Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:51:59 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: ./Mo.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 11 3 335 175 31 Max 18 12 4 341 180 36 Sum 613 409 121 12161 6371 1177 bravais-lattice index = 14 lattice parameter (alat) = 5.4093 a.u. unit-cell volume = 134.2753 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 307.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.409341 celldm(2)= 1.000000 celldm(3)= 0.979563 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.979563 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.020863 ) PseudoPot. # 1 for Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mo 14.00 95.94000 Mo( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 530 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018868 k( 2) = ( 0.0078125 0.0045105 -0.0000000), wk = 0.0018868 k( 3) = ( 0.0156250 0.0090211 -0.0000000), wk = 0.0018868 k( 4) = ( 0.0234375 0.0135316 -0.0000000), wk = 0.0018868 k( 5) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0018868 k( 6) = ( 0.0390625 0.0225527 -0.0000000), wk = 0.0018868 k( 7) = ( 0.0468750 0.0270633 -0.0000000), wk = 0.0018868 k( 8) = ( 0.0546875 0.0315738 -0.0000000), wk = 0.0018868 k( 9) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0018868 k( 10) = ( 0.0703125 0.0405949 -0.0000000), wk = 0.0018868 k( 11) = ( 0.0781250 0.0451055 -0.0000000), wk = 0.0018868 k( 12) = ( 0.0859375 0.0496160 -0.0000000), wk = 0.0018868 k( 13) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0018868 k( 14) = ( 0.1015625 0.0586371 -0.0000000), wk = 0.0018868 k( 15) = ( 0.1093750 0.0631477 -0.0000000), wk = 0.0018868 k( 16) = ( 0.1171875 0.0676582 -0.0000000), wk = 0.0018868 k( 17) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0018868 k( 18) = ( 0.1328125 0.0766793 -0.0000000), wk = 0.0018868 k( 19) = ( 0.1406250 0.0811899 -0.0000000), wk = 0.0018868 k( 20) = ( 0.1484375 0.0857004 -0.0000000), wk = 0.0018868 k( 21) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0018868 k( 22) = ( 0.1640625 0.0947215 -0.0000000), wk = 0.0018868 k( 23) = ( 0.1718750 0.0992321 -0.0000000), wk = 0.0018868 k( 24) = ( 0.1796875 0.1037426 -0.0000000), wk = 0.0018868 k( 25) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0018868 k( 26) = ( 0.1953125 0.1127637 -0.0000000), wk = 0.0018868 k( 27) = ( 0.2031250 0.1172743 -0.0000000), wk = 0.0018868 k( 28) = ( 0.2109375 0.1217848 -0.0000000), wk = 0.0018868 k( 29) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0018868 k( 30) = ( 0.2265625 0.1308059 -0.0000000), wk = 0.0018868 k( 31) = ( 0.2343750 0.1353165 -0.0000000), wk = 0.0018868 k( 32) = ( 0.2421875 0.1398270 -0.0000000), wk = 0.0018868 k( 33) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0018868 k( 34) = ( 0.2578125 0.1488481 -0.0000000), wk = 0.0018868 k( 35) = ( 0.2656250 0.1533587 -0.0000000), wk = 0.0018868 k( 36) = ( 0.2734375 0.1578692 -0.0000000), wk = 0.0018868 k( 37) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0018868 k( 38) = ( 0.2890625 0.1668903 -0.0000000), wk = 0.0018868 k( 39) = ( 0.2968750 0.1714009 -0.0000000), wk = 0.0018868 k( 40) = ( 0.3046875 0.1759114 -0.0000000), wk = 0.0018868 k( 41) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0018868 k( 42) = ( 0.3203125 0.1849325 -0.0000000), wk = 0.0018868 k( 43) = ( 0.3281250 0.1894431 -0.0000000), wk = 0.0018868 k( 44) = ( 0.3359375 0.1939536 -0.0000000), wk = 0.0018868 k( 45) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0018868 k( 46) = ( 0.3515625 0.2029747 -0.0000000), wk = 0.0018868 k( 47) = ( 0.3593750 0.2074853 -0.0000000), wk = 0.0018868 k( 48) = ( 0.3671875 0.2119958 -0.0000000), wk = 0.0018868 k( 49) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0018868 k( 50) = ( 0.3828125 0.2210169 -0.0000000), wk = 0.0018868 k( 51) = ( 0.3906250 0.2255274 -0.0000000), wk = 0.0018868 k( 52) = ( 0.3984375 0.2300380 -0.0000000), wk = 0.0018868 k( 53) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0018868 k( 54) = ( 0.4140625 0.2390591 -0.0000000), wk = 0.0018868 k( 55) = ( 0.4218750 0.2435696 -0.0000000), wk = 0.0018868 k( 56) = ( 0.4296875 0.2480802 -0.0000000), wk = 0.0018868 k( 57) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0018868 k( 58) = ( 0.4453125 0.2571013 -0.0000000), wk = 0.0018868 k( 59) = ( 0.4531250 0.2616118 -0.0000000), wk = 0.0018868 k( 60) = ( 0.4609375 0.2661224 -0.0000000), wk = 0.0018868 k( 61) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0018868 k( 62) = ( 0.4765625 0.2751435 -0.0000000), wk = 0.0018868 k( 63) = ( 0.4843750 0.2796540 -0.0000000), wk = 0.0018868 k( 64) = ( 0.4921875 0.2841646 -0.0000000), wk = 0.0018868 k( 65) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0018868 k( 66) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0018868 k( 67) = ( 0.4954955 0.2964772 -0.0000000), wk = 0.0018868 k( 68) = ( 0.4909910 0.3042792 -0.0000000), wk = 0.0018868 k( 69) = ( 0.4864865 0.3120812 -0.0000000), wk = 0.0018868 k( 70) = ( 0.4819820 0.3198833 -0.0000000), wk = 0.0018868 k( 71) = ( 0.4774775 0.3276853 -0.0000000), wk = 0.0018868 k( 72) = ( 0.4729730 0.3354873 -0.0000000), wk = 0.0018868 k( 73) = ( 0.4684685 0.3432893 -0.0000000), wk = 0.0018868 k( 74) = ( 0.4639640 0.3510914 -0.0000000), wk = 0.0018868 k( 75) = ( 0.4594595 0.3588934 -0.0000000), wk = 0.0018868 k( 76) = ( 0.4549550 0.3666954 -0.0000000), wk = 0.0018868 k( 77) = ( 0.4504505 0.3744975 -0.0000000), wk = 0.0018868 k( 78) = ( 0.4459459 0.3822995 -0.0000000), wk = 0.0018868 k( 79) = ( 0.4414414 0.3901015 -0.0000000), wk = 0.0018868 k( 80) = ( 0.4369369 0.3979036 -0.0000000), wk = 0.0018868 k( 81) = ( 0.4324324 0.4057056 -0.0000000), wk = 0.0018868 k( 82) = ( 0.4279279 0.4135076 -0.0000000), wk = 0.0018868 k( 83) = ( 0.4234234 0.4213097 -0.0000000), wk = 0.0018868 k( 84) = ( 0.4189189 0.4291117 -0.0000000), wk = 0.0018868 k( 85) = ( 0.4144144 0.4369137 -0.0000000), wk = 0.0018868 k( 86) = ( 0.4099099 0.4447157 -0.0000000), wk = 0.0018868 k( 87) = ( 0.4054054 0.4525178 -0.0000000), wk = 0.0018868 k( 88) = ( 0.4009009 0.4603198 -0.0000000), wk = 0.0018868 k( 89) = ( 0.3963964 0.4681218 -0.0000000), wk = 0.0018868 k( 90) = ( 0.3918919 0.4759239 -0.0000000), wk = 0.0018868 k( 91) = ( 0.3873874 0.4837259 -0.0000000), wk = 0.0018868 k( 92) = ( 0.3828829 0.4915279 -0.0000000), wk = 0.0018868 k( 93) = ( 0.3783784 0.4993300 -0.0000000), wk = 0.0018868 k( 94) = ( 0.3738739 0.5071320 -0.0000000), wk = 0.0018868 k( 95) = ( 0.3693694 0.5149340 -0.0000000), wk = 0.0018868 k( 96) = ( 0.3648649 0.5227361 -0.0000000), wk = 0.0018868 k( 97) = ( 0.3603604 0.5305381 -0.0000000), wk = 0.0018868 k( 98) = ( 0.3558559 0.5383401 -0.0000000), wk = 0.0018868 k( 99) = ( 0.3513514 0.5461421 -0.0000000), wk = 0.0018868 k( 100) = ( 0.3468468 0.5539442 -0.0000000), wk = 0.0018868 k( 101) = ( 0.3423423 0.5617462 -0.0000000), wk = 0.0018868 k( 102) = ( 0.3378378 0.5695482 -0.0000000), wk = 0.0018868 k( 103) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0018868 k( 104) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0018868 k( 105) = ( 0.3288288 0.5695482 -0.0000000), wk = 0.0018868 k( 106) = ( 0.3243243 0.5617462 -0.0000000), wk = 0.0018868 k( 107) = ( 0.3198198 0.5539442 -0.0000000), wk = 0.0018868 k( 108) = ( 0.3153153 0.5461422 -0.0000000), wk = 0.0018868 k( 109) = ( 0.3108108 0.5383401 -0.0000000), wk = 0.0018868 k( 110) = ( 0.3063063 0.5305381 -0.0000000), wk = 0.0018868 k( 111) = ( 0.3018018 0.5227361 -0.0000000), wk = 0.0018868 k( 112) = ( 0.2972973 0.5149340 -0.0000000), wk = 0.0018868 k( 113) = ( 0.2927928 0.5071320 -0.0000000), wk = 0.0018868 k( 114) = ( 0.2882883 0.4993300 -0.0000000), wk = 0.0018868 k( 115) = ( 0.2837838 0.4915279 -0.0000000), wk = 0.0018868 k( 116) = ( 0.2792793 0.4837259 -0.0000000), wk = 0.0018868 k( 117) = ( 0.2747748 0.4759239 -0.0000000), wk = 0.0018868 k( 118) = ( 0.2702703 0.4681218 -0.0000000), wk = 0.0018868 k( 119) = ( 0.2657658 0.4603198 -0.0000000), wk = 0.0018868 k( 120) = ( 0.2612613 0.4525178 -0.0000000), wk = 0.0018868 k( 121) = ( 0.2567568 0.4447158 -0.0000000), wk = 0.0018868 k( 122) = ( 0.2522523 0.4369137 -0.0000000), wk = 0.0018868 k( 123) = ( 0.2477477 0.4291117 -0.0000000), wk = 0.0018868 k( 124) = ( 0.2432432 0.4213097 -0.0000000), wk = 0.0018868 k( 125) = ( 0.2387387 0.4135076 -0.0000000), wk = 0.0018868 k( 126) = ( 0.2342342 0.4057056 -0.0000000), wk = 0.0018868 k( 127) = ( 0.2297297 0.3979036 -0.0000000), wk = 0.0018868 k( 128) = ( 0.2252252 0.3901015 -0.0000000), wk = 0.0018868 k( 129) = ( 0.2207207 0.3822995 -0.0000000), wk = 0.0018868 k( 130) = ( 0.2162162 0.3744975 -0.0000000), wk = 0.0018868 k( 131) = ( 0.2117117 0.3666954 -0.0000000), wk = 0.0018868 k( 132) = ( 0.2072072 0.3588934 -0.0000000), wk = 0.0018868 k( 133) = ( 0.2027027 0.3510914 -0.0000000), wk = 0.0018868 k( 134) = ( 0.1981982 0.3432894 -0.0000000), wk = 0.0018868 k( 135) = ( 0.1936937 0.3354873 -0.0000000), wk = 0.0018868 k( 136) = ( 0.1891892 0.3276853 -0.0000000), wk = 0.0018868 k( 137) = ( 0.1846847 0.3198832 -0.0000000), wk = 0.0018868 k( 138) = ( 0.1801802 0.3120812 -0.0000000), wk = 0.0018868 k( 139) = ( 0.1756757 0.3042792 -0.0000000), wk = 0.0018868 k( 140) = ( 0.1711712 0.2964772 -0.0000000), wk = 0.0018868 k( 141) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0018868 k( 142) = ( 0.1621622 0.2808731 -0.0000000), wk = 0.0018868 k( 143) = ( 0.1576577 0.2730711 -0.0000000), wk = 0.0018868 k( 144) = ( 0.1531531 0.2652690 -0.0000000), wk = 0.0018868 k( 145) = ( 0.1486486 0.2574670 -0.0000000), wk = 0.0018868 k( 146) = ( 0.1441441 0.2496650 -0.0000000), wk = 0.0018868 k( 147) = ( 0.1396396 0.2418630 -0.0000000), wk = 0.0018868 k( 148) = ( 0.1351351 0.2340609 -0.0000000), wk = 0.0018868 k( 149) = ( 0.1306306 0.2262589 -0.0000000), wk = 0.0018868 k( 150) = ( 0.1261261 0.2184569 -0.0000000), wk = 0.0018868 k( 151) = ( 0.1216216 0.2106548 -0.0000000), wk = 0.0018868 k( 152) = ( 0.1171171 0.2028528 -0.0000000), wk = 0.0018868 k( 153) = ( 0.1126126 0.1950508 -0.0000000), wk = 0.0018868 k( 154) = ( 0.1081081 0.1872487 -0.0000000), wk = 0.0018868 k( 155) = ( 0.1036036 0.1794467 -0.0000000), wk = 0.0018868 k( 156) = ( 0.0990991 0.1716447 -0.0000000), wk = 0.0018868 k( 157) = ( 0.0945946 0.1638426 -0.0000000), wk = 0.0018868 k( 158) = ( 0.0900901 0.1560406 -0.0000000), wk = 0.0018868 k( 159) = ( 0.0855856 0.1482386 -0.0000000), wk = 0.0018868 k( 160) = ( 0.0810811 0.1404366 -0.0000000), wk = 0.0018868 k( 161) = ( 0.0765766 0.1326345 -0.0000000), wk = 0.0018868 k( 162) = ( 0.0720721 0.1248325 -0.0000000), wk = 0.0018868 k( 163) = ( 0.0675676 0.1170305 -0.0000000), wk = 0.0018868 k( 164) = ( 0.0630631 0.1092284 -0.0000000), wk = 0.0018868 k( 165) = ( 0.0585586 0.1014264 -0.0000000), wk = 0.0018868 k( 166) = ( 0.0540540 0.0936244 -0.0000000), wk = 0.0018868 k( 167) = ( 0.0495495 0.0858223 -0.0000000), wk = 0.0018868 k( 168) = ( 0.0450451 0.0780203 -0.0000000), wk = 0.0018868 k( 169) = ( 0.0405405 0.0702183 -0.0000000), wk = 0.0018868 k( 170) = ( 0.0360360 0.0624163 -0.0000000), wk = 0.0018868 k( 171) = ( 0.0315315 0.0546142 -0.0000000), wk = 0.0018868 k( 172) = ( 0.0270270 0.0468122 -0.0000000), wk = 0.0018868 k( 173) = ( 0.0225225 0.0390101 -0.0000000), wk = 0.0018868 k( 174) = ( 0.0180180 0.0312081 -0.0000000), wk = 0.0018868 k( 175) = ( 0.0135135 0.0234061 -0.0000000), wk = 0.0018868 k( 176) = ( 0.0090090 0.0156041 -0.0000000), wk = 0.0018868 k( 177) = ( 0.0045045 0.0078020 -0.0000000), wk = 0.0018868 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018868 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018868 k( 180) = ( 0.0000000 0.0000000 0.0089549), wk = 0.0018868 k( 181) = ( 0.0000000 0.0000000 0.0179099), wk = 0.0018868 k( 182) = ( 0.0000000 0.0000000 0.0268648), wk = 0.0018868 k( 183) = ( 0.0000000 0.0000000 0.0358198), wk = 0.0018868 k( 184) = ( 0.0000000 0.0000000 0.0447747), wk = 0.0018868 k( 185) = ( 0.0000000 0.0000000 0.0537296), wk = 0.0018868 k( 186) = ( 0.0000000 0.0000000 0.0626846), wk = 0.0018868 k( 187) = ( 0.0000000 0.0000000 0.0716395), wk = 0.0018868 k( 188) = ( 0.0000000 0.0000000 0.0805945), wk = 0.0018868 k( 189) = ( 0.0000000 0.0000000 0.0895494), wk = 0.0018868 k( 190) = ( 0.0000000 0.0000000 0.0985043), wk = 0.0018868 k( 191) = ( 0.0000000 0.0000000 0.1074593), wk = 0.0018868 k( 192) = ( 0.0000000 0.0000000 0.1164142), wk = 0.0018868 k( 193) = ( 0.0000000 0.0000000 0.1253691), wk = 0.0018868 k( 194) = ( 0.0000000 0.0000000 0.1343241), wk = 0.0018868 k( 195) = ( 0.0000000 0.0000000 0.1432790), wk = 0.0018868 k( 196) = ( 0.0000000 0.0000000 0.1522340), wk = 0.0018868 k( 197) = ( 0.0000000 0.0000000 0.1611889), wk = 0.0018868 k( 198) = ( 0.0000000 0.0000000 0.1701438), wk = 0.0018868 k( 199) = ( 0.0000000 0.0000000 0.1790988), wk = 0.0018868 k( 200) = ( 0.0000000 0.0000000 0.1880537), wk = 0.0018868 k( 201) = ( 0.0000000 0.0000000 0.1970087), wk = 0.0018868 k( 202) = ( 0.0000000 0.0000000 0.2059636), wk = 0.0018868 k( 203) = ( 0.0000000 0.0000000 0.2149185), wk = 0.0018868 k( 204) = ( 0.0000000 0.0000000 0.2238735), wk = 0.0018868 k( 205) = ( 0.0000000 0.0000000 0.2328284), wk = 0.0018868 k( 206) = ( 0.0000000 0.0000000 0.2417834), wk = 0.0018868 k( 207) = ( 0.0000000 0.0000000 0.2507383), wk = 0.0018868 k( 208) = ( 0.0000000 0.0000000 0.2596932), wk = 0.0018868 k( 209) = ( 0.0000000 0.0000000 0.2686482), wk = 0.0018868 k( 210) = ( 0.0000000 0.0000000 0.2776031), wk = 0.0018868 k( 211) = ( 0.0000000 0.0000000 0.2865580), wk = 0.0018868 k( 212) = ( 0.0000000 0.0000000 0.2955130), wk = 0.0018868 k( 213) = ( 0.0000000 0.0000000 0.3044679), wk = 0.0018868 k( 214) = ( 0.0000000 0.0000000 0.3134229), wk = 0.0018868 k( 215) = ( 0.0000000 0.0000000 0.3223778), wk = 0.0018868 k( 216) = ( 0.0000000 0.0000000 0.3313327), wk = 0.0018868 k( 217) = ( 0.0000000 0.0000000 0.3402877), wk = 0.0018868 k( 218) = ( 0.0000000 0.0000000 0.3492426), wk = 0.0018868 k( 219) = ( 0.0000000 0.0000000 0.3581976), wk = 0.0018868 k( 220) = ( 0.0000000 0.0000000 0.3671525), wk = 0.0018868 k( 221) = ( 0.0000000 0.0000000 0.3761074), wk = 0.0018868 k( 222) = ( 0.0000000 0.0000000 0.3850624), wk = 0.0018868 k( 223) = ( 0.0000000 0.0000000 0.3940173), wk = 0.0018868 k( 224) = ( 0.0000000 0.0000000 0.4029723), wk = 0.0018868 k( 225) = ( 0.0000000 0.0000000 0.4119272), wk = 0.0018868 k( 226) = ( 0.0000000 0.0000000 0.4208821), wk = 0.0018868 k( 227) = ( 0.0000000 0.0000000 0.4298371), wk = 0.0018868 k( 228) = ( 0.0000000 0.0000000 0.4387920), wk = 0.0018868 k( 229) = ( 0.0000000 0.0000000 0.4477470), wk = 0.0018868 k( 230) = ( 0.0000000 0.0000000 0.4567019), wk = 0.0018868 k( 231) = ( 0.0000000 0.0000000 0.4656568), wk = 0.0018868 k( 232) = ( 0.0000000 0.0000000 0.4746118), wk = 0.0018868 k( 233) = ( 0.0000000 0.0000000 0.4835667), wk = 0.0018868 k( 234) = ( 0.0000000 0.0000000 0.4925216), wk = 0.0018868 k( 235) = ( 0.0000000 0.0000000 0.5014766), wk = 0.0018868 k( 236) = ( 0.0000000 0.0000000 0.5104315), wk = 0.0018868 k( 237) = ( 0.0000000 0.0000000 0.5104315), wk = 0.0018868 k( 238) = ( 0.0078125 0.0045105 0.5104315), wk = 0.0018868 k( 239) = ( 0.0156250 0.0090211 0.5104315), wk = 0.0018868 k( 240) = ( 0.0234375 0.0135316 0.5104315), wk = 0.0018868 k( 241) = ( 0.0312500 0.0180422 0.5104315), wk = 0.0018868 k( 242) = ( 0.0390625 0.0225527 0.5104315), wk = 0.0018868 k( 243) = ( 0.0468750 0.0270633 0.5104315), wk = 0.0018868 k( 244) = ( 0.0546875 0.0315738 0.5104315), wk = 0.0018868 k( 245) = ( 0.0625000 0.0360844 0.5104315), wk = 0.0018868 k( 246) = ( 0.0703125 0.0405949 0.5104315), wk = 0.0018868 k( 247) = ( 0.0781250 0.0451055 0.5104315), wk = 0.0018868 k( 248) = ( 0.0859375 0.0496160 0.5104315), wk = 0.0018868 k( 249) = ( 0.0937500 0.0541266 0.5104315), wk = 0.0018868 k( 250) = ( 0.1015625 0.0586371 0.5104315), wk = 0.0018868 k( 251) = ( 0.1093750 0.0631477 0.5104315), wk = 0.0018868 k( 252) = ( 0.1171875 0.0676582 0.5104315), wk = 0.0018868 k( 253) = ( 0.1250000 0.0721688 0.5104315), wk = 0.0018868 k( 254) = ( 0.1328125 0.0766793 0.5104315), wk = 0.0018868 k( 255) = ( 0.1406250 0.0811899 0.5104315), wk = 0.0018868 k( 256) = ( 0.1484375 0.0857004 0.5104315), wk = 0.0018868 k( 257) = ( 0.1562500 0.0902110 0.5104315), wk = 0.0018868 k( 258) = ( 0.1640625 0.0947215 0.5104315), wk = 0.0018868 k( 259) = ( 0.1718750 0.0992321 0.5104315), wk = 0.0018868 k( 260) = ( 0.1796875 0.1037426 0.5104315), wk = 0.0018868 k( 261) = ( 0.1875000 0.1082532 0.5104315), wk = 0.0018868 k( 262) = ( 0.1953125 0.1127637 0.5104315), wk = 0.0018868 k( 263) = ( 0.2031250 0.1172743 0.5104315), wk = 0.0018868 k( 264) = ( 0.2109375 0.1217848 0.5104315), wk = 0.0018868 k( 265) = ( 0.2187500 0.1262954 0.5104315), wk = 0.0018868 k( 266) = ( 0.2265625 0.1308059 0.5104315), wk = 0.0018868 k( 267) = ( 0.2343750 0.1353165 0.5104315), wk = 0.0018868 k( 268) = ( 0.2421875 0.1398270 0.5104315), wk = 0.0018868 k( 269) = ( 0.2500000 0.1443376 0.5104315), wk = 0.0018868 k( 270) = ( 0.2578125 0.1488481 0.5104315), wk = 0.0018868 k( 271) = ( 0.2656250 0.1533587 0.5104315), wk = 0.0018868 k( 272) = ( 0.2734375 0.1578692 0.5104315), wk = 0.0018868 k( 273) = ( 0.2812500 0.1623798 0.5104315), wk = 0.0018868 k( 274) = ( 0.2890625 0.1668903 0.5104315), wk = 0.0018868 k( 275) = ( 0.2968750 0.1714009 0.5104315), wk = 0.0018868 k( 276) = ( 0.3046875 0.1759114 0.5104315), wk = 0.0018868 k( 277) = ( 0.3125000 0.1804220 0.5104315), wk = 0.0018868 k( 278) = ( 0.3203125 0.1849325 0.5104315), wk = 0.0018868 k( 279) = ( 0.3281250 0.1894431 0.5104315), wk = 0.0018868 k( 280) = ( 0.3359375 0.1939536 0.5104315), wk = 0.0018868 k( 281) = ( 0.3437500 0.1984642 0.5104315), wk = 0.0018868 k( 282) = ( 0.3515625 0.2029747 0.5104315), wk = 0.0018868 k( 283) = ( 0.3593750 0.2074853 0.5104315), wk = 0.0018868 k( 284) = ( 0.3671875 0.2119958 0.5104315), wk = 0.0018868 k( 285) = ( 0.3750000 0.2165064 0.5104315), wk = 0.0018868 k( 286) = ( 0.3828125 0.2210169 0.5104315), wk = 0.0018868 k( 287) = ( 0.3906250 0.2255274 0.5104315), wk = 0.0018868 k( 288) = ( 0.3984375 0.2300380 0.5104315), wk = 0.0018868 k( 289) = ( 0.4062500 0.2345485 0.5104315), wk = 0.0018868 k( 290) = ( 0.4140625 0.2390591 0.5104315), wk = 0.0018868 k( 291) = ( 0.4218750 0.2435696 0.5104315), wk = 0.0018868 k( 292) = ( 0.4296875 0.2480802 0.5104315), wk = 0.0018868 k( 293) = ( 0.4375000 0.2525907 0.5104315), wk = 0.0018868 k( 294) = ( 0.4453125 0.2571013 0.5104315), wk = 0.0018868 k( 295) = ( 0.4531250 0.2616118 0.5104315), wk = 0.0018868 k( 296) = ( 0.4609375 0.2661224 0.5104315), wk = 0.0018868 k( 297) = ( 0.4687500 0.2706329 0.5104315), wk = 0.0018868 k( 298) = ( 0.4765625 0.2751435 0.5104315), wk = 0.0018868 k( 299) = ( 0.4843750 0.2796540 0.5104315), wk = 0.0018868 k( 300) = ( 0.4921875 0.2841646 0.5104315), wk = 0.0018868 k( 301) = ( 0.5000000 0.2886751 0.5104315), wk = 0.0018868 k( 302) = ( 0.5000000 0.2886751 0.5104315), wk = 0.0018868 k( 303) = ( 0.4954955 0.2964772 0.5104315), wk = 0.0018868 k( 304) = ( 0.4909910 0.3042792 0.5104315), wk = 0.0018868 k( 305) = ( 0.4864865 0.3120812 0.5104315), wk = 0.0018868 k( 306) = ( 0.4819820 0.3198833 0.5104315), wk = 0.0018868 k( 307) = ( 0.4774775 0.3276853 0.5104315), wk = 0.0018868 k( 308) = ( 0.4729730 0.3354873 0.5104315), wk = 0.0018868 k( 309) = ( 0.4684685 0.3432893 0.5104315), wk = 0.0018868 k( 310) = ( 0.4639640 0.3510914 0.5104315), wk = 0.0018868 k( 311) = ( 0.4594595 0.3588934 0.5104315), wk = 0.0018868 k( 312) = ( 0.4549550 0.3666954 0.5104315), wk = 0.0018868 k( 313) = ( 0.4504505 0.3744975 0.5104315), wk = 0.0018868 k( 314) = ( 0.4459459 0.3822995 0.5104315), wk = 0.0018868 k( 315) = ( 0.4414414 0.3901015 0.5104315), wk = 0.0018868 k( 316) = ( 0.4369369 0.3979036 0.5104315), wk = 0.0018868 k( 317) = ( 0.4324324 0.4057056 0.5104315), wk = 0.0018868 k( 318) = ( 0.4279279 0.4135076 0.5104315), wk = 0.0018868 k( 319) = ( 0.4234234 0.4213097 0.5104315), wk = 0.0018868 k( 320) = ( 0.4189189 0.4291117 0.5104315), wk = 0.0018868 k( 321) = ( 0.4144144 0.4369137 0.5104315), wk = 0.0018868 k( 322) = ( 0.4099099 0.4447157 0.5104315), wk = 0.0018868 k( 323) = ( 0.4054054 0.4525178 0.5104315), wk = 0.0018868 k( 324) = ( 0.4009009 0.4603198 0.5104315), wk = 0.0018868 k( 325) = ( 0.3963964 0.4681218 0.5104315), wk = 0.0018868 k( 326) = ( 0.3918919 0.4759239 0.5104315), wk = 0.0018868 k( 327) = ( 0.3873874 0.4837259 0.5104315), wk = 0.0018868 k( 328) = ( 0.3828829 0.4915279 0.5104315), wk = 0.0018868 k( 329) = ( 0.3783784 0.4993300 0.5104315), wk = 0.0018868 k( 330) = ( 0.3738739 0.5071320 0.5104315), wk = 0.0018868 k( 331) = ( 0.3693694 0.5149340 0.5104315), wk = 0.0018868 k( 332) = ( 0.3648649 0.5227361 0.5104315), wk = 0.0018868 k( 333) = ( 0.3603604 0.5305381 0.5104315), wk = 0.0018868 k( 334) = ( 0.3558559 0.5383401 0.5104315), wk = 0.0018868 k( 335) = ( 0.3513514 0.5461421 0.5104315), wk = 0.0018868 k( 336) = ( 0.3468468 0.5539442 0.5104315), wk = 0.0018868 k( 337) = ( 0.3423423 0.5617462 0.5104315), wk = 0.0018868 k( 338) = ( 0.3378378 0.5695482 0.5104315), wk = 0.0018868 k( 339) = ( 0.3333333 0.5773503 0.5104315), wk = 0.0018868 k( 340) = ( 0.3333333 0.5773503 0.5104315), wk = 0.0018868 k( 341) = ( 0.3288288 0.5695482 0.5104315), wk = 0.0018868 k( 342) = ( 0.3243243 0.5617462 0.5104315), wk = 0.0018868 k( 343) = ( 0.3198198 0.5539442 0.5104315), wk = 0.0018868 k( 344) = ( 0.3153153 0.5461422 0.5104315), wk = 0.0018868 k( 345) = ( 0.3108108 0.5383401 0.5104315), wk = 0.0018868 k( 346) = ( 0.3063063 0.5305381 0.5104315), wk = 0.0018868 k( 347) = ( 0.3018018 0.5227361 0.5104315), wk = 0.0018868 k( 348) = ( 0.2972973 0.5149340 0.5104315), wk = 0.0018868 k( 349) = ( 0.2927928 0.5071320 0.5104315), wk = 0.0018868 k( 350) = ( 0.2882883 0.4993300 0.5104315), wk = 0.0018868 k( 351) = ( 0.2837838 0.4915279 0.5104315), wk = 0.0018868 k( 352) = ( 0.2792793 0.4837259 0.5104315), wk = 0.0018868 k( 353) = ( 0.2747748 0.4759239 0.5104315), wk = 0.0018868 k( 354) = ( 0.2702703 0.4681218 0.5104315), wk = 0.0018868 k( 355) = ( 0.2657658 0.4603198 0.5104315), wk = 0.0018868 k( 356) = ( 0.2612613 0.4525178 0.5104315), wk = 0.0018868 k( 357) = ( 0.2567568 0.4447158 0.5104315), wk = 0.0018868 k( 358) = ( 0.2522523 0.4369137 0.5104315), wk = 0.0018868 k( 359) = ( 0.2477477 0.4291117 0.5104315), wk = 0.0018868 k( 360) = ( 0.2432432 0.4213097 0.5104315), wk = 0.0018868 k( 361) = ( 0.2387387 0.4135076 0.5104315), wk = 0.0018868 k( 362) = ( 0.2342342 0.4057056 0.5104315), wk = 0.0018868 k( 363) = ( 0.2297297 0.3979036 0.5104315), wk = 0.0018868 k( 364) = ( 0.2252252 0.3901015 0.5104315), wk = 0.0018868 k( 365) = ( 0.2207207 0.3822995 0.5104315), wk = 0.0018868 k( 366) = ( 0.2162162 0.3744975 0.5104315), wk = 0.0018868 k( 367) = ( 0.2117117 0.3666954 0.5104315), wk = 0.0018868 k( 368) = ( 0.2072072 0.3588934 0.5104315), wk = 0.0018868 k( 369) = ( 0.2027027 0.3510914 0.5104315), wk = 0.0018868 k( 370) = ( 0.1981982 0.3432894 0.5104315), wk = 0.0018868 k( 371) = ( 0.1936937 0.3354873 0.5104315), wk = 0.0018868 k( 372) = ( 0.1891892 0.3276853 0.5104315), wk = 0.0018868 k( 373) = ( 0.1846847 0.3198832 0.5104315), wk = 0.0018868 k( 374) = ( 0.1801802 0.3120812 0.5104315), wk = 0.0018868 k( 375) = ( 0.1756757 0.3042792 0.5104315), wk = 0.0018868 k( 376) = ( 0.1711712 0.2964772 0.5104315), wk = 0.0018868 k( 377) = ( 0.1666667 0.2886751 0.5104315), wk = 0.0018868 k( 378) = ( 0.1621622 0.2808731 0.5104315), wk = 0.0018868 k( 379) = ( 0.1576577 0.2730711 0.5104315), wk = 0.0018868 k( 380) = ( 0.1531531 0.2652690 0.5104315), wk = 0.0018868 k( 381) = ( 0.1486486 0.2574670 0.5104315), wk = 0.0018868 k( 382) = ( 0.1441441 0.2496650 0.5104315), wk = 0.0018868 k( 383) = ( 0.1396396 0.2418630 0.5104315), wk = 0.0018868 k( 384) = ( 0.1351351 0.2340609 0.5104315), wk = 0.0018868 k( 385) = ( 0.1306306 0.2262589 0.5104315), wk = 0.0018868 k( 386) = ( 0.1261261 0.2184569 0.5104315), wk = 0.0018868 k( 387) = ( 0.1216216 0.2106548 0.5104315), wk = 0.0018868 k( 388) = ( 0.1171171 0.2028528 0.5104315), wk = 0.0018868 k( 389) = ( 0.1126126 0.1950508 0.5104315), wk = 0.0018868 k( 390) = ( 0.1081081 0.1872487 0.5104315), wk = 0.0018868 k( 391) = ( 0.1036036 0.1794467 0.5104315), wk = 0.0018868 k( 392) = ( 0.0990991 0.1716447 0.5104315), wk = 0.0018868 k( 393) = ( 0.0945946 0.1638426 0.5104315), wk = 0.0018868 k( 394) = ( 0.0900901 0.1560406 0.5104315), wk = 0.0018868 k( 395) = ( 0.0855856 0.1482386 0.5104315), wk = 0.0018868 k( 396) = ( 0.0810811 0.1404366 0.5104315), wk = 0.0018868 k( 397) = ( 0.0765766 0.1326345 0.5104315), wk = 0.0018868 k( 398) = ( 0.0720721 0.1248325 0.5104315), wk = 0.0018868 k( 399) = ( 0.0675676 0.1170305 0.5104315), wk = 0.0018868 k( 400) = ( 0.0630631 0.1092284 0.5104315), wk = 0.0018868 k( 401) = ( 0.0585586 0.1014264 0.5104315), wk = 0.0018868 k( 402) = ( 0.0540540 0.0936244 0.5104315), wk = 0.0018868 k( 403) = ( 0.0495495 0.0858223 0.5104315), wk = 0.0018868 k( 404) = ( 0.0450451 0.0780203 0.5104315), wk = 0.0018868 k( 405) = ( 0.0405405 0.0702183 0.5104315), wk = 0.0018868 k( 406) = ( 0.0360360 0.0624163 0.5104315), wk = 0.0018868 k( 407) = ( 0.0315315 0.0546142 0.5104315), wk = 0.0018868 k( 408) = ( 0.0270270 0.0468122 0.5104315), wk = 0.0018868 k( 409) = ( 0.0225225 0.0390101 0.5104315), wk = 0.0018868 k( 410) = ( 0.0180180 0.0312081 0.5104315), wk = 0.0018868 k( 411) = ( 0.0135135 0.0234061 0.5104315), wk = 0.0018868 k( 412) = ( 0.0090090 0.0156041 0.5104315), wk = 0.0018868 k( 413) = ( 0.0045045 0.0078020 0.5104315), wk = 0.0018868 k( 414) = ( 0.0000000 0.0000000 0.5104315), wk = 0.0018868 k( 415) = ( 0.5000000 0.2886751 0.5104315), wk = 0.0018868 k( 416) = ( 0.5000000 0.2886751 0.5014766), wk = 0.0018868 k( 417) = ( 0.5000000 0.2886751 0.4925216), wk = 0.0018868 k( 418) = ( 0.5000000 0.2886751 0.4835667), wk = 0.0018868 k( 419) = ( 0.5000000 0.2886751 0.4746118), wk = 0.0018868 k( 420) = ( 0.5000000 0.2886751 0.4656568), wk = 0.0018868 k( 421) = ( 0.5000000 0.2886751 0.4567019), wk = 0.0018868 k( 422) = ( 0.5000000 0.2886751 0.4477470), wk = 0.0018868 k( 423) = ( 0.5000000 0.2886751 0.4387920), wk = 0.0018868 k( 424) = ( 0.5000000 0.2886751 0.4298371), wk = 0.0018868 k( 425) = ( 0.5000000 0.2886751 0.4208821), wk = 0.0018868 k( 426) = ( 0.5000000 0.2886751 0.4119272), wk = 0.0018868 k( 427) = ( 0.5000000 0.2886751 0.4029723), wk = 0.0018868 k( 428) = ( 0.5000000 0.2886751 0.3940173), wk = 0.0018868 k( 429) = ( 0.5000000 0.2886751 0.3850624), wk = 0.0018868 k( 430) = ( 0.5000000 0.2886751 0.3761074), wk = 0.0018868 k( 431) = ( 0.5000000 0.2886751 0.3671525), wk = 0.0018868 k( 432) = ( 0.5000000 0.2886751 0.3581976), wk = 0.0018868 k( 433) = ( 0.5000000 0.2886751 0.3492426), wk = 0.0018868 k( 434) = ( 0.5000000 0.2886751 0.3402877), wk = 0.0018868 k( 435) = ( 0.5000000 0.2886751 0.3313327), wk = 0.0018868 k( 436) = ( 0.5000000 0.2886751 0.3223778), wk = 0.0018868 k( 437) = ( 0.5000000 0.2886751 0.3134229), wk = 0.0018868 k( 438) = ( 0.5000000 0.2886751 0.3044679), wk = 0.0018868 k( 439) = ( 0.5000000 0.2886751 0.2955130), wk = 0.0018868 k( 440) = ( 0.5000000 0.2886751 0.2865580), wk = 0.0018868 k( 441) = ( 0.5000000 0.2886751 0.2776031), wk = 0.0018868 k( 442) = ( 0.5000000 0.2886751 0.2686482), wk = 0.0018868 k( 443) = ( 0.5000000 0.2886751 0.2596932), wk = 0.0018868 k( 444) = ( 0.5000000 0.2886751 0.2507383), wk = 0.0018868 k( 445) = ( 0.5000000 0.2886751 0.2417834), wk = 0.0018868 k( 446) = ( 0.5000000 0.2886751 0.2328284), wk = 0.0018868 k( 447) = ( 0.5000000 0.2886751 0.2238735), wk = 0.0018868 k( 448) = ( 0.5000000 0.2886751 0.2149185), wk = 0.0018868 k( 449) = ( 0.5000000 0.2886751 0.2059636), wk = 0.0018868 k( 450) = ( 0.5000000 0.2886751 0.1970087), wk = 0.0018868 k( 451) = ( 0.5000000 0.2886751 0.1880537), wk = 0.0018868 k( 452) = ( 0.5000000 0.2886751 0.1790988), wk = 0.0018868 k( 453) = ( 0.5000000 0.2886751 0.1701438), wk = 0.0018868 k( 454) = ( 0.5000000 0.2886751 0.1611889), wk = 0.0018868 k( 455) = ( 0.5000000 0.2886751 0.1522340), wk = 0.0018868 k( 456) = ( 0.5000000 0.2886751 0.1432790), wk = 0.0018868 k( 457) = ( 0.5000000 0.2886751 0.1343241), wk = 0.0018868 k( 458) = ( 0.5000000 0.2886751 0.1253691), wk = 0.0018868 k( 459) = ( 0.5000000 0.2886751 0.1164142), wk = 0.0018868 k( 460) = ( 0.5000000 0.2886751 0.1074593), wk = 0.0018868 k( 461) = ( 0.5000000 0.2886751 0.0985043), wk = 0.0018868 k( 462) = ( 0.5000000 0.2886751 0.0895494), wk = 0.0018868 k( 463) = ( 0.5000000 0.2886751 0.0805945), wk = 0.0018868 k( 464) = ( 0.5000000 0.2886751 0.0716395), wk = 0.0018868 k( 465) = ( 0.5000000 0.2886751 0.0626846), wk = 0.0018868 k( 466) = ( 0.5000000 0.2886751 0.0537296), wk = 0.0018868 k( 467) = ( 0.5000000 0.2886751 0.0447747), wk = 0.0018868 k( 468) = ( 0.5000000 0.2886751 0.0358198), wk = 0.0018868 k( 469) = ( 0.5000000 0.2886751 0.0268648), wk = 0.0018868 k( 470) = ( 0.5000000 0.2886751 0.0179099), wk = 0.0018868 k( 471) = ( 0.5000000 0.2886751 0.0089549), wk = 0.0018868 k( 472) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0018868 k( 473) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0018868 k( 474) = ( 0.3333333 0.5773503 0.0089549), wk = 0.0018868 k( 475) = ( 0.3333333 0.5773503 0.0179099), wk = 0.0018868 k( 476) = ( 0.3333333 0.5773503 0.0268648), wk = 0.0018868 k( 477) = ( 0.3333333 0.5773503 0.0358198), wk = 0.0018868 k( 478) = ( 0.3333333 0.5773503 0.0447747), wk = 0.0018868 k( 479) = ( 0.3333333 0.5773503 0.0537296), wk = 0.0018868 k( 480) = ( 0.3333333 0.5773503 0.0626846), wk = 0.0018868 k( 481) = ( 0.3333333 0.5773503 0.0716395), wk = 0.0018868 k( 482) = ( 0.3333333 0.5773503 0.0805945), wk = 0.0018868 k( 483) = ( 0.3333333 0.5773503 0.0895494), wk = 0.0018868 k( 484) = ( 0.3333333 0.5773503 0.0985043), wk = 0.0018868 k( 485) = ( 0.3333333 0.5773503 0.1074593), wk = 0.0018868 k( 486) = ( 0.3333333 0.5773503 0.1164142), wk = 0.0018868 k( 487) = ( 0.3333333 0.5773503 0.1253691), wk = 0.0018868 k( 488) = ( 0.3333333 0.5773503 0.1343241), wk = 0.0018868 k( 489) = ( 0.3333333 0.5773503 0.1432790), wk = 0.0018868 k( 490) = ( 0.3333333 0.5773503 0.1522340), wk = 0.0018868 k( 491) = ( 0.3333333 0.5773503 0.1611889), wk = 0.0018868 k( 492) = ( 0.3333333 0.5773503 0.1701438), wk = 0.0018868 k( 493) = ( 0.3333333 0.5773503 0.1790988), wk = 0.0018868 k( 494) = ( 0.3333333 0.5773503 0.1880537), wk = 0.0018868 k( 495) = ( 0.3333333 0.5773503 0.1970087), wk = 0.0018868 k( 496) = ( 0.3333333 0.5773503 0.2059636), wk = 0.0018868 k( 497) = ( 0.3333333 0.5773503 0.2149185), wk = 0.0018868 k( 498) = ( 0.3333333 0.5773503 0.2238735), wk = 0.0018868 k( 499) = ( 0.3333333 0.5773503 0.2328284), wk = 0.0018868 k( 500) = ( 0.3333333 0.5773503 0.2417834), wk = 0.0018868 k( 501) = ( 0.3333333 0.5773503 0.2507383), wk = 0.0018868 k( 502) = ( 0.3333333 0.5773503 0.2596932), wk = 0.0018868 k( 503) = ( 0.3333333 0.5773503 0.2686482), wk = 0.0018868 k( 504) = ( 0.3333333 0.5773503 0.2776031), wk = 0.0018868 k( 505) = ( 0.3333333 0.5773503 0.2865580), wk = 0.0018868 k( 506) = ( 0.3333333 0.5773503 0.2955130), wk = 0.0018868 k( 507) = ( 0.3333333 0.5773503 0.3044679), wk = 0.0018868 k( 508) = ( 0.3333333 0.5773503 0.3134229), wk = 0.0018868 k( 509) = ( 0.3333333 0.5773503 0.3223778), wk = 0.0018868 k( 510) = ( 0.3333333 0.5773503 0.3313327), wk = 0.0018868 k( 511) = ( 0.3333333 0.5773503 0.3402877), wk = 0.0018868 k( 512) = ( 0.3333333 0.5773503 0.3492426), wk = 0.0018868 k( 513) = ( 0.3333333 0.5773503 0.3581976), wk = 0.0018868 k( 514) = ( 0.3333333 0.5773503 0.3671525), wk = 0.0018868 k( 515) = ( 0.3333333 0.5773503 0.3761074), wk = 0.0018868 k( 516) = ( 0.3333333 0.5773503 0.3850624), wk = 0.0018868 k( 517) = ( 0.3333333 0.5773503 0.3940173), wk = 0.0018868 k( 518) = ( 0.3333333 0.5773503 0.4029723), wk = 0.0018868 k( 519) = ( 0.3333333 0.5773503 0.4119272), wk = 0.0018868 k( 520) = ( 0.3333333 0.5773503 0.4208821), wk = 0.0018868 k( 521) = ( 0.3333333 0.5773503 0.4298371), wk = 0.0018868 k( 522) = ( 0.3333333 0.5773503 0.4387920), wk = 0.0018868 k( 523) = ( 0.3333333 0.5773503 0.4477470), wk = 0.0018868 k( 524) = ( 0.3333333 0.5773503 0.4567019), wk = 0.0018868 k( 525) = ( 0.3333333 0.5773503 0.4656568), wk = 0.0018868 k( 526) = ( 0.3333333 0.5773503 0.4746118), wk = 0.0018868 k( 527) = ( 0.3333333 0.5773503 0.4835667), wk = 0.0018868 k( 528) = ( 0.3333333 0.5773503 0.4925216), wk = 0.0018868 k( 529) = ( 0.3333333 0.5773503 0.5014766), wk = 0.0018868 k( 530) = ( 0.3333333 0.5773503 0.5104315), wk = 0.0018868 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018868 k( 2) = ( 0.0078125 -0.0000000 -0.0000000), wk = 0.0018868 k( 3) = ( 0.0156250 -0.0000000 -0.0000000), wk = 0.0018868 k( 4) = ( 0.0234375 -0.0000000 -0.0000000), wk = 0.0018868 k( 5) = ( 0.0312500 -0.0000000 -0.0000000), wk = 0.0018868 k( 6) = ( 0.0390625 -0.0000000 0.0000000), wk = 0.0018868 k( 7) = ( 0.0468750 -0.0000000 -0.0000000), wk = 0.0018868 k( 8) = ( 0.0546875 -0.0000000 -0.0000000), wk = 0.0018868 k( 9) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0018868 k( 10) = ( 0.0703125 -0.0000000 -0.0000000), wk = 0.0018868 k( 11) = ( 0.0781250 -0.0000000 0.0000000), wk = 0.0018868 k( 12) = ( 0.0859375 -0.0000000 -0.0000000), wk = 0.0018868 k( 13) = ( 0.0937500 -0.0000000 -0.0000000), wk = 0.0018868 k( 14) = ( 0.1015625 -0.0000000 -0.0000000), wk = 0.0018868 k( 15) = ( 0.1093750 -0.0000000 -0.0000000), wk = 0.0018868 k( 16) = ( 0.1171875 -0.0000000 -0.0000000), wk = 0.0018868 k( 17) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0018868 k( 18) = ( 0.1328125 -0.0000000 0.0000000), wk = 0.0018868 k( 19) = ( 0.1406250 -0.0000000 -0.0000000), wk = 0.0018868 k( 20) = ( 0.1484375 -0.0000000 -0.0000000), wk = 0.0018868 k( 21) = ( 0.1562500 -0.0000000 0.0000000), wk = 0.0018868 k( 22) = ( 0.1640625 -0.0000000 0.0000000), wk = 0.0018868 k( 23) = ( 0.1718750 -0.0000000 -0.0000000), wk = 0.0018868 k( 24) = ( 0.1796875 -0.0000000 -0.0000000), wk = 0.0018868 k( 25) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0018868 k( 26) = ( 0.1953125 -0.0000000 -0.0000000), wk = 0.0018868 k( 27) = ( 0.2031250 -0.0000000 -0.0000000), wk = 0.0018868 k( 28) = ( 0.2109375 -0.0000000 -0.0000000), wk = 0.0018868 k( 29) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0018868 k( 30) = ( 0.2265625 -0.0000000 -0.0000000), wk = 0.0018868 k( 31) = ( 0.2343750 -0.0000000 -0.0000000), wk = 0.0018868 k( 32) = ( 0.2421875 -0.0000000 -0.0000000), wk = 0.0018868 k( 33) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0018868 k( 34) = ( 0.2578125 -0.0000000 -0.0000000), wk = 0.0018868 k( 35) = ( 0.2656250 -0.0000000 0.0000000), wk = 0.0018868 k( 36) = ( 0.2734375 -0.0000000 -0.0000000), wk = 0.0018868 k( 37) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0018868 k( 38) = ( 0.2890625 0.0000000 -0.0000000), wk = 0.0018868 k( 39) = ( 0.2968750 -0.0000000 -0.0000000), wk = 0.0018868 k( 40) = ( 0.3046875 -0.0000000 -0.0000000), wk = 0.0018868 k( 41) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0018868 k( 42) = ( 0.3203125 -0.0000000 0.0000000), wk = 0.0018868 k( 43) = ( 0.3281250 -0.0000000 0.0000000), wk = 0.0018868 k( 44) = ( 0.3359375 -0.0000000 -0.0000000), wk = 0.0018868 k( 45) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0018868 k( 46) = ( 0.3515625 -0.0000000 -0.0000000), wk = 0.0018868 k( 47) = ( 0.3593750 -0.0000000 -0.0000000), wk = 0.0018868 k( 48) = ( 0.3671875 -0.0000000 0.0000000), wk = 0.0018868 k( 49) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0018868 k( 50) = ( 0.3828125 -0.0000000 -0.0000000), wk = 0.0018868 k( 51) = ( 0.3906250 -0.0000000 -0.0000000), wk = 0.0018868 k( 52) = ( 0.3984375 -0.0000000 -0.0000000), wk = 0.0018868 k( 53) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0018868 k( 54) = ( 0.4140625 -0.0000000 -0.0000000), wk = 0.0018868 k( 55) = ( 0.4218750 -0.0000000 -0.0000000), wk = 0.0018868 k( 56) = ( 0.4296875 -0.0000000 -0.0000000), wk = 0.0018868 k( 57) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0018868 k( 58) = ( 0.4453125 -0.0000000 -0.0000000), wk = 0.0018868 k( 59) = ( 0.4531250 -0.0000000 -0.0000000), wk = 0.0018868 k( 60) = ( 0.4609375 -0.0000000 -0.0000000), wk = 0.0018868 k( 61) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0018868 k( 62) = ( 0.4765625 -0.0000000 0.0000000), wk = 0.0018868 k( 63) = ( 0.4843750 -0.0000000 -0.0000000), wk = 0.0018868 k( 64) = ( 0.4921875 -0.0000000 0.0000000), wk = 0.0018868 k( 65) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018868 k( 66) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018868 k( 67) = ( 0.4954955 0.0090090 -0.0000000), wk = 0.0018868 k( 68) = ( 0.4909910 0.0180180 0.0000000), wk = 0.0018868 k( 69) = ( 0.4864865 0.0270270 -0.0000000), wk = 0.0018868 k( 70) = ( 0.4819820 0.0360360 -0.0000000), wk = 0.0018868 k( 71) = ( 0.4774775 0.0450450 -0.0000000), wk = 0.0018868 k( 72) = ( 0.4729730 0.0540540 -0.0000000), wk = 0.0018868 k( 73) = ( 0.4684685 0.0630631 -0.0000000), wk = 0.0018868 k( 74) = ( 0.4639640 0.0720721 -0.0000000), wk = 0.0018868 k( 75) = ( 0.4594595 0.0810811 -0.0000000), wk = 0.0018868 k( 76) = ( 0.4549550 0.0900901 -0.0000000), wk = 0.0018868 k( 77) = ( 0.4504505 0.0990991 -0.0000000), wk = 0.0018868 k( 78) = ( 0.4459459 0.1081081 -0.0000000), wk = 0.0018868 k( 79) = ( 0.4414414 0.1171171 -0.0000000), wk = 0.0018868 k( 80) = ( 0.4369369 0.1261261 0.0000000), wk = 0.0018868 k( 81) = ( 0.4324324 0.1351351 -0.0000000), wk = 0.0018868 k( 82) = ( 0.4279279 0.1441441 -0.0000000), wk = 0.0018868 k( 83) = ( 0.4234234 0.1531531 -0.0000000), wk = 0.0018868 k( 84) = ( 0.4189189 0.1621622 -0.0000000), wk = 0.0018868 k( 85) = ( 0.4144144 0.1711712 -0.0000000), wk = 0.0018868 k( 86) = ( 0.4099099 0.1801802 0.0000000), wk = 0.0018868 k( 87) = ( 0.4054054 0.1891892 -0.0000000), wk = 0.0018868 k( 88) = ( 0.4009009 0.1981982 -0.0000000), wk = 0.0018868 k( 89) = ( 0.3963964 0.2072072 0.0000000), wk = 0.0018868 k( 90) = ( 0.3918919 0.2162162 -0.0000000), wk = 0.0018868 k( 91) = ( 0.3873874 0.2252252 -0.0000000), wk = 0.0018868 k( 92) = ( 0.3828829 0.2342342 0.0000000), wk = 0.0018868 k( 93) = ( 0.3783784 0.2432432 -0.0000000), wk = 0.0018868 k( 94) = ( 0.3738739 0.2522522 0.0000000), wk = 0.0018868 k( 95) = ( 0.3693694 0.2612613 0.0000000), wk = 0.0018868 k( 96) = ( 0.3648649 0.2702703 -0.0000000), wk = 0.0018868 k( 97) = ( 0.3603604 0.2792793 -0.0000000), wk = 0.0018868 k( 98) = ( 0.3558559 0.2882883 0.0000000), wk = 0.0018868 k( 99) = ( 0.3513514 0.2972973 -0.0000000), wk = 0.0018868 k( 100) = ( 0.3468468 0.3063063 -0.0000000), wk = 0.0018868 k( 101) = ( 0.3423423 0.3153153 -0.0000000), wk = 0.0018868 k( 102) = ( 0.3378378 0.3243243 0.0000000), wk = 0.0018868 k( 103) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0018868 k( 104) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0018868 k( 105) = ( 0.3288288 0.3288288 -0.0000000), wk = 0.0018868 k( 106) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0018868 k( 107) = ( 0.3198198 0.3198198 -0.0000000), wk = 0.0018868 k( 108) = ( 0.3153153 0.3153153 0.0000000), wk = 0.0018868 k( 109) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0018868 k( 110) = ( 0.3063063 0.3063063 -0.0000000), wk = 0.0018868 k( 111) = ( 0.3018018 0.3018018 -0.0000000), wk = 0.0018868 k( 112) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0018868 k( 113) = ( 0.2927928 0.2927928 0.0000000), wk = 0.0018868 k( 114) = ( 0.2882883 0.2882883 -0.0000000), wk = 0.0018868 k( 115) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0018868 k( 116) = ( 0.2792793 0.2792793 -0.0000000), wk = 0.0018868 k( 117) = ( 0.2747748 0.2747748 -0.0000000), wk = 0.0018868 k( 118) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0018868 k( 119) = ( 0.2657658 0.2657658 -0.0000000), wk = 0.0018868 k( 120) = ( 0.2612613 0.2612613 -0.0000000), wk = 0.0018868 k( 121) = ( 0.2567568 0.2567568 -0.0000000), wk = 0.0018868 k( 122) = ( 0.2522523 0.2522522 -0.0000000), wk = 0.0018868 k( 123) = ( 0.2477477 0.2477477 -0.0000000), wk = 0.0018868 k( 124) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0018868 k( 125) = ( 0.2387387 0.2387387 -0.0000000), wk = 0.0018868 k( 126) = ( 0.2342342 0.2342342 -0.0000000), wk = 0.0018868 k( 127) = ( 0.2297297 0.2297297 0.0000000), wk = 0.0018868 k( 128) = ( 0.2252252 0.2252252 0.0000000), wk = 0.0018868 k( 129) = ( 0.2207207 0.2207207 -0.0000000), wk = 0.0018868 k( 130) = ( 0.2162162 0.2162162 0.0000000), wk = 0.0018868 k( 131) = ( 0.2117117 0.2117117 -0.0000000), wk = 0.0018868 k( 132) = ( 0.2072072 0.2072072 -0.0000000), wk = 0.0018868 k( 133) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0018868 k( 134) = ( 0.1981982 0.1981982 -0.0000000), wk = 0.0018868 k( 135) = ( 0.1936937 0.1936937 -0.0000000), wk = 0.0018868 k( 136) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0018868 k( 137) = ( 0.1846847 0.1846847 0.0000000), wk = 0.0018868 k( 138) = ( 0.1801802 0.1801802 0.0000000), wk = 0.0018868 k( 139) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0018868 k( 140) = ( 0.1711712 0.1711712 -0.0000000), wk = 0.0018868 k( 141) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0018868 k( 142) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0018868 k( 143) = ( 0.1576577 0.1576577 0.0000000), wk = 0.0018868 k( 144) = ( 0.1531531 0.1531531 -0.0000000), wk = 0.0018868 k( 145) = ( 0.1486486 0.1486486 -0.0000000), wk = 0.0018868 k( 146) = ( 0.1441441 0.1441441 0.0000000), wk = 0.0018868 k( 147) = ( 0.1396396 0.1396396 -0.0000000), wk = 0.0018868 k( 148) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0018868 k( 149) = ( 0.1306306 0.1306306 -0.0000000), wk = 0.0018868 k( 150) = ( 0.1261261 0.1261261 0.0000000), wk = 0.0018868 k( 151) = ( 0.1216216 0.1216216 0.0000000), wk = 0.0018868 k( 152) = ( 0.1171171 0.1171171 -0.0000000), wk = 0.0018868 k( 153) = ( 0.1126126 0.1126126 -0.0000000), wk = 0.0018868 k( 154) = ( 0.1081081 0.1081081 0.0000000), wk = 0.0018868 k( 155) = ( 0.1036036 0.1036036 0.0000000), wk = 0.0018868 k( 156) = ( 0.0990991 0.0990991 -0.0000000), wk = 0.0018868 k( 157) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0018868 k( 158) = ( 0.0900901 0.0900901 0.0000000), wk = 0.0018868 k( 159) = ( 0.0855856 0.0855856 0.0000000), wk = 0.0018868 k( 160) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0018868 k( 161) = ( 0.0765766 0.0765766 -0.0000000), wk = 0.0018868 k( 162) = ( 0.0720721 0.0720721 0.0000000), wk = 0.0018868 k( 163) = ( 0.0675676 0.0675676 -0.0000000), wk = 0.0018868 k( 164) = ( 0.0630631 0.0630631 -0.0000000), wk = 0.0018868 k( 165) = ( 0.0585586 0.0585586 -0.0000000), wk = 0.0018868 k( 166) = ( 0.0540540 0.0540540 -0.0000000), wk = 0.0018868 k( 167) = ( 0.0495495 0.0495495 -0.0000000), wk = 0.0018868 k( 168) = ( 0.0450451 0.0450450 -0.0000000), wk = 0.0018868 k( 169) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0018868 k( 170) = ( 0.0360360 0.0360360 -0.0000000), wk = 0.0018868 k( 171) = ( 0.0315315 0.0315315 -0.0000000), wk = 0.0018868 k( 172) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0018868 k( 173) = ( 0.0225225 0.0225225 -0.0000000), wk = 0.0018868 k( 174) = ( 0.0180180 0.0180180 -0.0000000), wk = 0.0018868 k( 175) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0018868 k( 176) = ( 0.0090090 0.0090090 -0.0000000), wk = 0.0018868 k( 177) = ( 0.0045045 0.0045045 -0.0000000), wk = 0.0018868 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018868 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018868 k( 180) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0018868 k( 181) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0018868 k( 182) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0018868 k( 183) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0018868 k( 184) = ( 0.0000000 0.0000000 0.0438597), wk = 0.0018868 k( 185) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0018868 k( 186) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0018868 k( 187) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0018868 k( 188) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0018868 k( 189) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0018868 k( 190) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0018868 k( 191) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0018868 k( 192) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0018868 k( 193) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0018868 k( 194) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0018868 k( 195) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0018868 k( 196) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0018868 k( 197) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0018868 k( 198) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0018868 k( 199) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0018868 k( 200) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0018868 k( 201) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0018868 k( 202) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0018868 k( 203) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0018868 k( 204) = ( 0.0000000 0.0000000 0.2192983), wk = 0.0018868 k( 205) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0018868 k( 206) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0018868 k( 207) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0018868 k( 208) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0018868 k( 209) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0018868 k( 210) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0018868 k( 211) = ( 0.0000000 0.0000000 0.2807018), wk = 0.0018868 k( 212) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0018868 k( 213) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0018868 k( 214) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0018868 k( 215) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0018868 k( 216) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0018868 k( 217) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0018868 k( 218) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0018868 k( 219) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0018868 k( 220) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0018868 k( 221) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0018868 k( 222) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0018868 k( 223) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0018868 k( 224) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0018868 k( 225) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0018868 k( 226) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0018868 k( 227) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0018868 k( 228) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0018868 k( 229) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0018868 k( 230) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0018868 k( 231) = ( 0.0000000 0.0000000 0.4561404), wk = 0.0018868 k( 232) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0018868 k( 233) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0018868 k( 234) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0018868 k( 235) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0018868 k( 236) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018868 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018868 k( 238) = ( 0.0078125 -0.0000000 0.5000000), wk = 0.0018868 k( 239) = ( 0.0156250 -0.0000000 0.5000000), wk = 0.0018868 k( 240) = ( 0.0234375 -0.0000000 0.5000000), wk = 0.0018868 k( 241) = ( 0.0312500 -0.0000000 0.5000000), wk = 0.0018868 k( 242) = ( 0.0390625 -0.0000000 0.5000000), wk = 0.0018868 k( 243) = ( 0.0468750 -0.0000000 0.5000000), wk = 0.0018868 k( 244) = ( 0.0546875 -0.0000000 0.5000000), wk = 0.0018868 k( 245) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0018868 k( 246) = ( 0.0703125 -0.0000000 0.5000000), wk = 0.0018868 k( 247) = ( 0.0781250 -0.0000000 0.5000000), wk = 0.0018868 k( 248) = ( 0.0859375 -0.0000000 0.5000000), wk = 0.0018868 k( 249) = ( 0.0937500 -0.0000000 0.5000000), wk = 0.0018868 k( 250) = ( 0.1015625 -0.0000000 0.5000000), wk = 0.0018868 k( 251) = ( 0.1093750 -0.0000000 0.5000000), wk = 0.0018868 k( 252) = ( 0.1171875 -0.0000000 0.5000000), wk = 0.0018868 k( 253) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0018868 k( 254) = ( 0.1328125 -0.0000000 0.5000000), wk = 0.0018868 k( 255) = ( 0.1406250 -0.0000000 0.5000000), wk = 0.0018868 k( 256) = ( 0.1484375 -0.0000000 0.5000000), wk = 0.0018868 k( 257) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0018868 k( 258) = ( 0.1640625 -0.0000000 0.5000000), wk = 0.0018868 k( 259) = ( 0.1718750 -0.0000000 0.5000000), wk = 0.0018868 k( 260) = ( 0.1796875 -0.0000000 0.5000000), wk = 0.0018868 k( 261) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0018868 k( 262) = ( 0.1953125 -0.0000000 0.5000000), wk = 0.0018868 k( 263) = ( 0.2031250 -0.0000000 0.5000000), wk = 0.0018868 k( 264) = ( 0.2109375 -0.0000000 0.5000000), wk = 0.0018868 k( 265) = ( 0.2187500 -0.0000000 0.5000000), wk = 0.0018868 k( 266) = ( 0.2265625 -0.0000000 0.5000000), wk = 0.0018868 k( 267) = ( 0.2343750 -0.0000000 0.5000000), wk = 0.0018868 k( 268) = ( 0.2421875 -0.0000000 0.5000000), wk = 0.0018868 k( 269) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0018868 k( 270) = ( 0.2578125 -0.0000000 0.5000000), wk = 0.0018868 k( 271) = ( 0.2656250 -0.0000000 0.5000000), wk = 0.0018868 k( 272) = ( 0.2734375 -0.0000000 0.5000000), wk = 0.0018868 k( 273) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0018868 k( 274) = ( 0.2890625 0.0000000 0.5000000), wk = 0.0018868 k( 275) = ( 0.2968750 -0.0000000 0.5000000), wk = 0.0018868 k( 276) = ( 0.3046875 -0.0000000 0.5000000), wk = 0.0018868 k( 277) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0018868 k( 278) = ( 0.3203125 -0.0000000 0.5000000), wk = 0.0018868 k( 279) = ( 0.3281250 -0.0000000 0.5000000), wk = 0.0018868 k( 280) = ( 0.3359375 -0.0000000 0.5000000), wk = 0.0018868 k( 281) = ( 0.3437500 -0.0000000 0.5000000), wk = 0.0018868 k( 282) = ( 0.3515625 -0.0000000 0.5000000), wk = 0.0018868 k( 283) = ( 0.3593750 -0.0000000 0.5000000), wk = 0.0018868 k( 284) = ( 0.3671875 -0.0000000 0.5000000), wk = 0.0018868 k( 285) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0018868 k( 286) = ( 0.3828125 -0.0000000 0.5000000), wk = 0.0018868 k( 287) = ( 0.3906250 -0.0000000 0.5000000), wk = 0.0018868 k( 288) = ( 0.3984375 -0.0000000 0.5000000), wk = 0.0018868 k( 289) = ( 0.4062500 -0.0000000 0.5000000), wk = 0.0018868 k( 290) = ( 0.4140625 -0.0000000 0.5000000), wk = 0.0018868 k( 291) = ( 0.4218750 -0.0000000 0.5000000), wk = 0.0018868 k( 292) = ( 0.4296875 -0.0000000 0.5000000), wk = 0.0018868 k( 293) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0018868 k( 294) = ( 0.4453125 -0.0000000 0.5000000), wk = 0.0018868 k( 295) = ( 0.4531250 -0.0000000 0.5000000), wk = 0.0018868 k( 296) = ( 0.4609375 -0.0000000 0.5000000), wk = 0.0018868 k( 297) = ( 0.4687500 -0.0000000 0.5000000), wk = 0.0018868 k( 298) = ( 0.4765625 -0.0000000 0.5000000), wk = 0.0018868 k( 299) = ( 0.4843750 -0.0000000 0.5000000), wk = 0.0018868 k( 300) = ( 0.4921875 -0.0000000 0.5000000), wk = 0.0018868 k( 301) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0018868 k( 302) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0018868 k( 303) = ( 0.4954955 0.0090090 0.5000000), wk = 0.0018868 k( 304) = ( 0.4909910 0.0180180 0.5000000), wk = 0.0018868 k( 305) = ( 0.4864865 0.0270270 0.5000000), wk = 0.0018868 k( 306) = ( 0.4819820 0.0360360 0.5000000), wk = 0.0018868 k( 307) = ( 0.4774775 0.0450450 0.5000000), wk = 0.0018868 k( 308) = ( 0.4729730 0.0540540 0.5000000), wk = 0.0018868 k( 309) = ( 0.4684685 0.0630631 0.5000000), wk = 0.0018868 k( 310) = ( 0.4639640 0.0720721 0.5000000), wk = 0.0018868 k( 311) = ( 0.4594595 0.0810811 0.5000000), wk = 0.0018868 k( 312) = ( 0.4549550 0.0900901 0.5000000), wk = 0.0018868 k( 313) = ( 0.4504505 0.0990991 0.5000000), wk = 0.0018868 k( 314) = ( 0.4459459 0.1081081 0.5000000), wk = 0.0018868 k( 315) = ( 0.4414414 0.1171171 0.5000000), wk = 0.0018868 k( 316) = ( 0.4369369 0.1261261 0.5000000), wk = 0.0018868 k( 317) = ( 0.4324324 0.1351351 0.5000000), wk = 0.0018868 k( 318) = ( 0.4279279 0.1441441 0.5000000), wk = 0.0018868 k( 319) = ( 0.4234234 0.1531531 0.5000000), wk = 0.0018868 k( 320) = ( 0.4189189 0.1621622 0.5000000), wk = 0.0018868 k( 321) = ( 0.4144144 0.1711712 0.5000000), wk = 0.0018868 k( 322) = ( 0.4099099 0.1801802 0.5000000), wk = 0.0018868 k( 323) = ( 0.4054054 0.1891892 0.5000000), wk = 0.0018868 k( 324) = ( 0.4009009 0.1981982 0.5000000), wk = 0.0018868 k( 325) = ( 0.3963964 0.2072072 0.5000000), wk = 0.0018868 k( 326) = ( 0.3918919 0.2162162 0.5000000), wk = 0.0018868 k( 327) = ( 0.3873874 0.2252252 0.5000000), wk = 0.0018868 k( 328) = ( 0.3828829 0.2342342 0.5000000), wk = 0.0018868 k( 329) = ( 0.3783784 0.2432432 0.5000000), wk = 0.0018868 k( 330) = ( 0.3738739 0.2522522 0.5000000), wk = 0.0018868 k( 331) = ( 0.3693694 0.2612613 0.5000000), wk = 0.0018868 k( 332) = ( 0.3648649 0.2702703 0.5000000), wk = 0.0018868 k( 333) = ( 0.3603604 0.2792793 0.5000000), wk = 0.0018868 k( 334) = ( 0.3558559 0.2882883 0.5000000), wk = 0.0018868 k( 335) = ( 0.3513514 0.2972973 0.5000000), wk = 0.0018868 k( 336) = ( 0.3468468 0.3063063 0.5000000), wk = 0.0018868 k( 337) = ( 0.3423423 0.3153153 0.5000000), wk = 0.0018868 k( 338) = ( 0.3378378 0.3243243 0.5000000), wk = 0.0018868 k( 339) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0018868 k( 340) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0018868 k( 341) = ( 0.3288288 0.3288288 0.5000000), wk = 0.0018868 k( 342) = ( 0.3243243 0.3243243 0.5000000), wk = 0.0018868 k( 343) = ( 0.3198198 0.3198198 0.5000000), wk = 0.0018868 k( 344) = ( 0.3153153 0.3153153 0.5000000), wk = 0.0018868 k( 345) = ( 0.3108108 0.3108108 0.5000000), wk = 0.0018868 k( 346) = ( 0.3063063 0.3063063 0.5000000), wk = 0.0018868 k( 347) = ( 0.3018018 0.3018018 0.5000000), wk = 0.0018868 k( 348) = ( 0.2972973 0.2972973 0.5000000), wk = 0.0018868 k( 349) = ( 0.2927928 0.2927928 0.5000000), wk = 0.0018868 k( 350) = ( 0.2882883 0.2882883 0.5000000), wk = 0.0018868 k( 351) = ( 0.2837838 0.2837838 0.5000000), wk = 0.0018868 k( 352) = ( 0.2792793 0.2792793 0.5000000), wk = 0.0018868 k( 353) = ( 0.2747748 0.2747748 0.5000000), wk = 0.0018868 k( 354) = ( 0.2702703 0.2702703 0.5000000), wk = 0.0018868 k( 355) = ( 0.2657658 0.2657658 0.5000000), wk = 0.0018868 k( 356) = ( 0.2612613 0.2612613 0.5000000), wk = 0.0018868 k( 357) = ( 0.2567568 0.2567568 0.5000000), wk = 0.0018868 k( 358) = ( 0.2522523 0.2522522 0.5000000), wk = 0.0018868 k( 359) = ( 0.2477477 0.2477477 0.5000000), wk = 0.0018868 k( 360) = ( 0.2432432 0.2432432 0.5000000), wk = 0.0018868 k( 361) = ( 0.2387387 0.2387387 0.5000000), wk = 0.0018868 k( 362) = ( 0.2342342 0.2342342 0.5000000), wk = 0.0018868 k( 363) = ( 0.2297297 0.2297297 0.5000000), wk = 0.0018868 k( 364) = ( 0.2252252 0.2252252 0.5000000), wk = 0.0018868 k( 365) = ( 0.2207207 0.2207207 0.5000000), wk = 0.0018868 k( 366) = ( 0.2162162 0.2162162 0.5000000), wk = 0.0018868 k( 367) = ( 0.2117117 0.2117117 0.5000000), wk = 0.0018868 k( 368) = ( 0.2072072 0.2072072 0.5000000), wk = 0.0018868 k( 369) = ( 0.2027027 0.2027027 0.5000000), wk = 0.0018868 k( 370) = ( 0.1981982 0.1981982 0.5000000), wk = 0.0018868 k( 371) = ( 0.1936937 0.1936937 0.5000000), wk = 0.0018868 k( 372) = ( 0.1891892 0.1891892 0.5000000), wk = 0.0018868 k( 373) = ( 0.1846847 0.1846847 0.5000000), wk = 0.0018868 k( 374) = ( 0.1801802 0.1801802 0.5000000), wk = 0.0018868 k( 375) = ( 0.1756757 0.1756757 0.5000000), wk = 0.0018868 k( 376) = ( 0.1711712 0.1711712 0.5000000), wk = 0.0018868 k( 377) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0018868 k( 378) = ( 0.1621622 0.1621622 0.5000000), wk = 0.0018868 k( 379) = ( 0.1576577 0.1576577 0.5000000), wk = 0.0018868 k( 380) = ( 0.1531531 0.1531531 0.5000000), wk = 0.0018868 k( 381) = ( 0.1486486 0.1486486 0.5000000), wk = 0.0018868 k( 382) = ( 0.1441441 0.1441441 0.5000000), wk = 0.0018868 k( 383) = ( 0.1396396 0.1396396 0.5000000), wk = 0.0018868 k( 384) = ( 0.1351351 0.1351351 0.5000000), wk = 0.0018868 k( 385) = ( 0.1306306 0.1306306 0.5000000), wk = 0.0018868 k( 386) = ( 0.1261261 0.1261261 0.5000000), wk = 0.0018868 k( 387) = ( 0.1216216 0.1216216 0.5000000), wk = 0.0018868 k( 388) = ( 0.1171171 0.1171171 0.5000000), wk = 0.0018868 k( 389) = ( 0.1126126 0.1126126 0.5000000), wk = 0.0018868 k( 390) = ( 0.1081081 0.1081081 0.5000000), wk = 0.0018868 k( 391) = ( 0.1036036 0.1036036 0.5000000), wk = 0.0018868 k( 392) = ( 0.0990991 0.0990991 0.5000000), wk = 0.0018868 k( 393) = ( 0.0945946 0.0945946 0.5000000), wk = 0.0018868 k( 394) = ( 0.0900901 0.0900901 0.5000000), wk = 0.0018868 k( 395) = ( 0.0855856 0.0855856 0.5000000), wk = 0.0018868 k( 396) = ( 0.0810811 0.0810811 0.5000000), wk = 0.0018868 k( 397) = ( 0.0765766 0.0765766 0.5000000), wk = 0.0018868 k( 398) = ( 0.0720721 0.0720721 0.5000000), wk = 0.0018868 k( 399) = ( 0.0675676 0.0675676 0.5000000), wk = 0.0018868 k( 400) = ( 0.0630631 0.0630631 0.5000000), wk = 0.0018868 k( 401) = ( 0.0585586 0.0585586 0.5000000), wk = 0.0018868 k( 402) = ( 0.0540540 0.0540540 0.5000000), wk = 0.0018868 k( 403) = ( 0.0495495 0.0495495 0.5000000), wk = 0.0018868 k( 404) = ( 0.0450451 0.0450450 0.5000000), wk = 0.0018868 k( 405) = ( 0.0405405 0.0405405 0.5000000), wk = 0.0018868 k( 406) = ( 0.0360360 0.0360360 0.5000000), wk = 0.0018868 k( 407) = ( 0.0315315 0.0315315 0.5000000), wk = 0.0018868 k( 408) = ( 0.0270270 0.0270270 0.5000000), wk = 0.0018868 k( 409) = ( 0.0225225 0.0225225 0.5000000), wk = 0.0018868 k( 410) = ( 0.0180180 0.0180180 0.5000000), wk = 0.0018868 k( 411) = ( 0.0135135 0.0135135 0.5000000), wk = 0.0018868 k( 412) = ( 0.0090090 0.0090090 0.5000000), wk = 0.0018868 k( 413) = ( 0.0045045 0.0045045 0.5000000), wk = 0.0018868 k( 414) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018868 k( 415) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0018868 k( 416) = ( 0.5000000 -0.0000000 0.4912281), wk = 0.0018868 k( 417) = ( 0.5000000 -0.0000000 0.4824561), wk = 0.0018868 k( 418) = ( 0.5000000 -0.0000000 0.4736842), wk = 0.0018868 k( 419) = ( 0.5000000 -0.0000000 0.4649123), wk = 0.0018868 k( 420) = ( 0.5000000 -0.0000000 0.4561404), wk = 0.0018868 k( 421) = ( 0.5000000 -0.0000000 0.4473684), wk = 0.0018868 k( 422) = ( 0.5000000 -0.0000000 0.4385965), wk = 0.0018868 k( 423) = ( 0.5000000 -0.0000000 0.4298246), wk = 0.0018868 k( 424) = ( 0.5000000 -0.0000000 0.4210526), wk = 0.0018868 k( 425) = ( 0.5000000 -0.0000000 0.4122807), wk = 0.0018868 k( 426) = ( 0.5000000 -0.0000000 0.4035088), wk = 0.0018868 k( 427) = ( 0.5000000 -0.0000000 0.3947368), wk = 0.0018868 k( 428) = ( 0.5000000 -0.0000000 0.3859649), wk = 0.0018868 k( 429) = ( 0.5000000 -0.0000000 0.3771930), wk = 0.0018868 k( 430) = ( 0.5000000 -0.0000000 0.3684211), wk = 0.0018868 k( 431) = ( 0.5000000 -0.0000000 0.3596491), wk = 0.0018868 k( 432) = ( 0.5000000 -0.0000000 0.3508772), wk = 0.0018868 k( 433) = ( 0.5000000 -0.0000000 0.3421053), wk = 0.0018868 k( 434) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0018868 k( 435) = ( 0.5000000 -0.0000000 0.3245614), wk = 0.0018868 k( 436) = ( 0.5000000 -0.0000000 0.3157895), wk = 0.0018868 k( 437) = ( 0.5000000 -0.0000000 0.3070175), wk = 0.0018868 k( 438) = ( 0.5000000 -0.0000000 0.2982456), wk = 0.0018868 k( 439) = ( 0.5000000 -0.0000000 0.2894737), wk = 0.0018868 k( 440) = ( 0.5000000 -0.0000000 0.2807017), wk = 0.0018868 k( 441) = ( 0.5000000 -0.0000000 0.2719298), wk = 0.0018868 k( 442) = ( 0.5000000 -0.0000000 0.2631579), wk = 0.0018868 k( 443) = ( 0.5000000 -0.0000000 0.2543860), wk = 0.0018868 k( 444) = ( 0.5000000 -0.0000000 0.2456140), wk = 0.0018868 k( 445) = ( 0.5000000 -0.0000000 0.2368421), wk = 