -12.4291 -12.4291 -4.6647 -4.6647 -4.6647 -4.6647 -3.1882 -3.1882 -3.1882 -3.1882 -0.0774 -0.0774 -0.0774 -0.0774 9.1747 9.1747 9.1747 9.1747 11.9710 11.9710 11.9711 11.9711 k = 0.1961 0.3396 0.1396 ( 1400 PWs) bands (ev): -12.5344 -12.5344 -12.5344 -12.5344 -4.5310 -4.5310 -4.5310 -4.5310 -3.0661 -3.0661 -3.0661 -3.0661 -0.1963 -0.1963 -0.1963 -0.1963 9.3457 9.3457 9.3457 9.3457 11.8386 11.8386 11.8386 11.8386 k = 0.1922 0.3328 0.1396 ( 1400 PWs) bands (ev): -12.6379 -12.6379 -12.6379 -12.6379 -4.3961 -4.3961 -4.3961 -4.3961 -2.9435 -2.9435 -2.9435 -2.9435 -0.3134 -0.3134 -0.3134 -0.3134 9.5174 9.5174 9.5174 9.5174 11.7081 11.7081 11.7081 11.7081 k = 0.1882 0.3260 0.1396 ( 1396 PWs) bands (ev): -12.7395 -12.7395 -12.7395 -12.7395 -4.2600 -4.2600 -4.2600 -4.2600 -2.8207 -2.8207 -2.8207 -2.8207 -0.4288 -0.4288 -0.4288 -0.4288 9.6899 9.6899 9.6899 9.6899 11.5796 11.5796 11.5796 11.5796 k = 0.1843 0.3192 0.1396 ( 1400 PWs) bands (ev): -12.8392 -12.8392 -12.8392 -12.8392 -4.1228 -4.1228 -4.1228 -4.1228 -2.6977 -2.6977 -2.6977 -2.6977 -0.5423 -0.5423 -0.5423 -0.5423 9.8629 9.8629 9.8629 9.8629 11.4531 11.4531 11.4531 11.4531 k = 0.1804 0.3124 0.1396 ( 1400 PWs) bands (ev): -12.9370 -12.9370 -12.9370 -12.9370 -3.9846 -3.9846 -3.9846 -3.9846 -2.5745 -2.5745 -2.5745 -2.5745 -0.6540 -0.6540 -0.6540 -0.6540 10.0365 10.0365 10.0365 10.0365 11.3288 11.3288 11.3288 11.3288 k = 0.1765 0.3057 0.1396 ( 1400 PWs) bands (ev): -13.0328 -13.0328 -13.0328 -13.0328 -3.8453 -3.8453 -3.8453 -3.8453 -2.4512 -2.4512 -2.4512 -2.4512 -0.7638 -0.7638 -0.7638 -0.7638 10.2105 10.2105 10.2105 10.2105 11.2067 11.2067 11.2067 11.2067 k = 0.1725 0.2989 0.1396 ( 1404 PWs) bands (ev): -13.1267 -13.1267 -13.1267 -13.1267 -3.7051 -3.7051 -3.7051 -3.7051 -2.3281 -2.3281 -2.3281 -2.3281 -0.8717 -0.8717 -0.8717 -0.8717 10.3848 10.3848 10.3848 10.3848 11.0869 11.0869 11.0869 11.0869 k = 0.1686 0.2921 0.1396 ( 1404 PWs) bands (ev): -13.2187 -13.2187 -13.2187 -13.2187 -3.5640 -3.5640 -3.5640 -3.5640 -2.2050 -2.2050 -2.2050 -2.2050 -0.9775 -0.9775 -0.9775 -0.9775 10.5592 10.5592 10.5592 10.5592 10.9695 10.9695 10.9695 10.9695 k = 0.1647 0.2853 0.1396 ( 1400 PWs) bands (ev): -13.3087 -13.3087 -13.3087 -13.3087 -3.4220 -3.4220 -3.4220 -3.4220 -2.0822 -2.0822 -2.0822 -2.0822 -1.0813 -1.0813 -1.0813 -1.0813 10.7336 10.7336 10.7336 10.7336 10.8545 10.8545 10.8545 10.8545 k = 0.1608 0.2785 0.1396 ( 1400 PWs) bands (ev): -13.3967 -13.3967 -13.3967 -13.3967 -3.2792 -3.2792 -3.2792 -3.2792 -1.9598 -1.9598 -1.9598 -1.9598 -1.1831 -1.1831 -1.1831 -1.1831 10.7415 10.7415 10.7415 10.7415 10.9084 10.9084 10.9084 10.9084 k = 0.1569 0.2717 0.1396 ( 1404 PWs) bands (ev): -13.4827 -13.4827 -13.4827 -13.4827 -3.1358 -3.1358 -3.1358 -3.1358 -1.8378 -1.8378 -1.8378 -1.8378 -1.2828 -1.2828 -1.2828 -1.2828 10.6313 10.6313 10.6313 10.6313 11.0825 11.0825 11.0825 11.0825 k = 0.1529 0.2649 0.1396 ( 1404 PWs) bands (ev): -13.5667 -13.5667 -13.5667 -13.5667 -2.9918 -2.9918 -2.9918 -2.9918 -1.7165 -1.7165 -1.7165 -1.7165 -1.3804 -1.3804 -1.3804 -1.3804 10.5235 10.5235 10.5235 10.5235 11.2564 11.2564 11.2564 11.2564 k = 0.1490 0.2581 0.1396 ( 1400 PWs) bands (ev): -13.6487 -13.6487 -13.6487 -13.6487 -2.8471 -2.8471 -2.8471 -2.8471 -1.5957 -1.5957 -1.5957 -1.5957 -1.4757 -1.4757 -1.4757 -1.4757 10.4183 10.4183 10.4183 10.4183 11.4298 11.4298 11.4298 11.4298 k = 0.1451 0.2513 0.1396 ( 1400 PWs) bands (ev): -13.7286 -13.7286 -13.7286 -13.7286 -2.7021 -2.7021 -2.7021 -2.7021 -1.5690 -1.5690 -1.5690 -1.5690 -1.4758 -1.4758 -1.4758 -1.4758 10.3156 10.3156 10.3156 10.3156 11.6025 11.6025 11.6025 11.6025 k = 0.1412 0.2445 0.1396 ( 1396 PWs) bands (ev): -13.8065 -13.8065 -13.8065 -13.8065 -2.5566 -2.5566 -2.5566 -2.5566 -1.6599 -1.6599 -1.6599 -1.6599 -1.3568 -1.3568 -1.3568 -1.3568 10.2154 10.2154 10.2154 10.2154 11.7744 11.7744 11.7744 11.7744 k = 0.1373 0.2377 0.1396 ( 1392 PWs) bands (ev): -13.8823 -13.8823 -13.8823 -13.8823 -2.4110 -2.4110 -2.4110 -2.4110 -1.7486 -1.7486 -1.7486 -1.7486 -1.2388 -1.2388 -1.2388 -1.2388 10.1179 10.1179 10.1179 10.1179 11.9453 11.9453 11.9453 11.9453 k = 0.1333 0.2309 0.1396 ( 1394 PWs) bands (ev): -13.9561 -13.9561 -13.9561 -13.9561 -2.2653 -2.2653 -2.2653 -2.2653 -1.8350 -1.8350 -1.8350 -1.8350 -1.1221 -1.1221 -1.1221 -1.1221 10.0229 10.0229 10.0229 10.0229 12.1150 12.1150 12.1150 12.1150 k = 0.1294 0.2241 0.1396 ( 1390 PWs) bands (ev): -14.0279 -14.0279 -14.0279 -14.0279 -2.1194 -2.1194 -2.1194 -2.1194 -1.9192 -1.9192 -1.9192 -1.9192 -1.0065 -1.0065 -1.0065 -1.0065 9.9306 9.9306 9.9306 9.9306 12.2835 12.2835 12.2835 12.2835 k = 0.1255 0.2174 0.1396 ( 1388 PWs) bands (ev): -14.0975 -14.0975 -14.0975 -14.0975 -2.0011 -2.0011 -2.0011 -2.0011 -1.9737 -1.9737 -1.9737 -1.9737 -0.8924 -0.8924 -0.8924 -0.8924 9.8410 9.8410 9.8410 9.8410 12.4505 12.4505 12.4505 12.4505 k = 0.1216 0.2106 0.1396 ( 1388 PWs) bands (ev): -14.1651 -14.1651 -14.1651 -14.1651 -2.0806 -2.0806 -2.0806 -2.0806 -1.8284 -1.8284 -1.8284 -1.8284 -0.7799 -0.7799 -0.7799 -0.7799 9.7539 9.7539 9.7539 9.7539 12.6156 12.6156 12.6156 12.6156 k = 0.1176 0.2038 0.1396 ( 1392 PWs) bands (ev): -14.2306 -14.2306 -14.2306 -14.2306 -2.1577 -2.1577 -2.1577 -2.1577 -1.6834 -1.6834 -1.6834 -1.6834 -0.6690 -0.6690 -0.6690 -0.6690 9.6696 9.6696 9.6696 9.6696 12.7787 12.7787 12.7787 12.7787 k = 0.1137 0.1970 0.1396 ( 1392 PWs) bands (ev): -14.2940 -14.2940 -14.2940 -14.2940 -2.2325 -2.2325 -2.2325 -2.2325 -1.5389 -1.5389 -1.5389 -1.5389 -0.5600 -0.5600 -0.5600 -0.5600 9.5880 9.5880 9.5880 9.5880 12.9396 12.9396 12.9396 12.9396 k = 0.1098 0.1902 0.1396 ( 1392 PWs) bands (ev): -14.3553 -14.3553 -14.3553 -14.3553 -2.3049 -2.3049 -2.3049 -2.3049 -1.3953 -1.3953 -1.3953 -1.3953 -0.4529 -0.4529 -0.4529 -0.4529 9.5090 9.5090 9.5090 9.5090 13.0974 13.0975 13.0975 13.0975 k = 0.1059 0.1834 0.1396 ( 1392 PWs) bands (ev): -14.4145 -14.4145 -14.4145 -14.4145 -2.3749 -2.3749 -2.3749 -2.3749 -1.2525 -1.2525 -1.2525 -1.2525 -0.3480 -0.3480 -0.3480 -0.3480 9.4328 9.4328 9.4328 9.4328 13.2115 13.2115 13.2115 13.2115 k = 0.1020 0.1766 0.1396 ( 1396 PWs) bands (ev): -14.4716 -14.4716 -14.4716 -14.4716 -2.4424 -2.4424 -2.4424 -2.4424 -1.1108 -1.1108 -1.1108 -1.1108 -0.2452 -0.2452 -0.2452 -0.2452 9.3592 9.3592 9.3592 9.3592 13.1672 13.1672 13.1672 13.1672 k = 0.0980 0.1698 0.1396 ( 1396 PWs) bands (ev): -14.5265 -14.5265 -14.5265 -14.5265 -2.5076 -2.5076 -2.5076 -2.5076 -0.9704 -0.9704 -0.9704 -0.9704 -0.1448 -0.1448 -0.1448 -0.1448 9.2885 9.2885 9.2885 9.2885 13.1202 13.1202 13.1202 13.1202 k = 0.0941 0.1630 0.1396 ( 1396 PWs) bands (ev): -14.5794 -14.5794 -14.5794 -14.5794 -2.5703 -2.5703 -2.5703 -2.5703 -0.8316 -0.8316 -0.8316 -0.8316 -0.0469 -0.0469 -0.0469 -0.0469 9.2204 9.2204 9.2204 9.2204 13.0753 13.0753 13.0753 13.0753 k = 0.0902 0.1562 0.1396 ( 1396 PWs) bands (ev): -14.6301 -14.6301 -14.6301 -14.6301 -2.6304 -2.6304 -2.6304 -2.6304 -0.6946 -0.6946 -0.6946 -0.6946 0.0483 0.0483 0.0483 0.0483 9.1551 9.1551 9.1551 9.1551 13.0325 13.0325 13.0325 13.0325 k = 0.0863 0.1494 0.1396 ( 1400 PWs) bands (ev): -14.6787 -14.6787 -14.6787 -14.6787 -2.6882 -2.6882 -2.6882 -2.6882 -0.5596 -0.5596 -0.5596 -0.5596 0.1407 0.1407 0.1407 0.1407 9.0925 9.0925 9.0925 9.0925 12.9920 12.9920 12.9920 12.9920 k = 0.0824 0.1426 0.1396 ( 1400 PWs) bands (ev): -14.7252 -14.7252 -14.7252 -14.7252 -2.7434 -2.7434 -2.7434 -2.7434 -0.4268 -0.4268 -0.4268 -0.4268 0.2302 0.2302 0.2302 0.2302 9.0328 9.0328 9.0328 9.0328 12.9538 12.9538 12.9538 12.9538 k = 0.0784 0.1358 0.1396 ( 1396 PWs) bands (ev): -14.7695 -14.7695 -14.7695 -14.7695 -2.7961 -2.7961 -2.7961 -2.7961 -0.2965 -0.2965 -0.2965 -0.2965 0.3167 0.3167 0.3167 0.3167 8.9757 8.9757 8.9757 8.9757 12.9179 12.9179 12.9179 12.9179 k = 0.0745 0.1291 0.1396 ( 1400 PWs) bands (ev): -14.8117 -14.8117 -14.8117 -14.8117 -2.8463 -2.8463 -2.8463 -2.8463 -0.1693 -0.1693 -0.1693 -0.1693 0.3999 0.3999 0.3999 0.3999 8.9215 8.9215 8.9215 8.9215 12.8840 12.8840 12.8840 12.8840 k = 0.0706 0.1223 0.1396 ( 1404 PWs) bands (ev): -14.8517 -14.8517 -14.8517 -14.8517 -2.8940 -2.8940 -2.8940 -2.8940 -0.0453 -0.0453 -0.0453 -0.0453 0.4797 0.4797 0.4797 0.4797 8.8700 8.8700 8.8700 8.8700 12.8524 12.8524 12.8524 12.8524 k = 0.0667 0.1155 0.1396 ( 1404 PWs) bands (ev): -14.8896 -14.8896 -14.8896 -14.8896 -2.9392 -2.9392 -2.9392 -2.9392 0.0754 0.0754 0.0754 0.0754 0.5562 0.5562 0.5562 0.5562 8.8212 8.8212 8.8212 8.8212 12.8228 12.8228 12.8228 12.8228 k = 0.0627 0.1087 0.1396 ( 1404 PWs) bands (ev): -14.9253 -14.9253 -14.9253 -14.9253 -2.9818 -2.9818 -2.9818 -2.9818 0.1920 0.1920 0.1920 0.1920 0.6290 0.6290 0.6290 0.6290 8.7753 8.7753 8.7753 8.7753 12.7954 12.7954 12.7954 12.7954 k = 0.0588 0.1019 0.1396 ( 1406 PWs) bands (ev): -14.9589 -14.9589 -14.9589 -14.9589 -3.0219 -3.0219 -3.0219 -3.0219 0.3044 0.3044 0.3044 0.3044 0.6980 0.6980 0.6980 0.6980 8.7321 8.7321 8.7321 8.7321 12.7700 12.7700 12.7700 12.7700 k = 0.0549 0.0951 0.1396 ( 1402 PWs) bands (ev): -14.9903 -14.9903 -14.9903 -14.9903 -3.0594 -3.0594 -3.0594 -3.0594 0.4122 0.4122 0.4122 0.4122 0.7633 0.7633 0.7633 0.7633 8.6917 8.6917 8.6917 8.6917 12.7467 12.7467 12.7467 12.7467 k = 0.0510 0.0883 0.1396 ( 1406 PWs) bands (ev): -15.0196 -15.0196 -15.0196 -15.0196 -3.0944 -3.0944 -3.0944 -3.0944 0.5149 0.5149 0.5149 0.5149 0.8245 0.8245 0.8245 0.8245 8.6541 8.6541 8.6541 8.6541 12.7252 12.7252 12.7252 12.7252 k = 0.0471 0.0815 0.1396 ( 1410 PWs) bands (ev): -15.0467 -15.0467 -15.0467 -15.0467 -3.1268 -3.1268 -3.1268 -3.1268 0.6121 0.6121 0.6121 0.6121 0.8817 0.8817 0.8817 0.8817 8.6193 8.6193 8.6193 8.6193 12.7054 12.7054 12.7054 12.7054 k = 0.0431 0.0747 0.1396 ( 1410 PWs) bands (ev): -15.0717 -15.0717 -15.0717 -15.0717 -3.1566 -3.1566 -3.1566 -3.1566 0.7036 0.7036 0.7036 0.7036 0.9348 0.9348 0.9348 0.9348 8.5873 8.5873 8.5873 8.5873 12.6877 12.6877 12.6877 12.6877 k = 0.0392 0.0679 0.1396 ( 1410 PWs) bands (ev): -15.0945 -15.0945 -15.0945 -15.0945 -3.1839 -3.1839 -3.1839 -3.1839 0.7888 0.7888 0.7888 0.7888 0.9835 0.9835 0.9835 0.9835 8.5580 8.5580 8.5580 8.5580 12.6717 12.6717 12.6717 12.6717 k = 0.0353 0.0611 0.1396 ( 1410 PWs) bands (ev): -15.1151 -15.1151 -15.1151 -15.1151 -3.2085 -3.2085 -3.2085 -3.2085 0.8674 0.8674 0.8674 0.8674 1.0280 1.0280 1.0280 1.0280 8.5316 8.5316 8.5316 8.5316 12.6574 12.6574 12.6574 12.6574 k = 0.0314 0.0543 0.1396 ( 1406 PWs) bands (ev): -15.1335 -15.1335 -15.1335 -15.1335 -3.2305 -3.2305 -3.2305 -3.2305 0.9390 0.9390 0.9390 0.9390 1.0680 1.0680 1.0680 1.0680 8.5079 8.5079 8.5079 8.5079 12.6447 12.6447 12.6447 12.6447 k = 0.0275 0.0475 0.1396 ( 1400 PWs) bands (ev): -15.1498 -15.1498 -15.1498 -15.1498 -3.2500 -3.2500 -3.2500 -3.2500 1.0032 1.0032 1.0032 1.0032 1.1035 1.1035 1.1035 1.1035 8.4870 8.4870 8.4870 8.4870 12.6338 12.6338 12.6338 12.6338 k = 0.0235 0.0408 0.1396 ( 1404 PWs) bands (ev): -15.1639 -15.1639 -15.1639 -15.1639 -3.2669 -3.2669 -3.2669 -3.2669 1.0595 1.0595 1.0595 1.0595 1.1345 1.1345 1.1345 1.1345 8.4689 8.4689 8.4689 8.4689 12.6242 12.6242 12.6242 12.6242 k = 0.0196 0.0340 0.1396 ( 1400 PWs) bands (ev): -15.1759 -15.1759 -15.1759 -15.1759 -3.2812 -3.2812 -3.2812 -3.2812 1.1079 1.1079 1.1079 1.1079 1.1608 1.1608 1.1608 1.1608 8.4536 8.4536 8.4536 8.4536 12.6162 12.6162 12.6162 12.6163 k = 0.0157 0.0272 0.1396 ( 1398 PWs) bands (ev): -15.1856 -15.1856 -15.1856 -15.1856 -3.2929 -3.2929 -3.2929 -3.2929 1.1477 1.1477 