0.0018868 k( 446) = ( 0.5000000 -0.0000000 0.2280702), wk = 0.0018868 k( 447) = ( 0.5000000 -0.0000000 0.2192983), wk = 0.0018868 k( 448) = ( 0.5000000 -0.0000000 0.2105263), wk = 0.0018868 k( 449) = ( 0.5000000 -0.0000000 0.2017544), wk = 0.0018868 k( 450) = ( 0.5000000 -0.0000000 0.1929825), wk = 0.0018868 k( 451) = ( 0.5000000 -0.0000000 0.1842105), wk = 0.0018868 k( 452) = ( 0.5000000 -0.0000000 0.1754386), wk = 0.0018868 k( 453) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0018868 k( 454) = ( 0.5000000 -0.0000000 0.1578947), wk = 0.0018868 k( 455) = ( 0.5000000 -0.0000000 0.1491228), wk = 0.0018868 k( 456) = ( 0.5000000 -0.0000000 0.1403509), wk = 0.0018868 k( 457) = ( 0.5000000 -0.0000000 0.1315790), wk = 0.0018868 k( 458) = ( 0.5000000 -0.0000000 0.1228070), wk = 0.0018868 k( 459) = ( 0.5000000 -0.0000000 0.1140351), wk = 0.0018868 k( 460) = ( 0.5000000 -0.0000000 0.1052632), wk = 0.0018868 k( 461) = ( 0.5000000 -0.0000000 0.0964912), wk = 0.0018868 k( 462) = ( 0.5000000 -0.0000000 0.0877193), wk = 0.0018868 k( 463) = ( 0.5000000 -0.0000000 0.0789474), wk = 0.0018868 k( 464) = ( 0.5000000 -0.0000000 0.0701754), wk = 0.0018868 k( 465) = ( 0.5000000 -0.0000000 0.0614035), wk = 0.0018868 k( 466) = ( 0.5000000 -0.0000000 0.0526316), wk = 0.0018868 k( 467) = ( 0.5000000 -0.0000000 0.0438596), wk = 0.0018868 k( 468) = ( 0.5000000 -0.0000000 0.0350877), wk = 0.0018868 k( 469) = ( 0.5000000 -0.0000000 0.0263158), wk = 0.0018868 k( 470) = ( 0.5000000 -0.0000000 0.0175439), wk = 0.0018868 k( 471) = ( 0.5000000 -0.0000000 0.0087719), wk = 0.0018868 k( 472) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018868 k( 473) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0018868 k( 474) = ( 0.3333333 0.3333333 0.0087719), wk = 0.0018868 k( 475) = ( 0.3333333 0.3333333 0.0175439), wk = 0.0018868 k( 476) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0018868 k( 477) = ( 0.3333333 0.3333333 0.0350877), wk = 0.0018868 k( 478) = ( 0.3333333 0.3333333 0.0438597), wk = 0.0018868 k( 479) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0018868 k( 480) = ( 0.3333333 0.3333333 0.0614035), wk = 0.0018868 k( 481) = ( 0.3333333 0.3333333 0.0701754), wk = 0.0018868 k( 482) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0018868 k( 483) = ( 0.3333333 0.3333333 0.0877193), wk = 0.0018868 k( 484) = ( 0.3333333 0.3333333 0.0964912), wk = 0.0018868 k( 485) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0018868 k( 486) = ( 0.3333333 0.3333333 0.1140351), wk = 0.0018868 k( 487) = ( 0.3333333 0.3333333 0.1228070), wk = 0.0018868 k( 488) = ( 0.3333333 0.3333333 0.1315789), wk = 0.0018868 k( 489) = ( 0.3333333 0.3333333 0.1403509), wk = 0.0018868 k( 490) = ( 0.3333333 0.3333333 0.1491228), wk = 0.0018868 k( 491) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0018868 k( 492) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0018868 k( 493) = ( 0.3333333 0.3333333 0.1754386), wk = 0.0018868 k( 494) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0018868 k( 495) = ( 0.3333333 0.3333333 0.1929825), wk = 0.0018868 k( 496) = ( 0.3333333 0.3333333 0.2017544), wk = 0.0018868 k( 497) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0018868 k( 498) = ( 0.3333333 0.3333333 0.2192983), wk = 0.0018868 k( 499) = ( 0.3333333 0.3333333 0.2280702), wk = 0.0018868 k( 500) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0018868 k( 501) = ( 0.3333333 0.3333333 0.2456140), wk = 0.0018868 k( 502) = ( 0.3333333 0.3333333 0.2543860), wk = 0.0018868 k( 503) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0018868 k( 504) = ( 0.3333333 0.3333333 0.2719298), wk = 0.0018868 k( 505) = ( 0.3333333 0.3333333 0.2807018), wk = 0.0018868 k( 506) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0018868 k( 507) = ( 0.3333333 0.3333333 0.2982456), wk = 0.0018868 k( 508) = ( 0.3333333 0.3333333 0.3070175), wk = 0.0018868 k( 509) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0018868 k( 510) = ( 0.3333333 0.3333333 0.3245614), wk = 0.0018868 k( 511) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0018868 k( 512) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0018868 k( 513) = ( 0.3333333 0.3333333 0.3508772), wk = 0.0018868 k( 514) = ( 0.3333333 0.3333333 0.3596491), wk = 0.0018868 k( 515) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0018868 k( 516) = ( 0.3333333 0.3333333 0.3771930), wk = 0.0018868 k( 517) = ( 0.3333333 0.3333333 0.3859649), wk = 0.0018868 k( 518) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0018868 k( 519) = ( 0.3333333 0.3333333 0.4035088), wk = 0.0018868 k( 520) = ( 0.3333333 0.3333333 0.4122807), wk = 0.0018868 k( 521) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0018868 k( 522) = ( 0.3333333 0.3333333 0.4298246), wk = 0.0018868 k( 523) = ( 0.3333333 0.3333333 0.4385965), wk = 0.0018868 k( 524) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0018868 k( 525) = ( 0.3333333 0.3333333 0.4561403), wk = 0.0018868 k( 526) = ( 0.3333333 0.3333333 0.4649123), wk = 0.0018868 k( 527) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0018868 k( 528) = ( 0.3333333 0.3333333 0.4824561), wk = 0.0018868 k( 529) = ( 0.3333333 0.3333333 0.4912281), wk = 0.0018868 k( 530) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0018868 Dense grid: 12161 G-vectors FFT dimensions: ( 32, 32, 30) Smooth grid: 6371 G-vectors FFT dimensions: ( 25, 25, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 54, 22) NL pseudopotentials 0.01 Mb ( 27, 34) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 337) G-vector shells 0.00 Mb ( 177) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 54, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.02 Mb ( 34, 2, 22) The potential is recalculated from file : ./Mo.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.3 secs Computing kpt #: 3 total cpu time spent up to now is 1.4 secs Computing kpt #: 4 total cpu time spent up to now is 1.5 secs Computing kpt #: 5 total cpu time spent up to now is 1.5 secs Computing kpt #: 6 total cpu time spent up to now is 1.6 secs Computing kpt #: 7 total cpu time spent up to now is 1.7 secs Computing kpt #: 8 total cpu time spent up to now is 1.8 secs Computing kpt #: 9 total cpu time spent up to now is 1.8 secs Computing kpt #: 10 total cpu time spent up to now is 1.9 secs Computing kpt #: 11 total cpu time spent up to now is 2.0 secs Computing kpt #: 12 total cpu time spent up to now is 2.1 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 2.2 secs Computing kpt #: 15 total cpu time spent up to now is 2.3 secs Computing kpt #: 16 total cpu time spent up to now is 2.4 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 2.6 secs Computing kpt #: 20 total cpu time spent up to now is 2.7 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 2.8 secs Computing kpt #: 23 total cpu time spent up to now is 2.9 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 3.0 secs Computing kpt #: 26 total cpu time spent up to now is 3.1 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 3.3 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 3.4 secs Computing kpt #: 33 total cpu time spent up to now is 3.5 secs Computing kpt #: 34 total cpu time spent up to now is 3.5 secs Computing kpt #: 35 total cpu time spent up to now is 3.6 secs Computing kpt #: 36 total cpu time spent up to now is 3.6 secs Computing kpt #: 37 total cpu time spent up to now is 3.7 secs Computing kpt #: 38 total cpu time spent up to now is 3.8 secs Computing kpt #: 39 total cpu time spent up to now is 3.8 secs Computing kpt #: 40 total cpu time spent up to now is 3.9 secs Computing kpt #: 41 total cpu time spent up to now is 3.9 secs Computing kpt #: 42 total cpu time spent up to now is 4.0 secs Computing kpt #: 43 total cpu time spent up to now is 4.0 secs Computing kpt #: 44 total cpu time spent up to now is 4.1 secs Computing kpt #: 45 total cpu time spent up to now is 4.1 secs Computing kpt #: 46 total cpu time spent up to now is 4.2 secs Computing kpt #: 47 total cpu time spent up to now is 4.2 secs Computing kpt #: 48 total cpu time spent up to now is 4.3 secs Computing kpt #: 49 total cpu time spent up to now is 4.3 secs Computing kpt #: 50 total cpu time spent up to now is 4.4 secs Computing kpt #: 51 total cpu time spent up to now is 4.4 secs Computing kpt #: 52 total cpu time spent up to now is 4.5 secs Computing kpt #: 53 total cpu time spent up to now is 4.5 secs Computing kpt #: 54 total cpu time spent up to now is 4.6 secs Computing kpt #: 55 total cpu time spent up to now is 4.6 secs Computing kpt #: 56 total cpu time spent up to now is 4.7 secs Computing kpt #: 57 total cpu time spent up to now is 4.7 secs Computing kpt #: 58 total cpu time spent up to now is 4.8 secs Computing kpt #: 59 total cpu time spent up to now is 4.8 secs Computing kpt #: 60 total cpu time spent up to now is 4.9 secs Computing kpt #: 61 total cpu time spent up to now is 4.9 secs Computing kpt #: 62 total cpu time spent up to now is 4.9 secs Computing kpt #: 63 total cpu time spent up to now is 5.0 secs Computing kpt #: 64 total cpu time spent up to now is 5.0 secs Computing kpt #: 65 total cpu time spent up to now is 5.1 secs Computing kpt #: 66 total cpu time spent up to now is 5.1 secs Computing kpt #: 67 total cpu time spent up to now is 5.2 secs Computing kpt #: 68 total cpu time spent up to now is 5.2 secs Computing kpt #: 69 total cpu time spent up to now is 5.2 secs Computing kpt #: 70 total cpu time spent up to now is 5.3 secs Computing kpt #: 71 total cpu time spent up to now is 5.3 secs Computing kpt #: 72 total cpu time spent up to now is 5.4 secs Computing kpt #: 73 total cpu time spent up to now is 5.4 secs Computing kpt #: 74 total cpu time spent up to now is 5.5 secs Computing kpt #: 75 total cpu time spent up to now is 5.5 secs Computing kpt #: 76 total cpu time spent up to now is 5.6 secs Computing kpt #: 77 total cpu time spent up to now is 5.6 secs Computing kpt #: 78 total cpu time spent up to now is 5.7 secs Computing kpt #: 79 total cpu time spent up to now is 5.7 secs Computing kpt #: 80 total cpu time spent up to now is 5.8 secs Computing kpt #: 81 total cpu time spent up to now is 5.8 secs Computing kpt #: 82 total cpu time spent up to now is 5.9 secs Computing kpt #: 83 total cpu time spent up to now is 5.9 secs Computing kpt #: 84 total cpu time spent up to now is 6.0 secs Computing kpt #: 85 total cpu time spent up to now is 6.0 secs Computing kpt #: 86 total cpu time spent up to now is 6.1 secs Computing kpt #: 87 total cpu time spent up to now is 6.1 secs Computing kpt #: 88 total cpu time spent up to now is 6.2 secs Computing kpt #: 89 total cpu time spent up to now is 6.2 secs Computing kpt #: 90 total cpu time spent up to now is 6.3 secs Computing kpt #: 91 total cpu time spent up to now is 6.3 secs Computing kpt #: 92 total cpu time spent up to now is 6.4 secs Computing kpt #: 93 total cpu time spent up to now is 6.4 secs Computing kpt #: 94 total cpu time spent up to now is 6.5 secs Computing kpt #: 95 total cpu time spent up to now is 6.5 secs Computing kpt #: 96 total cpu time spent up to now is 6.6 secs Computing kpt #: 97 total cpu time spent up to now is 6.7 secs Computing kpt #: 98 total cpu time spent up to now is 6.7 secs Computing kpt #: 99 total cpu time spent up to now is 6.8 secs Computing kpt #: 100 total cpu time spent up to now is 6.8 secs Computing kpt #: 101 total cpu time spent up to now is 6.9 secs Computing kpt #: 102 total cpu time spent up to now is 6.9 secs Computing kpt #: 103 total cpu time spent up to now is 7.0 secs Computing kpt #: 104 total cpu time spent up to now is 7.1 secs Computing kpt #: 105 total cpu time spent up to now is 7.2 secs Computing kpt #: 106 total cpu time spent up to now is 7.2 secs Computing kpt #: 107 total cpu time spent up to now is 7.3 secs Computing kpt #: 108 total cpu time spent up to now is 7.3 secs Computing kpt #: 109 total cpu time spent up to now is 7.4 secs Computing kpt #: 110 total cpu time spent up to now is 7.4 secs Computing kpt #: 111 total cpu time spent up to now is 7.5 secs Computing kpt #: 112 total cpu time spent up to now is 7.6 secs Computing kpt #: 113 total cpu time spent up to now is 7.6 secs Computing kpt #: 114 total cpu time spent up to now is 7.7 secs Computing kpt #: 115 total cpu time spent up to now is 7.7 secs Computing kpt #: 116 total cpu time spent up to now is 7.8 secs Computing kpt #: 117 total cpu time spent up to now is 7.8 secs Computing kpt #: 118 total cpu time spent up to now is 7.9 secs Computing kpt #: 119 total cpu time spent up to now is 7.9 secs Computing kpt #: 120 total cpu time spent up to now is 8.0 secs Computing kpt #: 121 total cpu time spent up to now is 8.1 secs Computing kpt #: 122 total cpu time spent up to now is 8.1 secs Computing kpt #: 123 total cpu time spent up to now is 8.2 secs Computing kpt #: 124 total cpu time spent up to now is 8.2 secs Computing kpt #: 125 total cpu time spent up to now is 8.3 secs Computing kpt #: 126 total cpu time spent up to now is 8.3 secs Computing kpt #: 127 total cpu time spent up to now is 8.4 secs Computing kpt #: 128 total cpu time spent up to now is 8.5 secs Computing kpt #: 129 total cpu time spent up to now is 8.5 secs Computing kpt #: 130 total cpu time spent up to now is 8.6 secs Computing kpt #: 131 total cpu time spent up to now is 8.6 secs Computing kpt #: 132 total cpu time spent up to now is 8.7 secs Computing kpt #: 133 total cpu time spent up to now is 8.7 secs Computing kpt #: 134 total cpu time spent up to now is 8.9 secs Computing kpt #: 135 total cpu time spent up to now is 9.0 secs Computing kpt #: 136 total cpu time spent up to now is 9.0 secs Computing kpt #: 137 total cpu time spent up to now is 9.1 secs Computing kpt #: 138 total cpu time spent up to now is 9.2 secs Computing kpt #: 139 total cpu time spent up to now is 9.2 secs Computing kpt #: 140 total cpu time spent up to now is 9.3 secs Computing kpt #: 141 total cpu time spent up to now is 9.4 secs Computing kpt #: 142 total cpu time spent up to now is 9.4 secs Computing kpt #: 143 total cpu time spent up to now is 9.5 secs Computing kpt #: 144 total cpu time spent up to now is 9.6 secs Computing kpt #: 145 total cpu time spent up to now is 9.6 secs Computing kpt #: 146 total cpu time spent up to now is 9.7 secs Computing kpt #: 147 total cpu time spent up to now is 9.8 secs Computing kpt #: 148 total cpu time spent up to now is 9.9 secs Computing kpt #: 149 total cpu time spent up to now is 9.9 secs Computing kpt #: 150 total cpu time spent up to now is 10.0 secs Computing kpt #: 151 total cpu time spent up to now is 10.1 secs Computing kpt #: 152 total cpu time spent up to now is 10.2 secs Computing kpt #: 153 total cpu time spent up to now is 10.3 secs Computing kpt #: 154 total cpu time spent up to now is 10.3 secs Computing kpt #: 155 total cpu time spent up to now is 10.4 secs Computing kpt #: 156 total cpu time spent up to now is 10.5 secs Computing kpt #: 157 total cpu time spent up to now is 10.6 secs Computing kpt #: 158 total cpu time spent up to now is 10.7 secs Computing kpt #: 159 total cpu time spent up to now is 10.7 secs Computing kpt #: 160 total cpu time spent up to now is 10.8 secs Computing kpt #: 161 total cpu time spent up to now is 10.9 secs Computing kpt #: 162 total cpu time spent up to now is 11.0 secs Computing kpt #: 163 total cpu time spent up to now is 11.0 secs Computing kpt #: 164 total cpu time spent up to now is 11.1 secs Computing kpt #: 165 total cpu time spent up to now is 11.2 secs Computing kpt #: 166 total cpu time spent up to now is 11.3 secs Computing kpt #: 167 total cpu time spent up to now is 11.3 secs Computing kpt #: 168 total cpu time spent up to now is 11.4 secs Computing kpt #: 169 total cpu time spent up to now is 11.5 secs Computing kpt #: 170 total cpu time spent up to now is 11.6 secs Computing kpt #: 171 total cpu time spent up to now is 11.6 secs Computing kpt #: 172 total cpu time spent up to now is 11.7 secs Computing kpt #: 173 total cpu time spent up to now is 11.8 secs Computing kpt #: 174 total cpu time spent up to now is 11.8 secs Computing kpt #: 175 total cpu time spent up to now is 11.9 secs Computing kpt #: 176 total cpu time spent up to now is 12.0 secs Computing kpt #: 177 total cpu time spent up to now is 12.0 secs Computing kpt #: 178 total cpu time spent up to now is 12.1 secs Computing kpt #: 179 total cpu time spent up to now is 12.1 secs Computing kpt #: 180 total cpu time spent up to now is 12.2 secs Computing kpt #: 181 total cpu time spent up to now is 12.3 secs Computing kpt #: 182 total cpu time spent up to now is 12.3 secs Computing kpt #: 183 total cpu time spent up to now is 12.4 secs Computing kpt #: 184 total cpu time spent up to now is 12.4 secs Computing kpt #: 185 total cpu time spent up to now is 12.5 secs Computing kpt #: 186 total cpu time spent up to now is 12.5 secs Computing kpt #: 187 total cpu time spent up to now is 12.6 secs Computing kpt #: 188 total cpu time spent up to now is 12.7 secs Computing kpt #: 189 total cpu time spent up to now is 12.7 secs Computing kpt #: 190 total cpu time spent up to now is 12.8 secs Computing kpt #: 191 total cpu time spent up to now is 12.8 secs Computing kpt #: 192 total cpu time spent up to now is 12.9 secs Computing kpt #: 193 total cpu time spent up to now is 12.9 secs Computing kpt #: 194 total cpu time spent up to now is 13.0 secs Computing kpt #: 195 total cpu time spent up to now is 13.0 secs Computing kpt #: 196 total cpu time spent up to now is 13.1 secs Computing kpt #: 197 total cpu time spent up to now is 13.1 secs Computing kpt #: 198 total cpu time spent up to now is 13.2 secs Computing kpt #: 199 total cpu time spent up to now is 13.2 secs Computing kpt #: 200 total cpu time spent up to now is 13.3 secs Computing kpt #: 201 total cpu time spent up to now is 13.3 secs Computing kpt #: 202 total cpu time spent up to now is 13.4 secs Computing kpt #: 203 total cpu time spent up to now is 13.4 secs Computing kpt #: 204 total cpu time spent up to now is 13.5 secs Computing kpt #: 205 total cpu time spent up to now is 13.5 secs Computing kpt #: 206 total cpu time spent up to now is 13.5 secs Computing kpt #: 207 total cpu time spent up to now is 13.6 secs Computing kpt #: 208 total cpu time spent up to now is 13.6 secs Computing kpt #: 209 total cpu time spent up to now is 13.7 secs Computing kpt #: 210 total cpu time spent up to now is 13.7 secs Computing kpt #: 211 total cpu time spent up to now is 13.8 secs Computing kpt #: 212 total cpu time spent up to now is 13.8 secs Computing kpt #: 213 total cpu time spent up to now is 13.9 secs Computing kpt #: 214 total cpu time spent up to now is 13.9 secs Computing kpt #: 215 total cpu time spent up to now is 14.0 secs Computing kpt #: 216 total cpu time spent up to now is 14.0 secs Computing kpt #: 217 total cpu time spent up to now is 14.0 secs Computing kpt #: 218 total cpu time spent up to now is 14.1 secs Computing kpt #: 219 total cpu time spent up to now is 14.1 secs Computing kpt #: 220 total cpu time spent up to now is 14.2 secs Computing kpt #: 221 total cpu time spent up to now is 14.2 secs Computing kpt #: 222 total cpu time spent up to now is 14.3 secs Computing kpt #: 223 total cpu time spent up to now is 14.3 secs Computing kpt #: 224 total cpu time spent up to now is 14.4 secs Computing kpt #: 225 total cpu time spent up to now is 14.4 secs Computing kpt #: 226 total cpu time spent up to now is 14.4 secs Computing kpt #: 227 total cpu time spent up to now is 14.5 secs Computing kpt #: 228 total cpu time spent up to now is 14.5 secs Computing kpt #: 229 total cpu time spent up to now is 14.6 secs Computing kpt #: 230 total cpu time spent up to now is 14.6 secs Computing kpt #: 231 total cpu time spent up to now is 14.7 secs Computing kpt #: 232 total cpu time spent