1.1477 1.1477 1.1825 1.1825 1.1825 1.1825 8.4410 8.4410 8.4410 8.4410 12.6097 12.6097 12.6097 12.6097 k = 0.0118 0.0204 0.1396 ( 1398 PWs) bands (ev): -15.1932 -15.1932 -15.1932 -15.1932 -3.3020 -3.3020 -3.3020 -3.3020 1.1786 1.1786 1.1786 1.1786 1.1997 1.1997 1.1997 1.1997 8.4313 8.4313 8.4313 8.4313 12.6046 12.6046 12.6046 12.6046 k = 0.0078 0.0136 0.1396 ( 1402 PWs) bands (ev): -15.1987 -15.1987 -15.1987 -15.1987 -3.3086 -3.3086 -3.3086 -3.3086 1.2002 1.2002 1.2002 1.2002 1.2127 1.2127 1.2127 1.2127 8.4243 8.4243 8.4243 8.4243 12.6005 12.6005 12.6005 12.6005 k = 0.0039 0.0068 0.1396 ( 1402 PWs) bands (ev): -15.2019 -15.2019 -15.2019 -15.2019 -3.3125 -3.3125 -3.3125 -3.3125 1.2122 1.2122 1.2122 1.2122 1.2215 1.2215 1.2215 1.2215 8.4201 8.4201 8.4201 8.4201 12.5970 12.5970 12.5970 12.5972 k = 0.0000 0.0000 0.1396 ( 1402 PWs) bands (ev): -15.2030 -15.2030 -15.2030 -15.2030 -3.3138 -3.3138 -3.3138 -3.3138 1.2158 1.2158 1.2158 1.2158 1.2249 1.2249 1.2249 1.2249 8.4187 8.4187 8.4187 8.4187 12.5947 12.5947 12.5948 12.5949 k = 0.5000 0.2887 0.1396 ( 1400 PWs) bands (ev): -9.9819 -9.9819 -9.9819 -9.9819 -8.9425 -8.9425 -8.9425 -8.9425 -2.1513 -2.1513 -2.1513 -2.1513 1.9339 1.9339 1.9339 1.9339 5.9679 5.9679 5.9679 5.9679 11.6587 11.6587 11.6587 11.6587 k = 0.5000 0.2887 0.1319 ( 1402 PWs) bands (ev): -9.9822 -9.9822 -9.9816 -9.9816 -8.9428 -8.9428 -8.9423 -8.9423 -2.1515 -2.1515 -2.1512 -2.1512 1.9291 1.9291 1.9387 1.9387 5.9608 5.9608 5.9752 5.9752 11.6571 11.6571 11.6603 11.6603 k = 0.5000 0.2887 0.1241 ( 1394 PWs) bands (ev): -9.9826 -9.9826 -9.9812 -9.9812 -8.9431 -8.9431 -8.9420 -8.9420 -2.1515 -2.1515 -2.1510 -2.1510 1.9244 1.9244 1.9434 1.9434 5.9538 5.9538 5.9826 5.9826 11.6555 11.6555 11.6620 11.6620 k = 0.5000 0.2887 0.1163 ( 1398 PWs) bands (ev): -9.9830 -9.9830 -9.9809 -9.9809 -8.9434 -8.9434 -8.9417 -8.9417 -2.1517 -2.1517 -2.1509 -2.1509 1.9196 1.9196 1.9479 1.9479 5.9471 5.9471 5.9899 5.9899 11.6539 11.6539 11.6635 11.6635 k = 0.5000 0.2887 0.1086 ( 1402 PWs) bands (ev): -9.9833 -9.9833 -9.9806 -9.9806 -8.9437 -8.9437 -8.9415 -8.9415 -2.1518 -2.1518 -2.1508 -2.1508 1.9149 1.9149 1.9524 1.9524 5.9407 5.9407 5.9973 5.9973 11.6523 11.6523 11.6651 11.6651 k = 0.5000 0.2887 0.1008 ( 1402 PWs) bands (ev): -9.9836 -9.9836 -9.9803 -9.9803 -8.9439 -8.9439 -8.9413 -8.9413 -2.1519 -2.1519 -2.1507 -2.1507 1.9105 1.9105 1.9567 1.9567 5.9346 5.9346 6.0045 6.0045 11.6508 11.6508 11.6666 11.6666 k = 0.5000 0.2887 0.0931 ( 1400 PWs) bands (ev): -9.9839 -9.9839 -9.9800 -9.9800 -8.9442 -8.9442 -8.9410 -8.9410 -2.1520 -2.1520 -2.1506 -2.1506 1.9061 1.9061 1.9608 1.9608 5.9289 5.9289 6.0118 6.0118 11.6494 11.6494 11.6680 11.6680 k = 0.5000 0.2887 0.0853 ( 1404 PWs) bands (ev): -9.9842 -9.9842 -9.9798 -9.9798 -8.9444 -8.9444 -8.9408 -8.9408 -2.1521 -2.1521 -2.1505 -2.1505 1.9019 1.9019 1.9647 1.9647 5.9235 5.9235 6.0186 6.0186 11.6480 11.6480 11.6694 11.6694 k = 0.5000 0.2887 0.0776 ( 1408 PWs) bands (ev): -9.9845 -9.9845 -9.9795 -9.9795 -8.9446 -8.9446 -8.9406 -8.9406 -2.1522 -2.1522 -2.1504 -2.1504 1.8980 1.8980 1.9683 1.9683 5.9185 5.9185 6.0251 6.0251 11.6467 11.6467 11.6707 11.6707 k = 0.5000 0.2887 0.0698 ( 1408 PWs) bands (ev): -9.9848 -9.9848 -9.9792 -9.9792 -8.9449 -8.9449 -8.9404 -8.9404 -2.1522 -2.1522 -2.1503 -2.1503 1.8943 1.8943 1.9718 1.9718 5.9140 5.9140 6.0313 6.0313 11.6455 11.6455 11.6719 11.6719 k = 0.5000 0.2887 0.0621 ( 1408 PWs) bands (ev): -9.9850 -9.9850 -9.9790 -9.9790 -8.9450 -8.9450 -8.9402 -8.9402 -2.1523 -2.1523 -2.1502 -2.1502 1.8910 1.8910 1.9749 1.9749 5.9100 5.9100 6.0370 6.0370 11.6444 11.6444 11.6730 11.6730 k = 0.5000 0.2887 0.0543 ( 1406 PWs) bands (ev): -9.9852 -9.9852 -9.9788 -9.9788 -8.9452 -8.9452 -8.9400 -8.9400 -2.1524 -2.1524 -2.1500 -2.1500 1.8880 1.8880 1.9777 1.9777 5.9064 5.9064 6.0422 6.0422 11.6435 11.6435 11.6741 11.6741 k = 0.5000 0.2887 0.0465 ( 1406 PWs) bands (ev): -9.9854 -9.9854 -9.9786 -9.9786 -8.9453 -8.9453 -8.9398 -8.9398 -2.1524 -2.1524 -2.1499 -2.1499 1.8853 1.8853 1.9801 1.9801 5.9033 5.9033 6.0469 6.0469 11.6426 11.6426 11.6750 11.6750 k = 0.5000 0.2887 0.0388 ( 1404 PWs) bands (ev): -9.9856 -9.9856 -9.9785 -9.9785 -8.9454 -8.9454 -8.9397 -8.9397 -2.1526 -2.1526 -2.1499 -2.1499 1.8831 1.8831 1.9823 1.9823 5.9006 5.9006 6.0509 6.0509 11.6419 11.6419 11.6757 11.6757 k = 0.5000 0.2887 0.0310 ( 1408 PWs) bands (ev): -9.9857 -9.9857 -9.9783 -9.9783 -8.9455 -8.9455 -8.9396 -8.9396 -2.1526 -2.1526 -2.1499 -2.1499 1.8811 1.8811 1.9839 1.9839 5.8984 5.8984 6.0542 6.0542 11.6412 11.6412 11.6764 11.6764 k = 0.5000 0.2887 0.0233 ( 1410 PWs) bands (ev): -9.9858 -9.9858 -9.9782 -9.9782 -8.9456 -8.9456 -8.9395 -8.9395 -2.1526 -2.1526 -2.1498 -2.1498 1.8797 1.8797 1.9853 1.9853 5.8967 5.8967 6.0568 6.0568 11.6408 11.6408 11.6768 11.6768 k = 0.5000 0.2887 0.0155 ( 1410 PWs) bands (ev): -9.9859 -9.9859 -9.9781 -9.9781 -8.9457 -8.9457 -8.9394 -8.9394 -2.1527 -2.1527 -2.1498 -2.1498 1.8787 1.8787 1.9862 1.9862 5.8955 5.8955 6.0587 6.0587 11.6404 11.6404 11.6772 11.6772 k = 0.5000 0.2887 0.0078 ( 1404 PWs) bands (ev): -9.9859 -9.9859 -9.9781 -9.9781 -8.9457 -8.9457 -8.9394 -8.9394 -2.1526 -2.1526 -2.1498 -2.1498 1.8781 1.8781 1.9869 1.9869 5.8948 5.8948 6.0599 6.0599 11.6402 11.6402 11.6774 11.6774 k = 0.5000 0.2887-0.0000 ( 1404 PWs) bands (ev): -9.9860 -9.9860 -9.9780 -9.9780 -8.9457 -8.9457 -8.9393 -8.9393 -2.1526 -2.1526 -2.1498 -2.1498 1.8779 1.8779 1.9871 1.9871 5.8946 5.8946 6.0603 6.0603 11.6402 11.6402 11.6775 11.6775 k = 0.3333 0.5774-0.0000 ( 1389 PWs) bands (ev): -8.3145 -8.3145 -8.3090 -8.3090 -8.3069 -8.3069 -8.3017 -8.3017 -6.2684 -6.2684 -6.2684 -6.2684 4.1925 4.1925 4.2900 4.2900 4.2900 4.2900 4.3906 