up to now is 14.7 secs Computing kpt #: 233 total cpu time spent up to now is 14.7 secs Computing kpt #: 234 total cpu time spent up to now is 14.8 secs Computing kpt #: 235 total cpu time spent up to now is 14.8 secs Computing kpt #: 236 total cpu time spent up to now is 14.9 secs Computing kpt #: 237 total cpu time spent up to now is 14.9 secs Computing kpt #: 238 total cpu time spent up to now is 14.9 secs Computing kpt #: 239 total cpu time spent up to now is 15.0 secs Computing kpt #: 240 total cpu time spent up to now is 15.0 secs Computing kpt #: 241 total cpu time spent up to now is 15.1 secs Computing kpt #: 242 total cpu time spent up to now is 15.1 secs Computing kpt #: 243 total cpu time spent up to now is 15.2 secs Computing kpt #: 244 total cpu time spent up to now is 15.2 secs Computing kpt #: 245 total cpu time spent up to now is 15.2 secs Computing kpt #: 246 total cpu time spent up to now is 15.3 secs Computing kpt #: 247 total cpu time spent up to now is 15.3 secs Computing kpt #: 248 total cpu time spent up to now is 15.4 secs Computing kpt #: 249 total cpu time spent up to now is 15.4 secs Computing kpt #: 250 total cpu time spent up to now is 15.5 secs Computing kpt #: 251 total cpu time spent up to now is 15.5 secs Computing kpt #: 252 total cpu time spent up to now is 15.5 secs Computing kpt #: 253 total cpu time spent up to now is 15.6 secs Computing kpt #: 254 total cpu time spent up to now is 15.6 secs Computing kpt #: 255 total cpu time spent up to now is 15.7 secs Computing kpt #: 256 total cpu time spent up to now is 15.7 secs Computing kpt #: 257 total cpu time spent up to now is 15.8 secs Computing kpt #: 258 total cpu time spent up to now is 15.8 secs Computing kpt #: 259 total cpu time spent up to now is 15.9 secs Computing kpt #: 260 total cpu time spent up to now is 15.9 secs Computing kpt #: 261 total cpu time spent up to now is 15.9 secs Computing kpt #: 262 total cpu time spent up to now is 16.0 secs Computing kpt #: 263 total cpu time spent up to now is 16.0 secs Computing kpt #: 264 total cpu time spent up to now is 16.1 secs Computing kpt #: 265 total cpu time spent up to now is 16.1 secs Computing kpt #: 266 total cpu time spent up to now is 16.2 secs Computing kpt #: 267 total cpu time spent up to now is 16.2 secs Computing kpt #: 268 total cpu time spent up to now is 16.3 secs Computing kpt #: 269 total cpu time spent up to now is 16.3 secs Computing kpt #: 270 total cpu time spent up to now is 16.4 secs Computing kpt #: 271 total cpu time spent up to now is 16.4 secs Computing kpt #: 272 total cpu time spent up to now is 16.5 secs Computing kpt #: 273 total cpu time spent up to now is 16.5 secs Computing kpt #: 274 total cpu time spent up to now is 16.6 secs Computing kpt #: 275 total cpu time spent up to now is 16.6 secs Computing kpt #: 276 total cpu time spent up to now is 16.7 secs Computing kpt #: 277 total cpu time spent up to now is 16.7 secs Computing kpt #: 278 total cpu time spent up to now is 16.8 secs Computing kpt #: 279 total cpu time spent up to now is 16.8 secs Computing kpt #: 280 total cpu time spent up to now is 16.9 secs Computing kpt #: 281 total cpu time spent up to now is 16.9 secs Computing kpt #: 282 total cpu time spent up to now is 17.0 secs Computing kpt #: 283 total cpu time spent up to now is 17.0 secs Computing kpt #: 284 total cpu time spent up to now is 17.1 secs Computing kpt #: 285 total cpu time spent up to now is 17.1 secs Computing kpt #: 286 total cpu time spent up to now is 17.2 secs Computing kpt #: 287 total cpu time spent up to now is 17.2 secs Computing kpt #: 288 total cpu time spent up to now is 17.3 secs Computing kpt #: 289 total cpu time spent up to now is 17.3 secs Computing kpt #: 290 total cpu time spent up to now is 17.4 secs Computing kpt #: 291 total cpu time spent up to now is 17.4 secs Computing kpt #: 292 total cpu time spent up to now is 17.5 secs Computing kpt #: 293 total cpu time spent up to now is 17.5 secs Computing kpt #: 294 total cpu time spent up to now is 17.6 secs Computing kpt #: 295 total cpu time spent up to now is 17.6 secs Computing kpt #: 296 total cpu time spent up to now is 17.7 secs Computing kpt #: 297 total cpu time spent up to now is 17.7 secs Computing kpt #: 298 total cpu time spent up to now is 17.8 secs Computing kpt #: 299 total cpu time spent up to now is 17.8 secs Computing kpt #: 300 total cpu time spent up to now is 17.9 secs Computing kpt #: 301 total cpu time spent up to now is 17.9 secs Computing kpt #: 302 total cpu time spent up to now is 18.0 secs Computing kpt #: 303 total cpu time spent up to now is 18.0 secs Computing kpt #: 304 total cpu time spent up to now is 18.1 secs Computing kpt #: 305 total cpu time spent up to now is 18.1 secs Computing kpt #: 306 total cpu time spent up to now is 18.2 secs Computing kpt #: 307 total cpu time spent up to now is 18.2 secs Computing kpt #: 308 total cpu time spent up to now is 18.3 secs Computing kpt #: 309 total cpu time spent up to now is 18.3 secs Computing kpt #: 310 total cpu time spent up to now is 18.4 secs Computing kpt #: 311 total cpu time spent up to now is 18.4 secs Computing kpt #: 312 total cpu time spent up to now is 18.5 secs Computing kpt #: 313 total cpu time spent up to now is 18.5 secs Computing kpt #: 314 total cpu time spent up to now is 18.6 secs Computing kpt #: 315 total cpu time spent up to now is 18.6 secs Computing kpt #: 316 total cpu time spent up to now is 18.7 secs Computing kpt #: 317 total cpu time spent up to now is 18.7 secs Computing kpt #: 318 total cpu time spent up to now is 18.8 secs Computing kpt #: 319 total cpu time spent up to now is 18.8 secs Computing kpt #: 320 total cpu time spent up to now is 18.9 secs Computing kpt #: 321 total cpu time spent up to now is 18.9 secs Computing kpt #: 322 total cpu time spent up to now is 19.0 secs Computing kpt #: 323 total cpu time spent up to now is 19.0 secs Computing kpt #: 324 total cpu time spent up to now is 19.1 secs Computing kpt #: 325 total cpu time spent up to now is 19.1 secs Computing kpt #: 326 total cpu time spent up to now is 19.2 secs Computing kpt #: 327 total cpu time spent up to now is 19.2 secs Computing kpt #: 328 total cpu time spent up to now is 19.3 secs Computing kpt #: 329 total cpu time spent up to now is 19.3 secs Computing kpt #: 330 total cpu time spent up to now is 19.4 secs Computing kpt #: 331 total cpu time spent up to now is 19.4 secs Computing kpt #: 332 total cpu time spent up to now is 19.5 secs Computing kpt #: 333 total cpu time spent up to now is 19.6 secs Computing kpt #: 334 total cpu time spent up to now is 19.6 secs Computing kpt #: 335 total cpu time spent up to now is 19.7 secs Computing kpt #: 336 total cpu time spent up to now is 19.7 secs Computing kpt #: 337 total cpu time spent up to now is 19.8 secs Computing kpt #: 338 total cpu time spent up to now is 19.9 secs Computing kpt #: 339 total cpu time spent up to now is 20.0 secs Computing kpt #: 340 total cpu time spent up to now is 20.0 secs Computing kpt #: 341 total cpu time spent up to now is 20.1 secs Computing kpt #: 342 total cpu time spent up to now is 20.2 secs Computing kpt #: 343 total cpu time spent up to now is 20.3 secs Computing kpt #: 344 total cpu time spent up to now is 20.3 secs Computing kpt #: 345 total cpu time spent up to now is 20.4 secs Computing kpt #: 346 total cpu time spent up to now is 20.4 secs Computing kpt #: 347 total cpu time spent up to now is 20.5 secs Computing kpt #: 348 total cpu time spent up to now is 20.5 secs Computing kpt #: 349 total cpu time spent up to now is 20.6 secs Computing kpt #: 350 total cpu time spent up to now is 20.6 secs Computing kpt #: 351 total cpu time spent up to now is 20.7 secs Computing kpt #: 352 total cpu time spent up to now is 20.7 secs Computing kpt #: 353 total cpu time spent up to now is 20.8 secs Computing kpt #: 354 total cpu time spent up to now is 20.8 secs Computing kpt #: 355 total cpu time spent up to now is 20.9 secs Computing kpt #: 356 total cpu time spent up to now is 20.9 secs Computing kpt #: 357 total cpu time spent up to now is 21.0 secs Computing kpt #: 358 total cpu time spent up to now is 21.1 secs Computing kpt #: 359 total cpu time spent up to now is 21.1 secs Computing kpt #: 360 total cpu time spent up to now is 21.2 secs Computing kpt #: 361 total cpu time spent up to now is 21.2 secs Computing kpt #: 362 total cpu time spent up to now is 21.3 secs Computing kpt #: 363 total cpu time spent up to now is 21.4 secs Computing kpt #: 364 total cpu time spent up to now is 21.5 secs Computing kpt #: 365 total cpu time spent up to now is 21.5 secs Computing kpt #: 366 total cpu time spent up to now is 21.6 secs Computing kpt #: 367 total cpu time spent up to now is 21.6 secs Computing kpt #: 368 total cpu time spent up to now is 21.7 secs Computing kpt #: 369 total cpu time spent up to now is 21.7 secs Computing kpt #: 370 total cpu time spent up to now is 21.8 secs Computing kpt #: 371 total cpu time spent up to now is 21.8 secs Computing kpt #: 372 total cpu time spent up to now is 22.1 secs Computing kpt #: 373 total cpu time spent up to now is 22.1 secs Computing kpt #: 374 total cpu time spent up to now is 22.2 secs Computing kpt #: 375 total cpu time spent up to now is 22.2 secs Computing kpt #: 376 total cpu time spent up to now is 22.3 secs Computing kpt #: 377 total cpu time spent up to now is 22.3 secs Computing kpt #: 378 total cpu time spent up to now is 22.4 secs Computing kpt #: 379 total cpu time spent up to now is 22.4 secs Computing kpt #: 380 total cpu time spent up to now is 22.5 secs Computing kpt #: 381 total cpu time spent up to now is 22.5 secs Computing kpt #: 382 total cpu time spent up to now is 22.6 secs Computing kpt #: 383 total cpu time spent up to now is 22.6 secs Computing kpt #: 384 total cpu time spent up to now is 22.7 secs Computing kpt #: 385 total cpu time spent up to now is 22.7 secs Computing kpt #: 386 total cpu time spent up to now is 22.8 secs Computing kpt #: 387 total cpu time spent up to now is 22.8 secs Computing kpt #: 388 total cpu time spent up to now is 22.9 secs Computing kpt #: 389 total cpu time spent up to now is 22.9 secs Computing kpt #: 390 total cpu time spent up to now is 22.9 secs Computing kpt #: 391 total cpu time spent up to now is 23.0 secs Computing kpt #: 392 total cpu time spent up to now is 23.0 secs Computing kpt #: 393 total cpu time spent up to now is 23.1 secs Computing kpt #: 394 total cpu time spent up to now is 23.1 secs Computing kpt #: 395 total cpu time spent up to now is 23.2 secs Computing kpt #: 396 total cpu time spent up to now is 23.2 secs Computing kpt #: 397 total cpu time spent up to now is 23.3 secs Computing kpt #: 398 total cpu time spent up to now is 23.3 secs Computing kpt #: 399 total cpu time spent up to now is 23.3 secs Computing kpt #: 400 total cpu time spent up to now is 23.4 secs Computing kpt #: 401 total cpu time spent up to now is 23.4 secs Computing kpt #: 402 total cpu time spent up to now is 23.5 secs Computing kpt #: 403 total cpu time spent up to now is 23.5 secs Computing kpt #: 404 total cpu time spent up to now is 23.6 secs Computing kpt #: 405 total cpu time spent up to now is 23.6 secs Computing kpt #: 406 total cpu time spent up to now is 23.6 secs Computing kpt #: 407 total cpu time spent up to now is 23.7 secs Computing kpt #: 408 total cpu time spent up to now is 23.7 secs Computing kpt #: 409 total cpu time spent up to now is 23.8 secs Computing kpt #: 410 total cpu time spent up to now is 23.8 secs Computing kpt #: 411 total cpu time spent up to now is 23.9 secs Computing kpt #: 412 total cpu time spent up to now is 23.9 secs Computing kpt #: 413 total cpu time spent up to now is 23.9 secs Computing kpt #: 414 total cpu time spent up to now is 24.0 secs Computing kpt #: 415 total cpu time spent up to now is 24.0 secs Computing kpt #: 416 total cpu time spent up to now is 24.1 secs Computing kpt #: 417 total cpu time spent up to now is 24.1 secs Computing kpt #: 418 total cpu time spent up to now is 24.2 secs Computing kpt #: 419 total cpu time spent up to now is 24.2 secs Computing kpt #: 420 total cpu time spent up to now is 24.3 secs Computing kpt #: 421 total cpu time spent up to now is 24.3 secs Computing kpt #: 422 total cpu time spent up to now is 24.4 secs Computing kpt #: 423 total cpu time spent up to now is 24.4 secs Computing kpt #: 424 total cpu time spent up to now is 24.5 secs Computing kpt #: 425 total cpu time spent up to now is 24.6 secs Computing kpt #: 426 total cpu time spent up to now is 24.6 secs Computing kpt #: 427 total cpu time spent up to now is 24.7 secs Computing kpt #: 428 total cpu time spent up to now is 24.7 secs Computing kpt #: 429 total cpu time spent up to now is 24.7 secs Computing kpt #: 430 total cpu time spent up to now is 24.8 secs Computing kpt #: 431 total cpu time spent up to now is 24.8 secs Computing kpt #: 432 total cpu time spent up to now is 24.9 secs Computing kpt #: 433 total cpu time spent up to now is 24.9 secs Computing kpt #: 434 total cpu time spent up to now is 25.0 secs Computing kpt #: 435 total cpu time spent up to now is 25.0 secs Computing kpt #: 436 total cpu time spent up to now is 25.1 secs Computing kpt #: 437 total cpu time spent up to now is 25.1 secs Computing kpt #: 438 total cpu time spent up to now is 25.2 secs Computing kpt #: 439 total cpu time spent up to now is 25.2 secs Computing kpt #: 440 total cpu time spent up to now is 25.3 secs Computing kpt #: 441 total cpu time spent up to now is 25.3 secs Computing kpt #: 442 total cpu time spent up to now is 25.4 secs Computing kpt #: 443 total cpu time spent up to now is 25.4 secs Computing kpt #: 444 total cpu time spent up to now is 25.5 secs Computing kpt #: 445 total cpu time spent up to now is 25.5 secs Computing kpt #: 446 total cpu time spent up to now is 25.6 secs Computing kpt #: 447 total cpu time spent up to now is 25.6 secs Computing kpt #: 448 total cpu time spent up to now is 25.7 secs Computing kpt #: 449 total cpu time spent up to now is 25.7 secs Computing kpt #: 450 total cpu time spent up to now is 25.7 secs Computing kpt #: 451 total cpu time spent up to now is 25.8 secs Computing kpt #: 452 total cpu time spent up to now is 25.8 secs Computing kpt #: 453 total cpu time spent up to now is 25.9 secs Computing kpt #: 454 total cpu time spent up to now is 25.9 secs Computing kpt #: 455 total cpu time spent up to now is 26.0 secs Computing kpt #: 456 total cpu time spent up to now is 26.0 secs Computing kpt #: 457 total cpu time spent up to now is 26.1 secs Computing kpt #: 458 total cpu time spent up to now is 26.1 secs Computing kpt #: 459 total cpu time spent up to now is 26.1 secs Computing kpt #: 460 total cpu time spent up to now is 26.2 secs Computing kpt #: 461 total cpu time spent up to now is 26.2 secs Computing kpt #: 462 total cpu time spent up to now is 26.3 secs Computing kpt #: 463 total cpu time spent up to now is 26.3 secs Computing kpt #: 464 total cpu time spent up to now is 26.4 secs Computing kpt #: 465 total cpu time spent up to now is 26.4 secs Computing kpt #: 466 total cpu time spent up to now is 26.5 secs Computing kpt #: 467 total cpu time spent up to now is 26.5 secs Computing kpt #: 468 total cpu time spent up to now is 26.5 secs Computing kpt #: 469 total cpu time spent up to now is 26.6 secs Computing kpt #: 470 total cpu time spent up to now is 26.6 secs Computing kpt #: 471 total cpu time spent up to now is 26.7 secs Computing kpt #: 472 total cpu time spent up to now is 26.7 secs Computing kpt #: 473 total cpu time spent up to now is 26.8 secs Computing kpt #: 474 total cpu time spent up to now is 26.9 secs Computing kpt #: 475 total cpu time spent up to now is 26.9 secs Computing kpt #: 476 total cpu time spent up to now is 27.0 secs Computing kpt #: 477 total cpu time spent up to now is 27.1 secs Computing kpt #: 478 total cpu time spent up to now is 27.1 secs Computing kpt #: 479 total cpu time spent up to now is 27.2 secs Computing kpt #: 480 total cpu time spent up to now is 27.3 secs Computing kpt #: 481 total cpu time spent up to now is 27.3 secs Computing kpt #: 482 total cpu time spent up to now is 27.4 secs Computing kpt #: 483 total cpu time spent up to now is 27.5 secs Computing kpt #: 484 total cpu time spent up to now is 27.6 secs Computing kpt #: 485 total cpu time spent up to now is 27.6 secs Computing kpt #: 486 total cpu time spent up to now is 27.7 secs Computing kpt #: 487 total cpu time spent up to now is 27.7 secs Computing kpt #: 488 total cpu time spent up to now is 27.8 secs Computing kpt #: 489 total cpu time spent up to now is 27.9 secs Computing kpt #: 490 total cpu time spent up to now is 27.9 secs Computing kpt #: 491 total cpu time spent up to now is 28.0 secs Computing kpt #: 492 total cpu time spent up to now is 28.1 secs Computing kpt #: 493 total cpu time spent up to now is 28.1 secs Computing kpt #: 494 total cpu time spent up to now is 28.2 secs Computing kpt #: 495 total cpu time spent up to now is 28.3 secs Computing kpt #: 496 total cpu time spent up to now is 28.3 secs Computing kpt #: 497 total cpu time spent up to now is 28.4 secs Computing kpt #: 498 total cpu time spent up to now is 28.5 secs Computing kpt #: 499 total cpu time spent up to now is 28.5 secs Computing kpt #: 500 total cpu time spent up to now is 28.6 secs Computing kpt #: 501 total cpu time spent up to now is 28.7 secs Computing kpt #: 502 total cpu time spent up to now is 28.7 secs Computing kpt #: 503 total cpu time spent up to now is 28.8 secs Computing kpt #: 504 total cpu time spent up to now is 28.9 secs Computing kpt #: 505 total cpu time spent up to now is 29.0 secs Computing kpt #: 506 total cpu time spent up to now is 29.0 secs Computing kpt #: 507 total cpu time spent up to now is 29.1 secs Computing kpt #: 508 total cpu time spent up to now is 29.2 secs Computing kpt #: 509 total cpu time spent up to now is 29.2 secs Computing kpt #: 510 total cpu time spent up to now is 29.3 secs Computing kpt #: 511 total cpu time spent up to now is 29.4 secs Computing kpt #: 512 total cpu time spent up to now is 29.4 secs Computing kpt #: 513 total cpu time spent up to now is 29.5 secs Computing kpt #: 514 total cpu time spent up to now is 29.6 secs Computing kpt #: 515 total cpu time spent up to now is 29.7 secs Computing kpt #: 516 total cpu time spent up to now is 29.7 secs Computing kpt #: 517 total cpu time spent up to now is 29.8 secs Computing kpt #: 518 total cpu time spent up to now is 29.9 secs Computing kpt #: 519 total cpu time spent up to now is 30.0 secs Computing kpt #: 520 total cpu time spent up to now is 30.0 secs Computing kpt #: 521 total cpu time spent up to now is 30.1 secs Computing kpt #: 522 total cpu time spent up to now is 30.2 secs Computing kpt #: 523 total cpu time spent up to now is 30.3 secs Computing kpt #: 524 total cpu time spent up to now is 30.4 secs Computing kpt #: 525 total cpu time spent up to now is 30.5 secs Computing kpt #: 526 total cpu time spent up to now is 30.6 secs Computing kpt #: 527 total cpu time spent up to now is 30.6 secs Computing kpt #: 528 total cpu time spent up to now is 30.7 secs Computing kpt #: 529 total cpu time spent up to now is 30.8 secs Computing kpt #: 530 total cpu time spent up to now is 30.9 secs ethr = 7.14E-08, avg # of iterations = 10.4 total cpu time spent up to now is 30.