4.3906 14.9478 14.9478 14.9478 14.9478 k = 0.3333 0.5774 0.0078 ( 1389 PWs) bands (ev): -8.3145 -8.3145 -8.3090 -8.3090 -8.3069 -8.3069 -8.3017 -8.3017 -6.2684 -6.2684 -6.2684 -6.2684 4.1928 4.1928 4.2900 4.2900 4.2900 4.2900 4.3902 4.3902 14.9459 14.9459 14.9459 14.9459 k = 0.3333 0.5774 0.0155 ( 1389 PWs) bands (ev): -8.3144 -8.3144 -8.3090 -8.3090 -8.3069 -8.3069 -8.3018 -8.3018 -6.2684 -6.2684 -6.2684 -6.2684 4.1939 4.1939 4.2900 4.2900 4.2900 4.2900 4.3891 4.3891 14.9403 14.9403 14.9403 14.9403 k = 0.3333 0.5774 0.0233 ( 1389 PWs) bands (ev): -8.3143 -8.3143 -8.3090 -8.3090 -8.3069 -8.3069 -8.3019 -8.3019 -6.2684 -6.2684 -6.2684 -6.2684 4.1957 4.1957 4.2901 4.2901 4.2901 4.2901 4.3871 4.3871 14.9313 14.9313 14.9313 14.9313 k = 0.3333 0.5774 0.0310 ( 1386 PWs) bands (ev): -8.3141 -8.3141 -8.3089 -8.3089 -8.3069 -8.3069 -8.3021 -8.3021 -6.2684 -6.2684 -6.2684 -6.2684 4.1983 4.1983 4.2902 4.2902 4.2902 4.2902 4.3846 4.3846 14.9193 14.9193 14.9194 14.9194 k = 0.3333 0.5774 0.0388 ( 1392 PWs) bands (ev): -8.3139 -8.3139 -8.3090 -8.3090 -8.3070 -8.3070 -8.3024 -8.3024 -6.2685 -6.2685 -6.2685 -6.2685 4.2014 4.2014 4.2902 4.2902 4.2902 4.2902 4.3812 4.3812 14.9049 14.9049 14.9050 14.9050 k = 0.3333 0.5774 0.0465 ( 1392 PWs) bands (ev): -8.3136 -8.3136 -8.3090 -8.3090 -8.3070 -8.3070 -8.3026 -8.3026 -6.2684 -6.2684 -6.2684 -6.2684 4.2051 4.2051 4.2902 4.2902 4.2902 4.2902 4.3771 4.3771 14.8887 14.8887 14.8888 14.8888 k = 0.3333 0.5774 0.0543 ( 1398 PWs) bands (ev): -8.3134 -8.3134 -8.3090 -8.3090 -8.3070 -8.3070 -8.3029 -8.3029 -6.2684 -6.2684 -6.2684 -6.2684 4.2096 4.2096 4.2901 4.2901 4.2901 4.2901 4.3721 4.3721 14.8714 14.8714 14.8715 14.8715 k = 0.3333 0.5774 0.0621 ( 1398 PWs) bands (ev): -8.3131 -8.3131 -8.3090 -8.3090 -8.3070 -8.3070 -8.3033 -8.3033 -6.2684 -6.2684 -6.2684 -6.2684 4.2147 4.2147 4.2902 4.2902 4.2902 4.2902 4.3666 4.3666 14.8535 14.8535 14.8536 14.8536 k = 0.3333 0.5774 0.0698 ( 1389 PWs) bands (ev): -8.3127 -8.3127 -8.3090 -8.3090 -8.3070 -8.3070 -8.3036 -8.3036 -6.2683 -6.2683 -6.2683 -6.2683 4.2205 4.2205 4.2903 4.2903 4.2903 4.2903 4.3606 4.3606 14.8357 14.8357 14.8358 14.8358 k = 0.3333 0.5774 0.0776 ( 1389 PWs) bands (ev): -8.3123 -8.3123 -8.3090 -8.3090 -8.3070 -8.3070 -8.3039 -8.3039 -6.2683 -6.2683 -6.2683 -6.2683 4.2267 4.2267 4.2903 4.2903 4.2903 4.2903 4.3541 4.3541 14.8184 14.8184 14.8186 14.8186 k = 0.3333 0.5774 0.0853 ( 1389 PWs) bands (ev): -8.3119 -8.3119 -8.3090 -8.3090 -8.3069 -8.3069 -8.3044 -8.3044 -6.2683 -6.2683 -6.2683 -6.2683 4.2334 4.2334 4.2904 4.2904 4.2904 4.2904 4.3470 4.3470 14.8022 14.8022 14.8024 14.8024 k = 0.3333 0.5774 0.0931 ( 1401 PWs) bands (ev): -8.3114 -8.3114 -8.3090 -8.3090 -8.3070 -8.3070 -8.3049 -8.3049 -6.2684 -6.2684 -6.2684 -6.2684 4.2403 4.2403 4.2903 4.2903 4.2903 4.2903 4.3396 4.3396 14.7874 14.7874 14.7875 14.7875 k = 0.3333 0.5774 0.1008 ( 1398 PWs) bands (ev): -8.3110 -8.3110 -8.3090 -8.3090 -8.3070 -8.3070 -8.3054 -8.3054 -6.2684 -6.2684 -6.2684 -6.2684 4.2479 4.2479 4.2904 4.2904 4.2904 4.2904 4.3319 4.3319 14.7743 14.7743 14.7745 14.7745 k = 0.3333 0.5774 0.1086 ( 1404 PWs) bands (ev): -8.3106 -8.3106 -8.3090 -8.3090 -8.3070 -8.3070 -8.3058 -8.3058 -6.2684 -6.2684 -6.2684 -6.2684 4.2557 4.2557 4.2904 4.2904 4.2904 4.2904 4.3238 4.3238 14.7632 14.7632 14.7634 14.7634 k = 0.3333 0.5774 0.1163 ( 1398 PWs) bands (ev): -8.3101 -8.3101 -8.3090 -8.3090 -8.3070 -8.3070 -8.3063 -8.3063 -6.2684 -6.2684 -6.2684 -6.2684 4.2640 4.2640 4.2905 4.2905 4.2905 4.2905 4.3154 4.3154 14.7544 14.7544 14.7546 14.7546 k = 0.3333 0.5774 0.1241 ( 1398 PWs) bands (ev): -8.3097 -8.3097 -8.3090 -8.3090 -8.3070 -8.3070 -8.3067 -8.3067 -6.2684 -6.2684 -6.2684 -6.2684 4.2723 4.2723 4.2905 4.2905 4.2905 4.2905 4.3069 4.3069 14.7480 14.7480 14.7482 14.7482 k = 0.3333 0.5774 0.1319 ( 1398 PWs) bands (ev): -8.3093 -8.3093 -8.3090 -8.3090 -8.3070 -8.3070 -8.3070 -8.3070 -6.2684 -6.2684 -6.2684 -6.2684 4.2809 4.2809 4.2905 4.2905 4.2905 4.2905 4.2983 4.2983 14.7441 14.7441 14.7443 14.7443 k = 0.3333 0.5774 0.1396 ( 1392 PWs) bands (ev): -8.3092 -8.3092 -8.3090 -8.3090 -8.3072 -8.3072 -8.3070 -8.3070 -6.2684 -6.2684 -6.2684 -6.2684 4.2896 4.2896 4.2896 4.2896 4.2906 4.2906 4.2906 4.2906 14.7428 14.7428 14.7431 14.7431 Writing output data file C.save init_run : 0.05s CPU 0.19s WALL ( 1 calls) electrons : 39.06s CPU 41.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 39.05s CPU 41.04s 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 : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 467 calls) cegterg : 35.51s CPU 36.39s WALL ( 529 calls) Called by sum_band: Called by *egterg: h_psi : 16.51s CPU 17.06s WALL ( 8073 calls) s_psi : 0.39s CPU 0.41s WALL ( 8073 calls) g_psi : 0.03s CPU 0.04s WALL ( 7077 calls) cdiaghg : 17.96s CPU 18.40s WALL ( 7544 calls) cegterg:over : 1.20s CPU 1.19s WALL ( 7077 calls) cegterg:upda : 0.97s CPU 0.89s WALL ( 7077 calls) cegterg:last : 0.38s CPU 0.48s WALL ( 1416 calls) cdiaghg:chol : 0.94s CPU 0.96s WALL ( 7544 calls) cdiaghg:inve : 0.25s CPU 0.32s WALL ( 7544 calls) cdiaghg:para : 1.17s CPU 1.22s WALL ( 15088 calls) Called by h_psi: h_psi:vloc : 15.20s CPU 15.69s WALL ( 8073 calls) h_psi:vnl : 1.27s CPU 1.35s WALL ( 8073 calls) add_vuspsi : 0.50s CPU 0.52s WALL ( 8073 calls) General routines calbec : 0.76s CPU 0.81s WALL ( 8073 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.29s CPU 14.75s WALL ( 434132 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.11s WALL ( 934 calls) Parallel routines fft_scatter : 7.99s CPU 8.14s WALL ( 434155 calls) PWSCF : 0m46.02s CPU 1m24.42s WALL This run was terminated on: 17: 9:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=