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 779 PWs) bands (ev): -45.0957 -45.0957 -20.4541 -20.4541 -17.9462 -17.9462 -17.8275 -17.8275 9.7661 9.7661 12.5512 12.5512 15.2149 15.2149 15.3958 15.3958 18.8948 18.8948 19.0231 19.0231 29.0922 29.0922 k = 0.0078 0.0045-0.0000 ( 775 PWs) bands (ev): -45.0955 -45.0955 -20.4543 -20.4543 -17.9462 -17.9462 -17.8278 -17.8278 9.7681 9.7681 12.5521 12.5521 15.2149 15.2149 15.3958 15.3958 18.8935 18.8935 19.0217 19.0217 29.0965 29.0965 k = 0.0156 0.0090-0.0000 ( 775 PWs) bands (ev): -45.0953 -45.0953 -20.4548 -20.4548 -17.9465 -17.9465 -17.8289 -17.8289 9.7744 9.7744 12.5549 12.5549 15.2144 15.2144 15.3959 15.3959 18.8894 18.8894 19.0178 19.0178 29.1095 29.1095 k = 0.0234 0.0135-0.0000 ( 777 PWs) bands (ev): -45.0950 -45.0950 -20.4556 -20.4556 -17.9470 -17.9470 -17.8307 -17.8307 9.7847 9.7847 12.5595 12.5595 15.2130 15.2130 15.3970 15.3970 18.8823 18.8823 19.0115 19.0115 29.1310 29.1310 k = 0.0312 0.0180-0.0000 ( 783 PWs) bands (ev): -45.0947 -45.0947 -20.4569 -20.4569 -17.9477 -17.9477 -17.8333 -17.8333 9.7992 9.7992 12.5659 12.5659 15.2094 15.2094 15.4000 15.4000 18.8717 18.8717 19.0033 19.0033 29.1610 29.1610 k = 0.0391 0.0226-0.0000 ( 785 PWs) bands (ev): -45.0941 -45.0941 -20.4585 -20.4585 -17.9486 -17.9486 -17.8366 -17.8366 9.8177 9.8177 12.5742 12.5742 15.2026 15.2026 15.4062 15.4062 18.8574 18.8574 18.9939 18.9939 29.1993 29.1994 k = 0.0469 0.0271-0.0000 ( 789 PWs) bands (ev): -45.0934 -45.0934 -20.4604 -20.4604 -17.9497 -17.9497 -17.8405 -17.8405 9.8403 9.8403 12.5843 12.5843 15.1917 15.1917 15.4168 15.4168 18.8387 18.8387 18.9838 18.9838 29.2459 29.2459 k = 0.0547 0.0316-0.0000 ( 789 PWs) bands (ev): -45.0924 -45.0924 -20.4625 -20.4625 -17.9511 -17.9511 -17.8450 -17.8450 9.8668 9.8668 12.5961 12.5961 15.1760 15.1760 15.4323 15.4323 18.8155 18.8155 18.9734 18.9734 29.3004 29.3004 k = 0.0625 0.0361-0.0000 ( 789 PWs) bands (ev): -45.0913 -45.0913 -20.4651 -20.4651 -17.9527 -17.9527 -17.8500 -17.8500 9.8973 9.8973 12.6097 12.6097 15.1557 15.1557 15.4530 15.4530 18.7876 18.7876 18.9631 18.9631 29.3627 29.3627 k = 0.0703 0.0406-0.0000 ( 793 PWs) bands (ev): -45.0902 -45.0902 -20.4680 -20.4680 -17.9547 -17.9547 -17.8556 -17.8556 9.9316 9.9316 12.6251 12.6251 15.1311 15.1311 15.4786 15.4786 18.7551 18.7551 18.9529 18.9529 29.4321 29.4321 k = 0.0781 0.0451-0.0000 ( 793 PWs) bands (ev): -45.0888 -45.0888 -20.4711 -20.4711 -17.9570 -17.9570 -17.8615 -17.8615 9.9696 9.9696 12.6421 12.6421 15.1027 15.1027 15.5088 15.5088 18.7183 18.7183 18.9428 18.9428 29.5075 29.5075 k = 0.0859 0.0496-0.0000 ( 797 PWs) bands (ev): -45.0874 -45.0874 -20.4747 -20.4747 -17.9597 -17.9597 -17.8679 -17.8679 10.0114 10.0114 12.6607 12.6607 15.0710 15.0710 15.5435 15.5435 18.6775 18.6775 18.9327 18.9327 29.5857 29.5857 k = 0.0938 0.0541-0.0000 ( 797 PWs) bands (ev): -45.0858 -45.0858 -20.4785 -20.4785 -17.9630 -17.9630 -17.8744 -17.8744 10.0567 10.0567 12.6809 12.6809 15.0364 15.0364 15.5824 15.5824 18.6330 18.6330 18.9226 18.9226 29.6658 29.6658 k = 0.1016 0.0586-0.0000 ( 801 PWs) bands (ev): -45.0841 -45.0841 -20.4826 -20.4826 -17.9669 -17.9669 -17.8810 -17.8810 10.1054 10.1054 12.7026 12.7026 14.9996 14.9996 15.6252 15.6252 18.5852 18.5852 18.9123 18.9123 29.7476 29.7476 k = 0.1094 0.0631-0.0000 ( 803 PWs) bands (ev): -45.0823 -45.0823 -20.4871 -20.4871 -17.9715 -17.9715 -17.8876 -17.8876 10.1575 10.1575 12.7258 12.7258 14.9608 14.9608 15.6718 15.6718 18.5345 18.5345 18.9018 18.9018 29.8299 29.8299 k = 0.1172 0.0677-0.0000 ( 799 PWs) bands (ev): -45.0801 -45.0801 -20.4917 -20.4917 -17.9769 -17.9769 -17.8938 -17.8938 10.2127 10.2127 12.7502 12.7502 14.9207 14.9207 15.7221 15.7221 18.4811 18.4811 18.8910 18.8910 29.9106 29.9106 k = 0.1250 0.0722-0.0000 ( 799 PWs) bands (ev): -45.0779 -45.0779 -20.4967 -20.4967 -17.9833 -17.9833 -17.8998 -17.8998 10.2709 10.2709 12.7759 12.7759 14.8796 14.8796 15.7759 15.7759 18.4254 18.4254 18.8799 18.8799 29.9870 29.9870 k = 0.1328 0.0767-0.0000 ( 805 PWs) bands (ev): -45.0759 -45.0759 -20.5021 -20.5021 -17.9907 -17.9907 -17.9055 -17.9055 10.3320 10.3320 12.8025 12.8025 14.8381 14.8381 15.8331 15.8331 18.3675 18.3675 18.8685 18.8685 30.0552 30.0552 k = 0.1406 0.0812-0.0000 ( 805 PWs) bands (ev): -45.0736 -45.0736 -20.5077 -20.5077 -17.9990 -17.9990 -17.9106 -17.9106 10.3958 10.3958 12.8301 12.8301 14.7965 14.7965 15.8937 15.8937 18.3079 18.3079 18.8569 18.8569 30.1105 30.1105 k = 0.1484 0.0857-0.0000 ( 805 PWs) bands (ev): -45.0711 -45.0711 -20.5135 -20.5135 -18.0083 -18.0083 -17.9151 -17.9151 10.4621 10.4621 12.8584 12.8584 14.7555 14.7555 15.9576 15.9576 18.2467 18.2467 18.8449 18.8449 30.1468 30.1468 k = 0.1562 0.0902-0.0000 ( 805 PWs) bands (ev): -45.0685 -45.0685 -20.5196 -20.5196 -18.0186 -18.0186 -17.9192 -17.9192 10.5306 10.5306 12.8871 12.8871 14.7156 14.7156 16.0246 16.0246 18.1841 18.1841 18.8326 18.8326 30.1575 30.1575 k = 0.1641 0.0947-0.0000 ( 805 PWs) bands (ev): -45.0659 -45.0659 -20.5260 -20.5260 -18.0296 -18.0296 -17.9229 -17.9229 10.6011 10.6011 12.9159 12.9159 14.6773 14.6773 16.0947 16.0947 18.1205 18.1205 18.8200 18.8200 30.1369 30.1369 k = 0.1719 0.0992-0.0000 ( 805 PWs) bands (ev): -45.0632 -45.0632 -20.5325 -20.5325 -18.0414 -18.0414 -17.9261 -17.9261 10.6735 10.6735 12.9446 12.9446 14.6414 14.6414 16.1678 16.1678 18.0560 18.0560 18.8071 18.8071 30.0821 30.0821 k = 0.1797 0.1037-0.0000 ( 805 PWs) bands (ev): -45.0604 -45.0604 -20.5394 -20.5394 -18.0539 -18.0539 -17.9290 -17.9290 10.7473 10.7473 12.9727 12.9727 14.6085 14.6085 16.2437 16.2437 17.9909 17.9909 18.7941 18.7941 29.9941 29.9941 k = 0.1875 0.1083-0.0000 ( 809 PWs) bands (ev): -45.0577 -45.0577 -20.5464 -20.5464 -18.0669 -18.0669 -17.9317 -17.9317 10.8224 10.8224 12.9998 12.9998 14.5794 14.5794 16.3225 16.3225 17.9253 17.9253 18.7808 18.7808 29.8773 29.8773 k = 0.1953 0.1128-0.0000 ( 809 PWs) bands (ev): -45.0547 -45.0547 -20.5537 -20.5537 -18.0803 -18.0803 -17.9342 -17.9342 10.8984 10.8984 13.0255 13.0255 14.5548 14.5548 16.4039 16.4039 17.8595 17.8595 18.7673 18.7673 29.7377 29.7377 k = 0.2031 0.1173-0.0000 ( 807 PWs) bands (ev): -45.0517 -45.0517 -20.5610 -20.5610 -18.0940 -18.0940 -17.9364 -17.9364 10.9749 10.9749 13.0493 13.0493 14.5355 14.5355 16.4879 16.4879 17.7936 17.7936 18.7537 18.7537 29.5810 29.5810 k = 0.2109 0.1218-0.0000 ( 807 PWs) bands (ev): -45.0487 -45.0487 -20.5686 -20.5686 -18.1080 -18.1080 -17.9384 -17.9384 11.0518 11.0518 13.0707 13.0707 14.5224 14.5224 16.5744 16.5744 17.7279 17.7279 18.7399 18.7399 29.4120 29.4120 k = 0.2188 0.1263-0.0000 ( 803 PWs) bands (ev): -45.0454 -45.0454 -20.5763 -20.5763 -18.1222 -18.1222 -17.9403 -17.9403 11.1285 11.1285 13.0892 13.0892 14.5161 14.5161 16.6632 16.6632 17.6624 17.6624 18.7260 18.7260 29.2344 29.2344 k = 0.2266 0.1308-0.0000 ( 803 PWs) bands (ev): -45.0423 -45.0423 -20.5842 -20.5842 -18.1366 -18.1366 -17.9421 -17.9421 11.2046 11.2046 13.1046 13.1046 14.5174 14.5174 16.7541 16.7541 17.5974 17.5974 18.7121 18.7121 29.0508 29.0508 k = 0.2344 0.1353-0.0000 ( 803 PWs) bands (ev): -45.0392 -45.0392 -20.5922 -20.5922 -18.1511 -18.1511 -17.9438 -17.9438 11.2798 11.2798 13.1167 13.1167 14.5268 14.5268 16.8470 16.8470 17.5332 17.5332 18.6982 18.6982 28.8634 28.8634 k = 0.2422 0.1398-0.0000 ( 799 PWs) bands (ev): -45.0359 -45.0359 -20.6002 -20.6002 -18.1657 -18.1657 -17.9454 -17.9454 11.3536 11.3536 13.1255 13.1255 14.5446 14.5446 16.9416 16.9416 17.4699 17.4699 18.6843 18.6843 28.6735 28.6735 k = 0.2500 0.1443-0.0000 ( 795 PWs) bands (ev): -45.0326 -45.0326 -20.6084 -20.6084 -18.1801 -18.1801 -17.9469 -17.9469 11.4255 11.4255 13.1311 13.1311 14.5709 14.5709 17.0373 17.0373 17.4082 17.4082 18.6704 18.6704 28.4823 28.4823 k = 0.2578 0.1488-0.0000 ( 795 PWs) bands (ev): -45.0294 -45.0294 -20.6166 -20.6166 -18.1947 -18.1947 -17.9483 -17.9483 11.4951 11.4951 13.1341 13.1341 14.6056 14.6056 17.1322 17.1322 17.3497 17.3497 18.6565 18.6565 28.2907 28.2907 k = 0.2656 0.1534-0.0000 ( 795 PWs) bands (ev): -45.0263 -45.0263 -20.6250 -20.6250 -18.2091 -18.2091 -17.9497 -17.9497 11.5617 11.5617 13.1350 13.1350 14.6486 14.6486 17.2130 17.2130 17.3080 17.3080 18.6428 18.6428 28.0993 28.0993 k = 0.2734 0.1579-0.0000 ( 798 PWs) bands (ev): -45.0233 -45.0233 -20.6333 -20.6333 -18.2234 -18.2234 -17.9511 -17.9511 11.6249 11.6249 13.1345 13.1345 14.6994 14.6994 17.2051 17.2051 17.3574 17.3574 18.6293 18.6293 27.9087 27.9087 k = 0.2812 0.1624-0.0000 ( 802 PWs) bands (ev): -45.0203 -45.0203 -20.6417 -20.6417 -18.2376 -18.2376 -17.9524 -17.9524 11.6841 11.6841 13.1336 13.1336 14.7575 14.7575 17.1534 17.1534 17.4530 17.4530 18.6160 18.6160 27.7194 27.7194 k = 0.2891 0.1669-0.0000 ( 802 PWs) bands (ev): -45.0172 -45.0172 -20.6501 -20.6501 -18.2515 -18.2515 -17.9536 -17.9536 11.7389 11.7389 13.1329 13.1329 14.8223 14.8223 17.0981 17.0981 17.5545 17.5545 18.6028 18.6028 27.5318 27.5318 k = 0.2969 0.1714-0.0000 ( 798 PWs) bands (ev): -45.0140 -45.0140 -20.6583 -20.6583 -18.2651 -18.2651 -17.9547 -17.9547 11.7886 11.7886 13.1335 13.1335 14.8933 14.8933 17.0430 17.0430 17.6578 17.6578 18.5900 18.5900 27.3462 27.3462 k = 0.3047 0.1759-0.0000 ( 800 PWs) bands (ev): -45.0111 -45.0111 -20.6666 -20.6666 -18.2785 -18.2785 -17.9558 -17.9558 11.8330 11.8330 13.1359 13.1359 14.9698 14.9698 16.9889 16.9889 17.7620 17.7620 18.5776 18.5776 27.1629 27.1629 k = 0.3125 0.1804-0.0000 ( 800 PWs) bands (ev): -45.0081 -45.0081 -20.6747 -20.6747 -18.2916 -18.2916 -17.9568 -17.9568 11.8716 11.8716 13.1409 13.1409 15.0512 15.0512 16.9363 16.9363 17.8666 17.8666 18.5656 18.5656 26.9822 26.9822 k = 0.3203 0.1849-0.0000 ( 796 PWs) bands (ev): -45.0051 -45.0051 -20.6827 -20.6827 -18.3043 -18.3043 -17.9577 -17.9577 11.9044 11.9044 13.1488 13.1488 15.1369 15.1369 16.8851 16.8851 17.9710 17.9710 18.5542 18.5542 26.8046 26.8046 k = 0.3281 0.1894-0.0000 ( 796 PWs) bands (ev): -45.0023 -45.0023 -20.6906 -20.6906 -18.3167 -18.3167 -17.9587 -17.9587 11.9312 11.9312 13.1601 13.1601 15.2262 15.2262 16.8357 16.8357 18.0747 18.0747 18.5437 18.5437 26.6300 26.6300 k = 0.3359 0.1940-0.0000 ( 796 PWs) bands (ev): -44.9995 -44.9995 -20.6983 -20.6983 -18.3287 -18.3287 -17.9596 -17.9596 11.9522 11.9522 13.1746 13.1746 15.3186 15.3186 16.7880 16.7880 18.1770 18.1770 18.5345 18.5345 26.4590 26.4590 k = 0.3438 0.1985-0.0000 ( 796 PWs) bands (ev): -44.9968 -44.9968 -20.7059 -20.7059 -18.3403 -18.3403 -17.9604 -17.9604 11.9677 11.9677 13.1924 13.1924 15.4135 15.4135 16.7421 16.7421 18.2761 18.2761 18.5280 18.5280 26.2918 26.2918 k = 0.3516 0.2030-0.0000 ( 800 PWs) bands (ev): -44.9944 -44.9944 -20.7133 -20.7133 -18.3515 -18.3515 -17.9612 -17.9612 11.9782 11.9782 13.2130 13.2130 15.5102 15.5102 16.6981 16.6981 18.3673 18.3673 18.5286 18.5286 26.1286 26.1286 k = 0.3594 0.2075-0.0000 ( 800 PWs) bands (ev): -44.9919 -44.9919 -20.7205 -20.7205 -18.3622 -18.3622 -17.9619 -17.9619 11.9843 11.9843 13.2361 13.2361 15.6081 15.6081 16.6561 16.6561 18.4332 18.4332 18.5535 18.5535 25.9699 25.9699 k = 0.3672 0.2120-0.0000 ( 800 PWs) bands (ev): -44.9895 -44.9895 -20.7274 -20.7274 -18.3724 -18.3724 -17.9626 -17.9626 11.9865 11.9865 13.2612 13.2612 15.7066 15.7066 16.6161 16.6161 18.4551 18.4551 18.6209 18.6209 25.8158 25.8158 k = 0.3750 0.2165-0.0000 ( 796 PWs) bands (ev): -44.9870 -44.9870 -20.7340 -20.7340 -18.3821 -18.3821 -17.9632 -17.9632 11.9855 11.9855 13.2877 13.2877 15.8050 15.8050 16.5782 16.5782 18.4559 18.4559 18.7076 18.7076 25.6669 25.6669 k = 0.3828 0.2210-0.0000 ( 800 PWs) bands (ev): -44.9850 -44.9850 -20.7404 -20.7404 -18.3914 -18.3914 -17.9639 -17.9639 11.9820 11.9820 13.3151 13.3151 15.9026 15.9026 16.5425 16.5425 18.4513 18.4513 18.7977 18.7977 25.5234 25.5234 k = 0.3906 0.2255-0.0000 ( 796 PWs) bands (ev): -44.9827 -44.9827 -20.7464 -20.7464 -18.4000 -18.4000 -17.9644 -17.9644 11.9764 11.9764 13.3428 13.3428 15.9987 15.9987 16.5089 16.5089 18.4450 18.4450 18.8867 18.8867 25.3857 25.3857 k = 0.3984 0.2300-0.0000 ( 796 PWs) bands (ev): -44.9808 -44.9808 -20.7521 -20.7521 -18.4082 -18.4082 -17.9649 -17.9649 11.9693 11.9693 13.3704 13.3704 16.0925 16.0925 16.4778 16.4778 18.4383 18.4383 18.9732 18.9732 25.2544 25.2544 k = 0.4062 0.2345-0.0000 ( 796 PWs) bands (ev): -44.9789 -44.9789 -20.7575 -20.7575 -18.4158 -18.4158 -17.9654 -17.9654 11.9612 11.9612 13.3974 13.3974 16.1832 16.1832 16.4492 16.4492 18.4317 18.4317 19.0561 19.0561 25.1298 25.1298 k = 0.4141 0.2391-0.0000 ( 796 PWs) bands (ev): -44.9772 -44.9772 -20.7625 -20.7625 -18.4228 -18.4228 -17.9658 -17.9658 11.9525 11.9525 13.4236 13.4236 16.2691 16.2691 16.4240 16.4240 18.4253 18.4253 19.1350 19.1350 25.0124 25.0124 k = 0.4219 0.2436-0.0000 ( 796 PWs) bands (ev): -44.9757 -44.9757 -20.7672 -20.7672 -18.4292 -18.4292 -17.9662 -17.9662 11.9436 11.9436 13.4484 13.4484 16.3437 16.3437 16.4081 16.4081 18.4193 18.4193 19.2091 19.2091 24.9028 24.9028 k = 0.4297 0.2481-0.0000 ( 792 PWs) bands (ev): -44.9741 -44.9741 -20.7714 -20.7714 -18.4351 -18.4351 -17.9665 -17.9665 11.9348 11.9348 13.4716 13.4716 16.3625 16.3625 16.4452 16.4452 18.4138 18.4138 19.2779 19.2779 24.8014 24.8014 k = 0.4375 0.2526-0.0000 ( 792 PWs) bands (ev): -44.9728 -44.9728 -20.7752 -20.7752 -18.4403 -18.4403 -17.9669 -17.9669 11.9262 11.9262 13.4931 13.4931 16.3474 16.3474 16.5129 16.5129 18.4088 18.4088 19.3411 19.3411 24.7087 24.7087 k = 0.4453 0.2571-0.0000 ( 798 PWs) bands (ev): -44.9719 -44.9719 -20.7787 -20.7787 -18.4451 -18.4451 -17.9672 -17.9672 11.9183 11.9183 13.5124 13.5124 16.3309 16.3309 16.5777 16.5777 18.4042 18.4042 19.3980 19.3980 24.6254 24.6254 k = 0.4531 0.2616-0.0000 ( 798 PWs) bands (ev): -44.9709 -44.9709 -20.7817 -20.7817 -18.4492 -18.4492 -17.9674 -17.9674 11.9110 11.9110 13.5296 13.5296 16.3160 16.3160 16.6361 16.6361 18.4003 18.4003 19.4483 19.4483 24.5520 24.5520 k = 0.4609 0.2661-0.0000 ( 798 PWs) bands (ev): -44.9700 -44.9700 -20.7842 -20.7842 -18.4526 -18.4526 -17.9676 -17.9676 11.9047 11.9047 13.5443 13.5443 16.3031 16.3031 16.6869 16.6869 18.3969 18.3969 19.4916 19.4916 24.4888 24.4888 k = 0.4688 0.2706-0.0000 ( 798 PWs) bands (ev): -44.9693 -44.9693 -20.7863 -20.7863 -18.4554 -18.4554 -17.9678 -17.9678 11.8993 11.8993 13.5566 13.5566 16.2925 16.2925 16.7295 16.7295 18.3942 18.3942 19.5276 19.5276 24.4365 24.4365 k = 0.4766 0.2751-0.0000 ( 798 PWs) bands (ev): -44.9688 -44.9688 -20.7880 -20.7880 -18.4576 -18.4576 -17.9679 -17.9679 11.8950 11.8950 13.5662 13.5662 16.2842 16.2842 16.7632 16.7632 18.3920 18.3920 19.5559 19.5559 24.3953 24.3953 k = 0.4844 0.2797-0.0000 ( 798 PWs) bands (ev): -44.9684 -44.9684 -20.7891 -20.7891 -18.4592 -18.4592 -17.9680 -17.9680 11.8919 11.8919 13.5731 13.5731 16.2783 16.2783 16.7876 16.7876 18.3905 18.3905 19.5763 19.5763 24.3656 24.3656 k = 0.4922 0.2842-0.0000 ( 798 PWs) bands (ev): -44.9681 -44.9681 -20.7898 -20.7898 -18.4602 -18.4602 -17.9681 -17.9681 11.8901 11.8901 13.5773 13.5773 16.2747 16.2747 16.8024 16.8024 18.3895 18.3895 19.5886 19.5886 24.3477 24.3477 k = 0.5000 0.2887-0.0000 ( 804 PWs) bands (ev): -44.9683 -44.9683 -20.7902 -20.7902 -18.4605 -18.4605 -17.9682 -17.9682 11.8894 11.8894 13.5787 13.5787 16.2735 16.2735 16.8074 16.8074 18.3892 18.3892 19.5927 19.5927 24.3417 24.3417 k = 0.5000 0.2887-0.0000 ( 804 PWs) bands (ev): -44.9683 -44.9683 -20.7902 -20.7902 -18.4605 -18.4605 -17.9682 -17.9682 11.8894 11.8894 13.5787 13.5787 16.2735 16.2735 16.8074 16.8074 18.3892 18.3892 19.5927 19.5927 24.3417 24.3417 k = 0.4955 0.2965-0.0000 ( 802 PWs) bands (ev): -44.9682 -44.9682 -20.7902 -20.7902 -18.4605 -18.4605 -17.9683 -17.9683 11.8920 11.8920 13.5790 13.5790 16.2741 16.2741 16.8022 16.8022 18.3876 18.3876 19.5984 19.5984 24.3402 24.3402 k = 0.4910 0.3043-0.0000 ( 798 PWs) bands (ev): -44.9680 -44.9680 -20.7901 -20.7901 -18.4606 -18.4606 -17.9689 -17.9689 11.8996 11.8996 13.5800 13.5800 16.2760 16.2760 16.7867 16.7867 18.3826 18.3826 19.6155 19.6155 24.3355 24.3355 k = 0.4865 0.3121-0.0000 ( 802 PWs) bands (ev): -44.9680 -44.9680 -20.7902 -20.7902 -18.4607 -18.4607 -17.9699 -17.9699 11.9122 11.9122 13.5817 13.5817 16.2791 16.2791 16.7613 16.7613 18.3744 18.3744 19.6435 19.6435 24.3278 24.3278 k = 0.4820 0.3199-0.0000 ( 802 PWs) bands (ev): -44.9678 -44.9678 -20.7903 -20.7903 -18.4609 -18.4609 -17.9713 -17.9713 11.9299 11.9299 13.5841 13.5841 16.2834 16.2834 16.7267 16.7267 18.3629 18.3629 19.6818 19.6818 24.3170 24.3170 k = 0.4775 0.3277-0.0000 ( 802 PWs) bands (ev): -44.9676 -44.9676 -20.7904 -20.7904 -18.4611 -18.4611 -17.9730 -17.9730 11.9526 11.9526 13.5872 13.5872 16.2889 16.2889 16.6836 16.6836 18.3483 18.3483 19.7298 19.7298 24.3033 24.3033 k = 0.4730 0.3355-0.0000 ( 802 PWs) bands (ev): -44.9673 -44.9673 -20.7905 -20.7905 -18.4613 -18.4613 -17.9750 -17.9750 11.9801 11.9801 13.5908 13.5908 16.2955 16.2955 16.6329 16.6329 18.3305 18.3305 19.7866 19.7866 24.2865 24.2865 k = 0.4685 0.3433-0.0000 ( 800 PWs) bands (ev): -44.9669 -44.9669 -20.7907 -20.7907 -18.4616 -18.4616 -17.9774 -17.9774 12.0126 12.0126 13.5951 13.5951 16.3033 16.3033 16.5755 16.5755 18.3096 18.3096 19.8513 19.8513 24.2669 24.2669 k = 0.4640 0.3511-0.0000 ( 796 PWs) bands (ev): -44.9664 -44.9664 -20.7908 -20.7908 -18.4619 -18.4619 -17.9801 -17.9801 12.0497 12.0497 13.6001 13.6001 16.3120 16.3120 16.5127 16.5127 18.2859 18.2859 19.9231 19.9231 24.2444 24.2444 k = 0.4595 0.3589-0.0000 ( 796 PWs) bands (ev): -44.9660 -44.9660 -20.7910 -20.7910 -18.4623 -18.4623 -17.9831 -17.9831 12.0916 12.0916 13.6056 13.6056 16.3211 16.3211 16.4456 16.4456 18.2593 18.2593 20.0012 20.0012 24.2192 24.2192 k = 0.4550 0.3667-0.0000 ( 796 PWs) bands (ev): -44.9655 -44.9655 -20.7912 -20.7912 -18.4627 -18.4627 -17.9863 -17.9863 12.1379 12.1379 13.6117 13.6117 16.3262 16.3262 16.3795 16.3795 18.2300 18.2300 20.0848 20.0848 24.1914 24.1914 k = 0.4505 0.3745-0.0000 ( 796 PWs) bands (ev): -44.9650 -44.9650 -20.7914 -20.7914 -18.4633 -18.4633 -17.9898 -17.9898 12.1887 12.1887 13.6183 13.6183 16.2859 16.2859 16.3565 16.3565 18.1982 18.1982 20.1734 20.1734 24.1611 24.1611 k = 0.4459 0.3823-0.0000 ( 804 PWs) bands (ev): -44.9648 -44.9648 -20.7918 -20.7918 -18.4640 -18.4640 -17.9936 -17.9936 12.2437 12.2437 13.6254 13.6254 16.2109 16.2109 16.3665 16.3665 18.1640 18.1640 20.2663 20.2663 24.1283 24.1283 k = 0.4414 0.3901-0.0000 ( 800 PWs) bands (ev): -44.9641 -44.9641 -20.7921 -20.7921 -18.4646 -18.4646 -17.9973 -17.9973 12.3029 12.3029 13.6330 13.6330 16.1306 16.1306 16.3807 16.3807 18.1276 18.1276 20.3629 20.3629 24.0934 24.0934 k = 0.4369 0.3979-0.0000 ( 800 PWs) bands (ev): -44.9635 -44.9635 -20.7925 -20.7925 -18.4654 -18.4654 -18.0013 -18.0013 12.3660 12.3660 13.6410 13.6410 16.0479 16.0479 16.3967 16.3967 18.0891 18.0891 20.4629 20.4629 24.0563 24.0563 k = 0.4324 0.4057-0.0000 ( 796 PWs) bands (ev): -44.9627 -44.9627 -20.7928 -20.7928 -18.4661 -18.4661 -18.0053 -18.0053 12.4328 12.4328 13.6494 13.6494 15.9636 15.9636 16.4140 16.4140 18.0488 18.0488 20.5659 20.5659 24.0173 24.0173 k = 0.4279 0.4135-0.0000 ( 796 PWs) bands (ev): -44.9621 -44.9621 -20.7932 -20.7932 -18.4670 -18.4670 -18.0095 -18.0095 12.5031 12.5031 13.6582 13.6582 15.8782 15.8782 16.4325 16.4325 18.0069 18.0069 20.6716 20.6716 23.9766 23.9766 k = 0.4234 0.4213-0.0000 ( 796 PWs) bands (ev): -44.9615 -44.9615 -20.7936 -20.7936 -18.4679 -18.4679 -18.0137 -18.0137 12.5767 12.5767 13.6673 13.6673 15.7922 15.7922 16.4522 16.4522 17.9634 17.9634 20.7796 20.7796 23.9344 23.9344 k = 0.4189 0.4291-0.0000 ( 796 PWs) bands (ev): -44.9608 -44.9608 -20.7941 -20.7941 -18.4690 -18.4690 -18.0178 -18.0178 12.6533 12.6533 13.6767 13.6767 15.7058 15.7058 16.4730 16.4730 17.9187 17.9187 20.8898 20.8898 23.8909 23.8909 k = 0.4144 0.4369-0.0000 ( 794 PWs) bands (ev): -44.9600 -44.9600 -20.7946 -20.7946 -18.4700 -18.4700 -18.0219 -18.0219 12.7327 12.7327 13.6863 13.6863 15.6194 15.6194 16.4949 16.4949 17.8729 17.8729 21.0019 21.0019 23.8463 23.8463 k = 0.4099 0.4447-0.0000 ( 794 PWs) bands (ev): -44.9594 -44.9594 -20.7951 -20.7951 -18.4712 -18.4712 -18.0260 -18.0260 12.8145 12.8145 13.6961 13.6961 15.5332 15.5332 16.5179 16.5179 17.8262 17.8262 21.1158 21.1158 23.8010 23.8010 k = 0.4054 0.4525-0.0000 ( 794 PWs) bands (ev): -44.9587 -44.9587 -20.7956 -20.7956 -18.4724 -18.4724 -18.0300 -18.0300 12.8984 12.8984 13.7061 13.7061 15.4474 15.4474 16.5419 16.5419 17.7787 17.7787 21.2313 21.2313 23.7552 23.7552 k = 0.4009 0.4603-0.0000 ( 794 PWs) bands (ev): -44.9580 -44.9580 -20.7962 -20.7962 -18.4737 -18.4737 -18.0338 -18.0338 12.9841 12.9841 13.7162 13.7162 15.3622 15.3622 16.5668 16.5668 17.7307 17.7307 21.3484 21.3484 23.7092 23.7092 k = 0.3964 0.4681-0.0000 ( 794 PWs) bands (ev): -44.9574 -44.9574 -20.7968 -20.7968 -18.4750 -18.4750 -18.0375 -18.0375 13.0711 13.0711 13.7264 13.7264 15.2779 15.2779 16.5928 16.5928 17.6823 17.6823 21.4668 21.4668 23.6634 23.6634 k = 0.3919 0.4759-0.0000 ( 794 PWs) bands (ev): -44.9567 -44.9567 -20.7974 -20.7974 -18.4764 -18.4764 -18.0410 -18.0410 13.1590 13.1590 13.7368 13.7368 15.1945 15.1945 16.6197 16.6197 17.6338 17.6338 21.5867 21.5867 23.6182 23.6182 k = 0.3874 0.4837-0.0000 ( 794 PWs) bands (ev): -44.9561 -44.9561 -20.7980 -20.7980 -18.4777 -18.4777 -18.0443 -18.0443 13.2472 13.2472 13.7475 13.7475 15.1122 15.1122 16.6475 16.6475 17.5852 17.5852 21.7078 21.7078 23.5739 23.5739 k = 0.3829 0.4915-0.0000 ( 794 PWs) bands (ev): -44.9555 -44.9555 -20.7987 -20.7987 -18.4791 -18.4791 -18.0473 -18.0473 13.3351 13.3351 13.7585 13.7585 15.0312 15.0312 16.6762 16.6762 17.5368 17.5368 21.8302 21.8302 23.5310 23.5310 k = 0.3784 0.4993-0.0000 ( 794 PWs) bands (ev): -44.9549 -44.9549 -20.7993 -20.7993 -18.4805 -18.4805 -18.0502 -18.0502 13.4218 13.4218 13.7703 13.7703 14.9517 14.9517 16.7057 16.7057 17.4888 17.4888 21.9538 21.9538 23.4900 23.4900 k = 0.3739 0.5071-0.0000 ( 790 PWs) bands (ev): -44.9542 -44.9542 -20.7998 -20.7998 -18.4817 -18.4817 -18.0527 -18.0527 13.5057 13.5057 13.7839 13.7839 14.8736 14.8736 16.7360 16.7360 17.4413 17.4413 22.0785 22.0785 23.4512 23.4512 k = 0.3694 0.5149-0.0000 ( 792 PWs) bands (ev): -44.9538 -44.9538 -20.8004 -20.8004 -18.4831 -18.4831 -18.0550 -18.0550 13.5845 13.5845 13.8011 13.8011 14.7971 14.7971 16.7671 16.7671 17.3944 17.3944 22.2044 22.2044 23.4152 23.4152 k = 0.3649 0.5227-0.0000 ( 792 PWs) bands (ev): -44.9533 -44.9533 -20.8010 -20.8010 -18.4843 -18.4843 -18.0571 -18.0571 13.6530 13.6530 13.8265 13.8265 14.7224 14.7224 16.7988 16.7988 17.3484 17.3484 22.3314 22.3314 23.3826 23.3826 k = 0.3604 0.5305-0.0000 ( 796 PWs) bands (ev): -44.9530 -44.9530 -20.8016 -20.8016 -18.4855 -18.4855 -18.0589 -18.0589 13.7041 13.7041 13.8666 13.8666 14.6495 14.6495 16.8310 16.8310 17.3035 17.3035 22.4596 22.4596 23.3539 23.3539 k = 0.3559 0.5383-0.0000 ( 796 PWs) bands (ev): -44.9527 -44.9527 -20.8021 -20.8021 -18.4865 -18.4865 -18.0604 -18.0604 13.7354 13.7354 13.9231 13.9231 14.5786 14.5786 16.8637 16.8637 17.2599 17.2599 22.5888 22.5888 23.3296 23.3296 k = 0.3514 0.5461-0.0000 ( 800 PWs) bands (ev): -44.9525 -44.9525 -20.8025 -20.8025 -18.4875 -18.4875 -18.0616 -18.0616 13.7532 13.7532 13.9892 13.9892 14.5096 14.5096 16.8965 16.8965 17.2179 17.2179 22.7192 22.7192 23.3104 23.3104 k = 0.3468 0.5539-0.0000 ( 800 PWs) bands (ev): -44.9523 -44.9523 -20.8029 -20.8029 -18.4882 -18.4882 -18.0626 -18.0626 13.7637 13.7637 14.0579 14.0579 14.4428 14.4428 16.9291 16.9291 17.1782 17.1782 22.8507 22.8507 23.2967 23.2967 k = 0.3423 0.5617-0.0000 ( 800 PWs) bands (ev): -44.9521 -44.9521 -20.8032 -20.8032 -18.4888 -18.4888 -18.0632 -18.0632 13.7700 13.7700 14.1256 14.1256 14.3784 14.3784 16.9601 16.9601 17.1419 17.1419 22.9833 22.9833 23.2891 23.2891 k = 0.3378 0.5695-0.0000 ( 798 PWs) bands (ev): -44.9519 -44.9519 -20.8033 -20.8033 -18.4891 -18.4891 -18.0636 -18.0636 13.7734 13.7734 14.1896 14.1896 14.3172 14.3172 16.9863 16.9863 17.1125 17.1125 23.1168 23.1168 23.2878 23.2878 k = 0.3333 0.5774-0.0000 ( 798 PWs) bands (ev): -44.9519 -44.9519 -20.8034 -20.8034 -18.4892 -18.4892 -18.0637 -18.0637 13.7744 13.7744 14.2351 14.2351 14.2727 14.2727 16.9980 16.9980 17.0997 17.0997 23.2413 23.2413 23.2630 23.2630 k = 0.3333 0.5774-0.0000 ( 798 PWs) bands (ev): -44.9519 -44.9519 -20.8034 -20.8034 -18.4892 -18.4892 -18.0637 -18.0637 13.7744 13.7744 14.2351 14.2351 14.2727 14.2727 16.9980 16.9980 17.0997 17.0997 23.2413 23.2413 23.2630 23.2630 k = 0.3288 0.5695-0.0000 ( 798 PWs) bands (ev): -44.9519 -44.9519 -20.8033 -20.8033 -18.4891 -18.4891 -18.0636 -18.0636 13.7734 13.7734 14.1928 14.1928 14.3138 14.3138 16.9866 16.9866 17.1122 17.1122 23.1090 23.1090 23.3103 23.3103 k = 0.3243 0.5617-0.0000 ( 798 PWs) bands (ev): -44.9520 -44.9520 -20.8031 -20.8031 -18.4887 -18.4887 -18.0632 -18.0632 13.7704 13.7704 14.1385 14.1385 14.3640 14.3640 16.9621 16.9621 17.1401 17.1401 22.9654 22.9654 23.3325 23.3325 k = 0.3198 0.5539-0.0000 ( 798 PWs) bands (ev): -44.9522 -44.9522 -20.8027 -20.8027 -18.4880 -18.4880 -18.0626 -18.0626 13.7654 13.7654 14.0857 14.0857 14.4095 14.4095 16.9340 16.9340 17.1737 17.1737 22.8224 22.8224 23.3634 23.3634 k = 0.3153 0.5461-0.0000 ( 802 PWs) bands (ev): -44.9527 -44.9527 -20.8023 -20.8023 -18.4870 -18.4870 -18.0619 -18.0619 13.7584 13.7584 14.0351 14.0351 14.4492 14.4492 16.9058 16.9058 17.2098 17.2098 22.6800 22.6800 23.4033 23.4033 k = 0.3108 0.5383-0.0000 ( 802 PWs) bands (ev): -44.9531 -44.9531 -20.8016 -20.8016 -18.4857 -18.4857 -18.0608 -18.0608 13.7492 13.7492 13.9870 13.9870 14.4829 14.4829 16.8786 16.8786 17.2473 17.2473 22.5382 22.5382 23.4523 23.4523 k = 0.3063 0.5305-0.0000 ( 802 PWs) bands (ev): -44.9536 -44.9536 -20.8007 -20.8007 -18.4841 -18.4841 -18.0596 -18.0596 13.7379 13.7379 13.9413 13.9413 14.5104 14.5104 16.8529 16.8529 17.2855 17.2855 22.3967 22.3967 23.5106 23.5106 k = 0.3018 0.5227-0.0000 ( 802 PWs) bands (ev): -44.9541 -44.9541 -20.7996 -20.7996 -18.4820 -18.4820 -18.0582 -18.0582 13.7243 13.7243 13.8982 13.8982 14.5315 14.5315 16.8291 16.8291 17.3243 17.3243 22.2553 22.2553 23.5783 23.5783 k = 0.2973 0.5149-0.0000 ( 794 PWs) bands (ev): -44.9545 -44.9545 -20.7982 -20.7982 -18.4795 -18.4795 -18.0565 -18.0565 13.7083 13.7083 13.8578 13.8578 14.5463 14.5463 16.8073 16.8073 17.3635 17.3635 22.1140 22.1140 23.6553 23.6553 k = 0.2928 0.5071-0.0000 ( 794 PWs) bands (ev): -44.9553 -44.9553 -20.7966 -20.7966 -18.4768 -18.4768 -18.0547 -18.0547 13.6897 13.6897 13.8200 13.8200 14.5549 14.5549 16.7876 16.7876 17.4031 17.4031 21.9724 21.9724 23.7416 23.7416 k = 0.2883 0.4993-0.0000 ( 794 PWs) bands (ev): -44.9561 -44.9561 -20.7948 -20.7948 -18.4736 -18.4736 -18.0528 -18.0528 13.6685 13.6685 13.7850 13.7850 14.5574 14.5574 16.7700 16.7700 17.4428 17.4428 21.8306 21.8306 23.8370 23.8370 k = 0.2838 0.4915-0.0000 ( 794 PWs) bands (ev): -44.9571 -44.9571 -20.7928 -20.7928 -18.4701 -18.4701 -18.0507 -18.0507 13.6446 13.6446 13.7526 13.7526 14.5542 14.5542 16.7548 16.7548 17.4828 17.4828 21.6882 21.6882 23.9412 23.9412 k = 0.2793 0.4837-0.0000 ( 790 PWs) bands (ev): -44.9581 -44.9581 -20.7904 -20.7904 -18.4660 -18.4660 -18.0485 -18.0485 13.6178 13.6178 13.7229 13.7229 14.5456 14.5456 16.7418 16.7418 17.5228 17.5228 21.5453 21.5453 24.0539 24.0539 k = 0.2748 0.4759-0.0000 ( 790 PWs) bands (ev): -44.9593 -44.9593 -20.7879 -20.7879 -18.4617 -18.4617 -18.0462 -18.0462 13.5880 13.5880 13.6960 13.6960 14.5319 14.5319 16.7313 16.7313 17.5629 17.5629 21.4017 21.4017 24.1748 24.1748 k = 0.2703 0.4681-0.0000 ( 790 PWs) bands (ev): -44.9606 -44.9606 -20.7850 -20.7850 -18.4569 -18.4569 -18.0437 -18.0437 13.5552 13.5552 13.6718 13.6718 14.5134 14.5134 16.7231 16.7231 17.6029 17.6029 21.2574 21.2574 24.3033 24.3033 k = 0.2658 0.4603-0.0000 ( 790 PWs) bands (ev): -44.9620 -44.9620 -20.7819 -20.7819 -18.4517 -18.4517 -18.0412 -18.0412 13.5193 13.5193 13.6504 13.6504 14.4907 14.4907 16.7174 16.7174 17.6430 17.6430 21.1122 21.1122 24.4391 24.4391 k = 0.2613 0.4525-0.0000 ( 790 PWs) bands (ev): -44.9635 -44.9635 -20.7785 -20.7785 -18.4461 -18.4461 -18.0386 -18.0386 13.4800 13.4800 13.6317 13.6317 14.4641 14.4641 16.7142 16.7142 17.6829 17.6829 20.9663 20.9663 24.5817 24.5817 k = 0.2568 0.4447-0.0000 ( 792 PWs) bands (ev): -44.9652 -44.9652 -20.7748 -20.7748 -18.4400 -18.4400 -18.0359 -18.0359 13.4375 13.4375 13.6158 13.6158 14.4341 14.4341 16.7134 16.7134 17.7227 17.7227 20.8195 20.8195 24.7305 24.7305 k = 0.2523 0.4369-0.0000 ( 792 PWs) bands (ev): -44.9670 -44.9670 -20.7708 -20.7708 -18.4336 -18.4336 -18.0331 -18.0331 13.3915 13.3915 13.6026 13.6026 14.4012 14.4012 16.7152 16.7152 17.7623 17.7623 20.6718 20.6718 24.8851 24.8851 k = 0.2477 0.4291-0.0000 ( 792 PWs) bands (ev): -44.9688 -44.9688 -20.7665 -20.7665 -18.4267 -18.4267 -18.0303 -18.0303 13.3420 13.3420 13.5923 13.5923 14.3656 14.3656 16.7195 16.7195 17.8017 17.8017 20.5234 20.5234 25.0448 25.0448 k = 0.2432 0.4213-0.0000 ( 792 PWs) bands (ev): -44.9707 -44.9707 -20.7619 -20.7619 -18.4194 -18.4194 -18.0274 -18.0274 13.2891 13.2891 13.5848 13.5848 14.3279 14.3279 16.7263 16.7263 17.8408 17.8408 20.3744 20.3744 25.2091 25.2091 k = 0.2387 0.4135-0.0000 ( 792 PWs) bands (ev): -44.9728 -44.9728 -20.7571 -20.7571 -18.4116 -18.4116 -18.0244 -18.0244 13.2328 13.2328 13.5800 13.5800 14.2884 14.2884 16.7357 16.7357 17.8796 17.8796 20.2247 20.2247 25.3776 25.3776 k = 0.2342 0.4057-0.0000 ( 796 PWs) bands (ev): -44.9751 -44.9751 -20.7520 -20.7520 -18.4035 -18.4035 -18.0215 -18.0215 13.1731 13.1731 13.5781 13.5781 14.2474 14.2474 16.7476 16.7476 17.9180 17.9180 20.0745 20.0745 25.5497 25.5497 k = 0.2297 0.3979-0.0000 ( 796 PWs) bands (ev): -44.9773 -44.9773 -20.7465 -20.7465 -18.3950 -18.3950 -18.0185 -18.0185 13.1101 13.1101 13.5789 13.5789 14.2052 14.2052 16.7620 16.7620 17.9561 17.9561 19.9240 19.9240 25.7249 25.7249 k = 0.2252 0.3901-0.0000 ( 796 PWs) bands (ev): -44.9796 -44.9796 -20.7408 -20.7408 -18.3860 -18.3860 -18.0155 -18.0155 13.0439 13.0439 13.5824 13.5824 14.1621 14.1621 16.7790 16.7790 17.9937 17.9937 19.7733 19.7733 25.9029 25.9029 k = 0.2207 0.3823-0.0000 ( 794 PWs) bands (ev): -44.9820 -44.9820 -20.7348 -20.7348 -18.3766 -18.3766 -18.0124 -18.0124 12.9747 12.9747 13.5886 13.5886 14.1182 14.1182 16.7984 16.7984 18.0309 18.0309 19.6226 19.6226 26.0831 26.0831 k = 0.2162 0.3745-0.0000 ( 794 PWs) bands (ev): -44.9845 -44.9845 -20.7286 -20.7286 -18.3669 -18.3669 -18.0093 -18.0093 12.9026 12.9026 13.5975 13.5975 14.0737 14.0737 16.8203 16.8203 18.0676 18.0676 19.4720 19.4720 26.2652 26.2652 k = 0.2117 0.3667-0.0000 ( 794 PWs) bands (ev): -44.9871 -44.9871 -20.7221 -20.7221 -18.3568 -18.3568 -18.0062 -18.0062 12.8277 12.8277 13.6091 13.6091 14.0289 14.0289 16.8447 16.8447 18.1037 18.1037 19.3218 19.3218 26.4489 26.4489 k = 0.2072 0.3589-0.0000 ( 794 PWs) bands (ev): -44.9897 -44.9897 -20.7154 -20.7154 -18.3463 -18.3463 -18.0031 -18.0031 12.7504 12.7504 13.6233 13.6233 13.9837 13.9837 16.8714 16.8714 18.1392 18.1392 19.1721 19.1721 26.6339 26.6339 k = 0.2027 0.3511-0.0000 ( 794 PWs) bands (ev): -44.9925 -44.9925 -20.7085 -20.7085 -18.3354 -18.3354 -18.0000 -18.0000 12.6708 12.6708 13.6401 13.6401 13.9384 13.9384 16.9006 16.9006 18.1741 18.1741 19.0234 19.0234 26.8198 26.8198 k = 0.1982 0.3433-0.0000 ( 794 PWs) bands (ev): -44.9953 -44.9953 -20.7014 -20.7014 -18.3242 -18.3242 -17.9969 -17.9969 12.5890 12.5890 13.6594 13.6594 13.8929 13.8929 16.9321 16.9321 18.2081 18.2081 18.8757 18.8757 27.0065 27.0065 k = 0.1937 0.3355-0.0000 ( 794 PWs) bands (ev): -44.9982 -44.9982 -20.6941 -20.6941 -18.3127 -18.3127 -17.9939 -17.9939 12.5055 12.5055 13.6811 13.6811 13.8474 13.8474 16.9659 16.9659 18.2413 18.2413 18.7295 18.7295 27.1939 27.1939 k = 0.1892 0.3277-0.0000 ( 794 PWs) bands (ev): -45.0011 -45.0011 -20.6866 -20.6866 -18.3008 -18.3008 -17.9909 -17.9909 12.4203 12.4203 13.7054 13.7054 13.8019 13.8019 17.0019 17.0019 18.2729 18.2729 18.5855 18.5855 27.3817 27.3817 k = 0.1847 0.3199-0.0000 ( 794 PWs) bands (ev): -45.0041 -45.0041 -20.6790 -20.6790 -18.2887 -18.2887 -17.9878 -17.9878 12.3336 12.3336 13.7319 13.7319 13.7564 13.7564 17.0401 17.0401 18.2999 18.2999 18.4472 18.4472 27.5699 27.5699 k = 0.1802 0.3121-0.0000 ( 796 PWs) bands (ev): -45.0072 -45.0072 -20.6712 -20.6712 -18.2763 -18.2763 -17.9848 -17.9848 12.2458 12.2458 13.7111 13.7111 13.7608 13.7608 17.0803 17.0803 18.2744 18.2744 18.3624 18.3624 27.7585 27.7585 k = 0.1757 0.3043-0.0000 ( 798 PWs) bands (ev): -45.0104 -45.0104 -20.6634 -20.6634 -18.2637 -18.2637 -17.9818 -17.9818 12.1570 12.1570 13.6659 13.6659 13.7919 13.7919 17.1226 17.1226 18.1487 18.1487 18.3792 18.3792 27.9473 27.9473 k = 0.1712 0.2965-0.0000 ( 798 PWs) bands (ev): -45.0135 -45.0135 -20.6555 -20.6555 -18.2508 -18.2508 -17.9788 -17.9788 12.0674 12.0674 13.6209 13.6209 13.8252 13.8252 17.1667 17.1667 18.0136 18.0136 18.4070 18.4070 28.1365 28.1365 k = 0.1667 0.2887-0.0000 ( 798 PWs) bands (ev): -45.0166 -45.0166 -20.6474 -20.6474 -18.2376 -18.2376 -17.9758 -17.9758 11.9773 11.9773 13.5761 13.5761 13.8606 13.8606 17.2124 17.2124 17.8797 17.8797 18.4356 18.4356 28.3260 28.3260 k = 0.1622 0.2809-0.0000 ( 798 PWs) bands (ev): -45.0198 -45.0198 -20.6394 -20.6394 -18.2243 -18.2243 -17.9729 -17.9729 11.8867 11.8867 13.5316 13.5316 13.8979 13.8979 17.2593 17.2593 17.7484 17.7484 18.4640 18.4640 28.5158 28.5158 k = 0.1577 0.2731-0.0000 ( 798 PWs) bands (ev): -45.0230 -45.0230 -20.6313 -20.6313 -18.2108 -18.2108 -17.9699 -17.9699 11.7960 11.7960 13.4874 13.4874 13.9371 13.9371 17.3062 17.3062 17.6214 17.6214 18.4918 18.4918 28.7059 28.7059 k = 0.1532 0.2653-0.0000 ( 798 PWs) bands (ev): -45.0262 -45.0262 -20.6231 -20.6231 -18.1971 -18.1971 -17.9670 -17.9670 11.7053 11.7053 13.4435 13.4435 13.9781 13.9781 17.3469 17.3469 17.5051 17.5051 18.5189 18.5189 28.8965 28.8965 k = 0.1486 0.2575-0.0000 ( 798 PWs) bands (ev): -45.0294 -45.0294 -20.6150 -20.6150 -18.1834 -18.1834 -17.9641 -17.9641 11.6148 11.6148 13.4001 13.4001 14.0208 14.0208 17.3291 17.3291 17.4517 17.4517 18.5453 18.5453 29.0874 29.0874 k = 0.1441 0.2497-0.0000 ( 798 PWs) bands (ev): -45.0326 -45.0326 -20.6070 -20.6070 -18.1695 -18.1695 -17.9613 -17.9613 11.5247 11.5247 13.3571 13.3571 14.0651 14.0651 17.2270 17.2270 17.4873 17.4873 18.5709 18.5709 29.2784 29.2784 k = 0.1396 0.2419-0.0000 ( 798 PWs) bands (ev): -45.0358 -45.0358 -20.5989 -20.5989 -18.1557 -18.1557 -17.9584 -17.9584 11.4352 11.4352 13.3147 13.3147 14.1108 14.1108 17.1133 17.1133 17.5390 17.5390 18.5957 18.5957 29.4694 29.4694 k = 0.1351 0.2341-0.0000 ( 798 PWs) bands (ev): -45.0389 -45.0389 -20.5910 -20.5910 -18.1418 -18.1418 -17.9555 -17.9555 11.3463 11.3463 13.2728 13.2728 14.1578 14.1578 17.0003 17.0003 17.5946 17.5946 18.6198 18.6198 29.6595 29.6595 k = 0.1306 0.2263-0.0000 ( 804 PWs) bands (ev): -45.0423 -45.0423 -20.5832 -20.5832 -18.1281 -18.1281 -17.9527 -17.9527 11.2584 11.2584 13.2315 13.2315 14.2060 14.2060 16.8899 16.8899 17.6522 17.6522 18.6430 18.6430 29.8463 29.8463 k = 0.1261 0.2185-0.0000 ( 804 PWs) bands (ev): -45.0455 -45.0455 -20.5755 -20.5755 -18.1144 -18.1144 -17.9497 -17.9497 11.1715 11.1715 13.1909 13.1909 14.2552 14.2552 16.7826 16.7826 17.7111 17.7111 18.6654 18.6654 30.0223 30.0223 k = 0.1216 0.2107-0.0000 ( 804 PWs) bands (ev): -45.0485 -45.0485 -20.5678 -20.5678 -18.1008 -18.1008 -17.9468 -17.9468 11.0859 11.0859 13.1510 13.1510 14.3053 14.3053 16.6788 16.6788 17.7711 17.7711 18.6870 18.6870 30.1651 30.1651 k = 0.1171 0.2029-0.0000 ( 804 PWs) bands (ev): -45.0516 -45.0516 -20.5603 -20.5603 -18.0874 -18.0874 -17.9437 -17.9437 11.0017 11.0017 13.1120 13.1120 14.3562 14.3562 16.5786 16.5786 17.8318 17.8318 18.7078 18.7078 30.2588 30.2588 k = 0.1126 0.1951-0.0000 ( 808 PWs) bands (ev): -45.0547 -45.0547 -20.5531 -20.5531 -18.0744 -18.0744 -17.9406 -17.9406 10.9190 10.9190 13.0738 13.0738 14.4075 14.4075 16.4822 16.4822 17.8930 17.8930 18.7278 18.7278 30.3176 30.3176 k = 0.1081 0.1872-0.0000 ( 808 PWs) bands (ev): -45.0577 -45.0577 -20.5459 -20.5459 -18.0617 -18.0617 -17.9373 -17.9373 10.8381 10.8381 13.0365 13.0365 14.4593 14.4593 16.3895 16.3895 17.9546 17.9546 18.7470 18.7470 30.3514 30.3514 k = 0.1036 0.1794-0.0000 ( 808 PWs) bands (ev): -45.0605 -45.0605 -20.5390 -20.5390 -18.0493 -18.0493 -17.9339 -17.9339 10.7591 10.7591 13.0001 13.0001 14.5112 14.5112 16.3006 16.3006 18.0163 18.0163 18.7654 18.7654 30.3631 30.3631 k = 0.0991 0.1716-0.0000 ( 808 PWs) bands (ev): -45.0633 -45.0633 -20.5322 -20.5322 -18.0375 -18.0375 -17.9302 -17.9302 10.6820 10.6820 12.9648 12.9648 14.5631 14.5631 16.2156 16.2156 18.0779 18.0779 18.7831 18.7831 30.3544 30.3544 k = 0.0946 0.1638-0.0000 ( 808 PWs) bands (ev): -45.0661 -45.0661 -20.5257 -20.5257 -18.0263 -18.0263 -17.9263 -17.9263 10.6072 10.6072 12.9306 12.9306 14.6148 14.6148 16.1346 16.1346 18.1392 18.1392 18.7999 18.7999 30.3273 30.3273 k = 0.0901 0.1560-0.0000 ( 808 PWs) bands (ev): -45.0687 -45.0687 -20.5194 -20.5194 -18.0158 -18.0158 -17.9220 -17.9220 10.5348 10.5348 12.8976 12.8976 14.6660 14.6660 16.0575 16.0575 18.1999 18.1999 18.8160 18.8160 30.2840 30.2840 k = 0.0856 0.1482-0.0000 ( 806 PWs) bands (ev): -45.0712 -45.0712 -20.5133 -20.5133 -18.0061 -18.0061 -17.9173 -17.9173 10.4648 10.4648 12.8657 12.8657 14.7166 14.7166 15.9844 15.9844 18.2599 18.2599 18.8314 18.8314 30.2273 30.2273 k = 0.0811 0.1404-0.0000 ( 798 PWs) bands (ev): -45.0733 -45.0733 -20.5074 -20.5074 -17.9971 -17.9971 -17.9121 -17.9121 10.3975 10.3975 12.8351 12.8351 14.7663 14.7663 15.9153 15.9153 18.3189 18.3189 18.8460 18.8460 30.1600 30.1600 k = 0.0766 0.1326-0.0000 ( 798 PWs) bands (ev): -45.0757 -45.0757 -20.5018 -20.5018 -17.9892 -17.9892 -17.9066 -17.9066 10.3329 10.3329 12.8059 12.8059 14.8149 14.8149 15.8502 15.8502 18.3766 18.3766 18.8599 18.8599 30.0847 30.0847 k = 0.0721 0.1248-0.0000 ( 798 PWs) bands (ev): -45.0779 -45.0779 -20.4966 -20.4966 -17.9823 -17.9823 -17.9006 -17.9006 10.2712 10.2712 12.7780 12.7780 14.8622 14.8622 15.7892 15.7892 18.4327 18.4327 18.8732 18.8732 30.0039 30.0039 k = 0.0676 0.1170-0.0000 ( 798 PWs) bands (ev): -45.0801 -45.0801 -20.4916 -20.4916 -17.9762 -17.9762 -17.8943 -17.8943 10.2126 10.2126 12.7515 12.7515 14.9077 14.9077 15.7322 15.7322 18.4870 18.4870 18.8858 18.8858 29.9199 29.9199 k = 0.0631 0.1092-0.0000 ( 798 PWs) bands (ev): -45.0821 -45.0821 -20.4869 -20.4869 -17.9710 -17.9710 -17.8878 -17.8878 10.1571 10.1571 12.7265 12.7265 14.9514 14.9514 15.6794 15.6794 18.5391 18.5391 18.8979 18.8979 29.8347 29.8347 k = 0.0586 0.1014-0.0000 ( 794 PWs) bands (ev): -45.0839 -45.0839 -20.4824 -20.4824 -17.9665 -17.9665 -17.8811 -17.8811 10.1050 10.1050 12.7030 12.7030 14.9929 14.9929 15.6307 15.6307 18.5888 18.5888 18.9095 18.9095 29.7498 29.7498 k = 0.0541 0.0936-0.0000 ( 790 PWs) bands (ev): -45.0855 -45.0855 -20.4783 -20.4783 -17.9627 -17.9627 -17.8743 -17.8743 10.0562 10.0562 12.6810 12.6810 15.0318 15.0318 15.5863 15.5863 18.6357 18.6357 18.9206 18.9206 29.6665 29.6665 k = 0.0495 0.0858-0.0000 ( 790 PWs) bands (ev): -45.0872 -45.0872 -20.4745 -20.4745 -17.9595 -17.9595 -17.8678 -17.8678 10.0109 10.0109 12.6607 12.6607 15.0679 15.0679 15.5461 15.5461 18.6794 18.6794 18.9314 18.9314 29.5856 29.5856 k = 0.0450 0.0780-0.0000 ( 790 PWs) bands (ev): -45.0887 -45.0887 -20.4710 -20.4710 -17.9569 -17.9569 -17.8615 -17.8615 9.9692 9.9692 12.6420 12.6420 15.1008 15.1008 15.5105 15.5105 18.7197 18.7197 18.9420 18.9420 29.5069 29.5069 k = 0.0405 0.0702-0.0000 ( 791 PWs) bands (ev): -45.0901 -45.0901 -20.4679 -20.4679 -17.9546 -17.9546 -17.8555 -17.8555 9.9312 9.9312 12.6249 12.6249 15.1300 15.1300 15.4795 15.4795 18.7560 18.7560 18.9524 18.9524 29.4314 29.4314 k = 0.0360 0.0624-0.0000 ( 791 PWs) bands (ev): -45.0914 -45.0914 -20.4651 -20.4651 -17.9527 -17.9527 -17.8500 -17.8500 9.8969 9.8969 12.6096 12.6096 15.1551 15.1551 15.4535 15.4535 18.7882 18.7882 18.9629 18.9629 29.3620 29.3620 k = 0.0315 0.0546-0.0000 ( 789 PWs) bands (ev): -45.0924 -45.0924 -20.4625 -20.4625 -17.9511 -17.9511 -17.8449 -17.8449 9.8665 9.8665 12.5960 12.5960 15.1758 15.1758 15.4326 15.4326 18.8159 18.8159 18.9733 18.9733 29.2999 29.2999 k = 0.0270 0.0468-0.0000 ( 789 PWs) bands (ev): -45.0934 -45.0934 -20.4604 -20.4604 -17.9497 -17.9497 -17.8405 -17.8405 9.8401 9.8401 12.5842 12.5842 15.1916 15.1916 15.4169 15.4169 18.8390 18.8390 18.9838 18.9838 29.2455 29.2455 k = 0.0225 0.0390-0.0000 ( 789 PWs) bands (ev): -45.0942 -45.0942 -20.4585 -20.4585 -17.9486 -17.9486 -17.8366 -17.8366 9.8176 9.8176 12.5741 12.5741 15.2026 15.2026 15.4062 15.4062 18.8575 18.8575 18.9940 18.9940 29.1990 29.1990 k = 0.0180 0.0312-0.0000 ( 781 PWs) bands (ev): -45.0946 -45.0946 -20.4569 -20.4569 -17.9477 -17.9477 -17.8333 -17.8333 9.7991 9.7991 12.5659 12.5659 15.2094 15.2094 15.4000 15.4000 18.8718 18.8718 19.0034 19.0034 29.1608 29.1608 k = 0.0135 0.0234-0.0000 ( 775 PWs) bands (ev): -45.0949 -45.0949 -20.4556 -20.4556 -17.9470 -17.9470 -17.8307 -17.8307 9.7847 9.7847 12.5595 12.5595 15.2130 15.2130 15.3970 15.3970 18.8823 18.8823 19.0115 19.0115 29.1309 29.1309 k = 0.0090 0.0156-0.0000 ( 773 PWs) bands (ev): -45.0952 -45.0952 -20.4547 -20.4547 -17.9465 -17.9465 -17.8288 -17.8288 9.7743 9.7743 12.5549 12.5549 15.2144 15.2144 15.3959 15.3959 18.8894 18.8894 19.0178 19.0178 29.1094 29.1094 k = 0.0045 0.0078-0.0000 ( 773 PWs) bands (ev): -45.0954 -45.0954 -20.4542 -20.4542 -17.9462 -17.9462 -17.8277 -17.8277 9.7681 9.7681 12.5521 12.5521 15.2149 15.2149 15.3958 15.3958 18.8935 18.8935 19.0217 19.0217 29.0965 29.0965 k = 0.0000 0.0000 0.0000 ( 779 PWs) bands (ev): -45.0957 -45.0957 -20.4541 -20.4541 -17.9462 -17.9462 -17.8275 -17.8275 9.7661 9.7661 12.5512 12.5512 15.2149 15.2149 15.3958 15.3958 18.8948 18.8948 19.0231 19.0231 29.0922 29.0922 k = 0.0000 0.0000 0.0000 ( 779 PWs) bands (ev): -45.0957 -45.0957 -20.4541 -20.4541 -17.9462 -17.9462 -17.8275 -17.8275 9.7661 9.7661 12.5512 12.5512 15.2149 15.2149 15.3958 15.3958 18.8948 18.8948 19.0231 19.0231 29.0922 29.0922 k = 0.0000 0.0000 0.0090 ( 773 PWs) bands (ev): -45.0954 -45.0954 -20.4542 -20.4542 -17.9465 -17.9465 -17.8273 -17.8273 9.7679 9.7679 12.5529 12.5529 15.2153 15.2153 15.3962 15.3962 18.8930 18.8930 19.0212 19.0212 29.0819 29.0819 k = 0.0000 0.0000 0.0179 ( 773 PWs) bands (ev): -45.0952 -45.0952 -20.4547 -20.4547 -17.9477 -17.9477 -17.8272 -17.8272 9.7735 9.7735 12.5581 12.5581 15.2163 15.2163 15.3972 15.3972 18.8874 18.8874 19.0156 19.0156 29.0512 29.0512 k = 0.0000 0.0000 0.0269 ( 773 PWs) bands (ev): -45.0949 -45.0949 -20.4555 -20.4555 -17.9496 -17.9496 -17.8269 -17.8269 9.7829 9.7829 12.5668 12.5668 15.2180 15.2180 15.3989 15.3989 18.8782 18.8782 19.0063 19.0063 29.0007 29.0007 k = 0.0000 0.0000 0.0358 ( 773 PWs) bands (ev): -45.0945 -45.0945 -20.4567 -20.4567 -17.9523 -17.9523 -17.8266 -17.8266 9.7959 9.7959 12.5789 12.5789 15.2203 15.2203 15.4013 15.4013 18.8654 18.8654 18.9933 18.9933 28.9316 28.9316 k = 0.0000 0.0000 0.0448 ( 774 PWs) bands (ev): -45.0940 -45.0940 -20.4582 -20.4582 -17.9558 -17.9558 -17.8261 -17.8261 9.8125 9.8125 12.5945 12.5945 15.2233 15.2233 15.4044 15.4044 18.8490 18.8490 18.9768 18.9768 28.8452 28.8452 k = 0.0000 0.0000 0.0537 ( 786 PWs) bands (ev): -45.0938 -45.0938 -20.4602 -20.4602 -17.9601 -17.9601 -17.8257 -17.8257 9.8327 9.8327 12.6136 12.6136 15.2269 15.2269 15.4081 15.4081 18.8291 18.8291 18.9568 18.9568 28.7429 28.7429 k = 0.0000 0.0000 0.0627 ( 786 PWs) bands (ev): -45.0930 -45.0930 -20.4623 -20.4623 -17.9650 -17.9650 -17.8251 -17.8251 9.8564 9.8564 12.6362 12.6362 15.2312 15.2312 15.4125 15.4125 18.8059 18.8059 18.9333 18.9333 28.6265 28.6265 k = 0.0000 0.0000 0.0716 ( 786 PWs) bands (ev): -45.0921 -45.0921 -20.4647 -20.4647 -17.9706 -17.9706 -17.8244 -17.8244 9.8836 9.8836 12.6622 12.6622 15.2361 15.2361 15.4176 15.4176 18.7795 18.7795 18.9067 18.9067 28.4977 28.4977 k = 0.0000 0.0000 0.0806 ( 786 PWs) bands (ev): -45.0910 -45.0910 -20.4675 -20.4675 -17.9769 -17.9769 -17.8236 -17.8236 9.9141 9.9141 12.6916 12.6916 15.2416 15.2416 15.4233 15.4233 18.7500 18.7500 18.8769 18.8769 28.3581 28.3581 k = 0.0000 0.0000 0.0895 ( 786 PWs) bands (ev): -45.0899 -45.0899 -20.4706 -20.4706 -17.9838 -17.9838 -17.8226 -17.8226 9.9478 9.9478 12.7245 12.7245 15.2478 15.2478 15.4296 15.4296 18.7175 18.7175 18.8441 18.8441 28.2093 28.2093 k = 0.0000 0.0000 0.0985 ( 792 PWs) bands (ev): -45.0889 -45.0889 -20.4741 -20.4741 -17.9915 -17.9915 -17.8217 -17.8217 9.9847 9.9847 12.7608 12.7608 15.2545 15.2545 15.4365 15.4365 18.6823 18.6823 18.8085 18.8085 28.0527 28.0527 k = 0.0000 0.0000 0.1075 ( 792 PWs) bands (ev): -45.0875 -45.0875 -20.4778 -20.4778 -17.9995 -17.9995 -17.8206 -17.8206 10.0246 10.0246 12.8005 12.8005 15.2618 15.2618 15.4440 15.4440 18.6444 18.6444 18.7702 18.7702 27.8897 27.8897 k = 0.0000 0.0000 0.1164 ( 798 PWs) bands (ev): -45.0863 -45.0863 -20.4819 -20.4819 -18.0082 -18.0082 -17.8196 -17.8196 10.0673 10.0673 12.8435 12.8435 15.2696 15.2696 15.4520 15.4520 18.6041 18.6041 18.7295 18.7295 27.7214 27.7214 k = 0.0000 0.0000 0.1254 ( 804 PWs) bands (ev): -45.0850 -45.0850 -20.4863 -20.4863 -18.0175 -18.0175 -17.8184 -17.8184 10.1128 10.1128 12.8900 12.8900 15.2780 15.2780 15.4606 15.4606 18.5616 18.5616 18.6866 18.6866 27.5491 27.5491 k = 0.0000 0.0000 0.1343 ( 804 PWs) bands (ev): -45.0834 -45.0834 -20.4909 -20.4909 -18.0271 -18.0271 -17.8171 -17.8171 10.1609 10.1609 12.9397 12.9397 15.2868 15.2868 15.4698 15.4698 18.5169 18.5169 18.6415 18.6415 27.3736 27.3736 k = 0.0000 0.0000 0.1433 ( 804 PWs) bands (ev): -45.0817 -45.0817 -20.4958 -20.4958 -18.0371 -18.0371 -17.8157 -17.8157 10.2114 10.2114 12.9927 12.9927 15.2962 15.2962 15.4794 15.4794 18.4705 18.4705 18.5946 18.5946 27.1959 27.1959 k = 0.0000 0.0000 0.1522 ( 810 PWs) bands (ev): -45.0801 -45.0801 -20.5010 -20.5010 -18.0477 -18.0477 -17.8143 -17.8143 10.2642 10.2642 13.0488 13.0488 15.3060 15.3060 15.4895 15.4895 18.4223 18.4223 18.5460 18.5460 27.0168 27.0168 k = 0.0000 0.0000 0.1612 ( 810 PWs) bands (ev): -45.0782 -45.0782 -20.5064 -20.5064 -18.0584 -18.0584 -17.8128 -17.8128 10.3191 10.3191 13.1081 13.1081 15.3163 15.3163 15.5001 15.5001 18.3727 18.3727 18.4959 18.4959 26.8369 26.8369 k = 0.0000 0.0000 0.1701 ( 798 PWs) bands (ev): -45.0758 -45.0758 -20.5119 -20.5119 -18.0692 -18.0692 -17.8112 -17.8112 10.3760 10.3760 13.1705 13.1705 15.3269 15.3269 15.5110 15.5110 18.3218 18.3218 18.4445 18.4445 26.6570 26.6570 k = 0.0000 0.0000 0.1791 ( 798 PWs) bands (ev): -45.0738 -45.0738 -20.5178 -20.5178 -18.0805 -18.0805 -17.8095 -17.8095 10.4347 10.4347 13.2358 13.2358 15.3380 15.3380 15.5224 15.5224 18.2698 18.2698 18.3920 18.3920 26.4775 26.4775 k = 0.0000 0.0000 0.1881 ( 798 PWs) bands (ev): -45.0717 -45.0717 -20.5240 -20.5240 -18.0920 -18.0920 -17.8079 -17.8079 10.4949 10.4949 13.3039 13.3039 15.3493 15.3493 15.5341 15.5341 18.2169 18.2169 18.3386 18.3386 26.2990 26.2990 k = 0.0000 0.0000 0.1970 ( 798 PWs) bands (ev): -45.0696 -45.0696 -20.5303 -20.5303 -18.1037 -18.1037 -17.8062 -17.8062 10.5567 10.5567 13.3747 13.3747 15.3610 15.3610 15.5462 15.5462 18.1634 18.1634 18.2845 18.2845 26.1221 26.1221 k = 0.0000 0.0000 0.2060 ( 798 PWs) bands (ev): -45.0674 -45.0674 -20.5369 -20.5369 -18.1155 -18.1155 -17.8045 -17.8045 10.6197 10.6197 13.4481 13.4481 15.3730 15.3730 15.5585 15.5585 18.1093 18.1093 18.2299 18.2299 25.9470 25.9470 k = 0.0000 0.0000 0.2149 ( 798 PWs) bands (ev): -45.0652 -45.0652 -20.5437 -20.5437 -18.1274 -18.1274 -17.8027 -17.8027 10.6838 10.6838 13.5239 13.5239 15.3852 15.3852 15.5711 15.5711 18.0549 18.0549 18.1749 18.1749 25.7743 25.7743 k = 0.0000 0.0000 0.2239 ( 798 PWs) bands (ev): -45.0630 -45.0630 -20.5506 -20.5506 -18.1393 -18.1393 -17.8009 -17.8009 10.7488 10.7488 13.6018 13.6018 15.3976 15.3976 15.5839 15.5839 18.0003 18.0003 18.1198 18.1198 25.6043 25.6043 k = 0.0000 0.0000 0.2328 ( 798 PWs) bands (ev): -45.0607 -45.0607 -20.5577 -20.5577 -18.1513 -18.1513 -17.7991 -17.7991 10.8147 10.8147 13.6818 13.6818 15.4102 15.4102 15.5969 15.5969 17.9457 17.9457 18.0647 18.0647 25.4374 25.4374 k = 0.0000 0.0000 0.2418 ( 798 PWs) bands (ev): -45.0584 -45.0584 -20.5649 -20.5649 -18.1631 -18.1631 -17.7973 -17.7973 10.8811 10.8811 13.7635 13.7635 15.4230 15.4230 15.6101 15.6101 17.8913 17.8913 18.0098 18.0098 25.2738 25.2738 k = 0.0000 0.0000 0.2507 ( 798 PWs) bands (ev): -45.0562 -45.0562 -20.5722 -20.5722 -18.1749 -18.1749 -17.7955 -17.7955 10.9479 10.9479 13.8467 13.8467 15.4358 15.4358 15.6233 15.6233 17.8373 17.8373 17.9553 17.9553 25.1140 25.1140 k = 0.0000 0.0000 0.2597 ( 798 PWs) bands (ev): -45.0539 -45.0539 -20.5796 -20.5796 -18.1866 -18.1866 -17.7936 -17.7936 11.0150 11.0150 13.9312 13.9312 15.4487 15.4487 15.6367 15.6367 17.7837 17.7837 17.9012 17.9012 24.9582 24.9582 k = 0.0000 0.0000 0.2686 ( 798 PWs) bands (ev): -45.0516 -45.0516 -20.5871 -20.5871 -18.1982 -18.1982 -17.7918 -17.7918 11.0822 11.0822 14.0167 14.0167 15.4616 15.4616 15.6500 15.6500 17.7308 17.7308 17.8478 17.8478 24.8067 24.8067 k = 0.0000 0.0000 0.2776 ( 798 PWs) bands (ev): -45.0493 -45.0493 -20.5947 -20.5947 -18.2095 -18.2095 -17.7900 -17.7900 11.1494 11.1494 14.1028 14.1028 15.4745 15.4745 15.6634 15.6634 17.6787 17.6787 17.7952 17.7952 24.6598 24.6598 k = 0.0000 0.0000 0.2866 ( 798 PWs) bands (ev): -45.0470 -45.0470 -20.6022 -20.6022 -18.2207 -18.2207 -17.7882 -17.7882 11.2163 11.2163 14.1892 14.1892 15.4874 15.4874 15.6767 15.6767 17.6274 17.6274 17.7435 17.7435 24.5178 24.5178 k = 0.0000 0.0000 0.2955 ( 798 PWs) bands (ev): -45.0448 -45.0448 -20.6098 -20.6098 -18.2316 -18.2316 -17.7864 -17.7864 11.2829 11.2829 14.2756 14.2756 15.5001 15.5001 15.6899 15.6899 17.5772 17.5772 17.6929 17.6929 24.3808 24.3808 k = 0.0000 0.0000 0.3045 ( 798 PWs) bands (ev): -45.0425 -45.0425 -20.6173 -20.6173 -18.2422 -18.2422 -17.7846 -17.7846 11.3489 11.3489 14.3617 14.3617 15.5127 15.5127 15.7029 15.7029 17.5282 17.5282 17.6434 17.6434 24.2492 24.2492 k = 0.0000 0.0000 0.3134 ( 798 PWs) bands (ev): -45.0404 -45.0404 -20.6248 -20.6248 -18.2525 -18.2525 -17.7829 -17.7829 11.4141 11.4141 14.4471 14.4471 15.5252 15.5252 15.7158 15.7158 17.4805 17.4805 17.5953 17.5953 24.1231 24.1231 k = 0.0000 0.0000 0.3224 ( 798 PWs) bands (ev): -45.0382 -45.0382 -20.6321 -20.6321 -18.2625 -18.2625 -17.7812 -17.7812 11.4785 11.4785 14.5313 14.5313 15.5374 15.5374 15.7285 15.7285 17.4341 17.4341 17.5485 17.5485 24.0027 24.0027 k = 0.0000 0.0000 0.3313 ( 798 PWs) bands (ev): -45.0361 -45.0361 -20.6394 -20.6394 -18.2722 -18.2722 -17.7795 -17.7795 11.5417 11.5417 14.6141 14.6141 15.5493 15.5493 15.7409 15.7409 17.3892 17.3892 17.5033 17.5033 23.8882 23.8882 k = 0.0000 0.0000 0.3403 ( 798 PWs) bands (ev): -45.0341 -45.0341 -20.6465 -20.6465 -18.2815 -18.2815 -17.7779 -17.7779 11.6038 11.6038 14.6951 14.6951 15.5610 15.5610 15.7530 15.7530 17.3459 17.3459 17.4597 17.4597 23.7799 23.7799 k = 0.0000 0.0000 0.3492 ( 798 PWs) bands (ev): -45.0321 -45.0321 -20.6535 -20.6535 -18.2904 -18.2904 -17.7763 -17.7763 11.6643 11.6643 14.7739 14.7739 15.5723 15.5723 15.7648 15.7648 17.3043 17.3043 17.4178 17.4178 23.6777 23.6777 k = 0.0000 0.0000 0.3582 ( 786 PWs) bands (ev): -45.0297 -45.0297 -20.6601 -20.6601 -18.2987 -18.2987 -17.7747 -17.7747 11.7233 11.7233 14.8501 14.8501 15.5833 15.5833 15.7762 15.7762 17.2645 17.2645 17.3777 17.3777 23.5819 23.5819 k = 0.0000 0.0000 0.3672 ( 774 PWs) bands (ev): -45.0274 -45.0274 -20.6664 -20.6664 -18.3066 -18.3066 -17.7731 -17.7731 11.7804 11.7804 14.9234 14.9234 15.5938 15.5938 15.7871 15.7871 17.2265 17.2265 17.3395 17.3395 23.4924 23.4924 k = 0.0000 0.0000 0.3761 ( 780 PWs) bands (ev): -45.0259 -45.0259 -20.6729 -20.6729 -18.3144 -18.3144 -17.7717 -17.7717 11.8355 11.8355 14.9935 14.9935 15.6039 15.6039 15.7977 15.7977 17.1904 17.1904 17.3032 17.3032 23.4093 23.4093 k = 0.0000 0.0000 0.3851 ( 780 PWs) bands (ev): -45.0243 -45.0243 -20.6789 -20.6789 -18.3216 -18.3216 -17.7704 -17.7704 11.8884 11.8884 15.0600 15.0600 15.6135 15.6135 15.8077 15.8077 17.1563 17.1563 17.2690 17.2690 23.3327 23.3327 k = 0.0000 0.0000 0.3940 ( 780 PWs) bands (ev): -45.0227 -45.0227 -20.6847 -20.6847 -18.3283 -18.3283 -17.7691 -17.7691 11.9389 11.9389 15.1228 15.1228 15.6226 15.6226 15.8172 15.8172 17.1243 17.1243 17.2368 17.2368 23.2624 23.2624 k = 0.0000 0.0000 0.4030 ( 780 PWs) bands (ev): -45.0212 -45.0212 -20.6901 -20.6901 -18.3346 -18.3346 -17.7680 -17.7680 11.9867 11.9867 15.1815 15.1815 15.6312 15.6312 15.8261 15.8261 17.0944 17.0944 17.2068 17.2068 23.1985 23.1985 k = 0.0000 0.0000 0.4119 ( 780 PWs) bands (ev): -45.0199 -45.0199 -20.6952 -20.6952 -18.3404 -18.3404 -17.7669 -17.7669 12.0317 12.0317 15.2360 15.2360 15.6392 15.6392 15.8345 15.8345 17.0667 17.0667 17.1790 17.1790 23.1408 23.1408 k = 0.0000 0.0000 0.4209 ( 780 PWs) bands (ev): -45.0186 -45.0186 -20.6999 -20.6999 -18.3458 -18.3458 -17.7659 -17.7659 12.0737 12.0737 15.2860 15.2860 15.6466 15.6466 15.8422 15.8422 17.0412 17.0412 17.1535 17.1535 23.0891 23.0891 k = 0.0000 0.0000 0.4298 ( 780 PWs) bands (ev): -45.0174 -45.0174 -20.7042 -20.7042 -18.3506 -18.3506 -17.7649 -17.7649 12.1124 12.1124 15.3315 15.3315 15.6533 15.6533 15.8493 15.8493 17.0179 17.0179 17.1303 17.1303 23.0433 23.0433 k = 0.0000 0.0000 0.4388 ( 780 PWs) bands (ev): -45.0164 -45.0164 -20.7082 -20.7082 -18.3549 -18.3549 -17.7641 -17.7641 12.1476 12.1476 15.3724 15.3724 15.6594 15.6594 15.8557 15.8557 16.9970 16.9970 17.1094 17.1094 23.0032 23.0032 k = 0.0000 0.0000 0.4477 ( 780 PWs) bands (ev): -45.0155 -45.0155 -20.7117 -20.7117 -18.3588 -18.3588 -17.7634 -17.7634 12.1792 12.1792 15.4085 15.4085 15.6649 15.6649 15.8614 15.8614 16.9785 16.9785 17.0909 17.0909 22.9685 22.9685 k = 0.0000 0.0000 0.4567 ( 780 PWs) bands (ev): -45.0146 -45.0146 -20.7148 -20.7148 -18.3621 -18.3621 -17.7627 -17.7627 12.2070 12.2070 15.4398 15.4398 15.6697 15.6697 15.8664 15.8664 16.9623 16.9623 17.0747 17.0747 22.9390 22.9390 k = 0.0000 0.0000 0.4657 ( 780 PWs) bands (ev): -45.0140 -45.0140 -20.7174 -20.7174 -18.3649 -18.3649 -17.7622 -17.7622 12.2308 12.2308 15.4663 15.4663 15.6737 15.6737 15.8707 15.8707 16.9486 16.9486 17.0611 17.0611 22.9145 22.9145 k = 0.0000 0.0000 0.4746 ( 780 PWs) bands (ev): -45.0134 -45.0134 -20.7195 -20.7195 -18.3672 -18.3672 -17.7617 -17.7617 12.2504 12.2504 15.4880 15.4880 15.6770 15.6770 15.8742 15.8742 16.9374 16.9374 17.0498 17.0498 22.8949 22.8949 k = 0.0000 0.0000 0.4836 ( 780 PWs) bands (ev): -45.0129 -45.0129 -20.7212 -20.7212 -18.3690 -18.3690 -17.7614 -17.7614 12.2659 12.2659 15.5048 15.5048 15.6796 15.6796 15.8769 15.8769 16.9286 16.9286 17.0411 17.0411 22.8798 22.8798 k = 0.0000 0.0000 0.4925 ( 780 PWs) bands (ev): -45.0126 -45.0126 -20.7224 -20.7224 -18.3703 -18.3703 -17.7611 -17.7611 12.2770 12.2770 15.5168 15.5168 15.6815 15.6815 15.8789 15.8789 16.9223 16.9223 17.0348 17.0348 22.8691 22.8691 k = 0.0000 0.0000 0.5015 ( 786 PWs) bands (ev): -45.0127 -45.0127 -20.7233 -20.7233 -18.3712 -18.3712 -17.7610 -17.7610 12.2837 12.2837 15.5241 15.5241 15.6826 15.6826 15.8801 15.8801 16.9185 16.9185 17.0311 17.0311 22.8628 22.8628 k = 0.0000 0.0000 0.5104 ( 780 PWs) bands (ev): -45.0124 -45.0124 -20.7235 -20.7235 -18.3714 -18.3714 -17.7609 -17.7609 12.2859 12.2859 15.5265 15.5265 15.6830 15.6830 15.8804 15.8804 16.9172 16.9172 17.0298 17.0298 22.8607 22.8607 k = 0.0000 0.0000 0.5104 ( 780 PWs) bands (ev): -45.0124 -45.0124 -20.7235 -20.7235 -18.3714 -18.3714 -17.7609 -17.7609 12.2859 12.2859 15.5265 15.5265 15.6830 15.6830 15.8804 15.8804 16.9172 16.9172 17.0298 17.0298 22.8607 22.8607 k = 0.0078 0.0045 0.5104 ( 784 PWs) bands (ev): -45.0124 -45.0124 -20.7236 -20.7236 -18.3716 -18.3716 -17.7613 -17.7613 12.2883 12.2883 15.5174 15.5174 15.6833 15.6833 15.8806 15.8806 16.9217 16.9217 17.0343 17.0343 22.8608 22.8608 k = 0.0156 0.0090 0.5104 ( 784 PWs) bands (ev): -45.0122 -45.0122 -20.7239 -20.7239 -18.3720 -18.3720 -17.7623 -17.7623 12.2954 12.2954 15.4910 15.4910 15.6838 15.6838 15.8812 15.8812 16.9320 16.9320 17.0501 17.0501 22.8611 22.8611 k = 0.0234 0.0135 0.5104 ( 784 PWs) bands (ev): -45.0119 -45.0119 -20.7243 -20.7243 -18.3726 -18.3726 -17.7640 -17.7640 12.3073 12.3073 15.4493 15.4493 15.6839 15.6839 15.8828 15.8828 16.9414 16.9414 17.0821 17.0821 22.8615 22.8615 k = 0.0312 0.0180 0.5104 ( 784 PWs) bands (ev): -45.0113 -45.0113 -20.7249 -20.7249 -18.3735 -18.3735 -17.7665 -17.7665 12.3238 12.3238 15.3948 15.3948 15.6829 15.6829 15.8861 15.8861 16.9458 16.9458 17.1319 17.1319 22.8622 22.8622 k = 0.0391 0.0226 0.5104 ( 782 PWs) bands (ev): -45.0106 -45.0106 -20.7257 -20.7257 -18.3746 -18.3746 -17.7696 -17.7696 12.3450 12.3450 15.3301 15.3301 15.6797 15.6797 15.8922 15.8922 16.9453 16.9453 17.1970 17.1970 22.8630 22.8630 k = 0.0469 0.0271 0.5104 ( 786 PWs) bands (ev): -45.0099 -45.0099 -20.7267 -20.7267 -18.3760 -18.3760 -17.7734 -17.7734 12.3708 12.3708 15.2575 15.2575 15.6736 15.6736 15.9020 15.9020 16.9413 16.9413 17.2735 17.2735 22.8640 22.8640 k = 0.0547 0.0316 0.5104 ( 790 PWs) bands (ev): -45.0091 -45.0091 -20.7279 -20.7279 -18.3777 -18.3777 -17.7779 -17.7779 12.4011 12.4011 15.1790 15.1790 15.6639 15.6639 15.9162 15.9162 16.9348 16.9348 17.3586 17.3586 22.8652 22.8652 k = 0.0625 0.0361 0.5104 ( 790 PWs) bands (ev): -45.0081 -45.0081 -20.7293 -20.7293 -18.3796 -18.3796 -17.7830 -17.7830 12.4357 12.4357 15.0960 15.0960 15.6507 15.6507 15.9352 15.9352 16.9263 16.9263 17.4502 17.4502 22.8665 22.8665 k = 0.0703 0.0406 0.5104 ( 786 PWs) bands (ev): -45.0067 -45.0067 -20.7307 -20.7307 -18.3817 -18.3817 -17.7885 -17.7885 12.4747 12.4747 15.0098 15.0098 15.6339 15.6339 15.9590 15.9590 16.9161 16.9161 17.5468 17.5468 22.8679 22.8679 k = 0.0781 0.0451 0.5104 ( 782 PWs) bands (ev): -45.0052 -45.0052 -20.7323 -20.7323 -18.3840 -18.3840 -17.7948 -17.7948 12.5178 12.5178 14.9214 14.9214 15.6141 15.6141 15.9873 15.9873 16.9046 16.9046 17.6472 17.6472 22.8695 22.8695 k = 0.0859 0.0496 0.5104 ( 782 PWs) bands (ev): -45.0037 -45.0037 -20.7342 -20.7342 -18.3866 -18.3866 -17.8015 -17.8015 12.5648 12.5648 14.8313 14.8313 15.5916 15.5916 16.0201 16.0201 16.8917 16.8917 17.7505 17.7505 22.8712 22.8712 k = 0.0938 0.0541 0.5104 ( 782 PWs) bands (ev): -45.0021 -45.0021 -20.7363 -20.7363 -18.3895 -18.3895 -17.8089 -17.8089 12.6156 12.6156 14.7403 14.7403 15.5670 15.5670 16.0570 16.0570 16.8776 16.8776 17.8562 17.8562 22.8730 22.8730 k = 0.1016 0.0586 0.5104 ( 786 PWs) bands (ev): -45.0005 -45.0005 -20.7386 -20.7386 -18.3927 -18.3927 -17.8167 -17.8167 12.6699 12.6699 14.6487 14.6487 15.5409 15.5409 16.0977 16.0977 16.8624 16.8624 17.9636 17.9636 22.8749 22.8749 k = 0.1094 0.0631 0.5104 ( 788 PWs) bands (ev): -44.9987 -44.9987 -20.7410 -20.7410 -18.3961 -18.3961 -17.8250 -17.8250 12.7274 12.7274 14.5569 14.5569 15.5138 15.5138 16.1423 16.1423 16.8462 16.8462 18.0725 18.0725 22.8768 22.8768 k = 0.1172 0.0677 0.5104 ( 792 PWs) bands (ev): -44.9969 -44.9969 -20.7436 -20.7436 -18.3997 -18.3997 -17.8338 -17.8338 12.7879 12.7879 14.4652 14.4652 15.4862 15.4862 16.1903 16.1903 16.8290 16.8290 18.1823 18.1823 22.8787 22.8787 k = 0.1250 0.0722 0.5104 ( 792 PWs) bands (ev): -44.9948 -44.9948 -20.7464 -20.7464 -18.4035 -18.4035 -17.8429 -17.8429 12.8508 12.8508 14.3739 14.3739 15.4588 15.4588 16.2417 16.2417 16.8111 16.8111 18.2928 18.2928 22.8806 22.8806 k = 0.1328 0.0767 0.5104 ( 792 PWs) bands (ev): -44.9926 -44.9926 -20.7493 -20.7493 -18.4076 -18.4076 -17.8523 -17.8523 12.9157 12.9157 14.2831 14.2831 15.4321 15.4321 16.2964 16.2964 16.7924 16.7924 18.4037 18.4037 22.8825 22.8825 k = 0.1406 0.0812 0.5104 ( 792 PWs) bands (ev): -44.9903 -44.9903 -20.7524 -20.7524 -18.4119 -18.4119 -17.8621 -17.8621 12.9821 12.9821 14.1930 14.1930 15.4070 15.4070 16.3540 16.3540 16.7732 16.7732 18.5148 18.5148 22.8844 22.8844 k = 0.1484 0.0857 0.5104 ( 792 PWs) bands (ev): -44.9879 -44.9879 -20.7557 -20.7557 -18.4164 -18.4164 -17.8722 -17.8722 13.0493 13.0493 14.1037 14.1037 15.3843 15.3843 16.4143 16.4143 16.7537 16.7537 18.6259 18.6259 22.8861 22.8861 k = 0.1562 0.0902 0.5104 ( 796 PWs) bands (ev): -44.9856 -44.9856 -20.7592 -20.7592 -18.4212 -18.4212 -17.8825 -17.8825 13.1166 13.1166 14.0155 14.0155 15.3647 15.3647 16.4768 16.4768 16.7345 16.7345 18.7368 18.7368 22.8877 22.8877 k = 0.1641 0.0947 0.5104 ( 796 PWs) bands (ev): -44.9830 -44.9830 -20.7628 -20.7628 -18.4262 -18.4262 -17.8930 -17.8930 13.1831 13.1831 13.9283 13.9283 15.3494 15.3494 16.5397 16.5397 16.7171 16.7171 18.8473 18.8473 22.8891 22.8891 k = 0.1719 0.0992 0.5104 ( 796 PWs) bands (ev): -44.9804 -44.9804 -20.7665 -20.7665 -18.4313 -18.4313 -17.9036 -17.9036 13.2477 13.2477 13.8423 13.8423 15.3394 15.3394 16.5971 16.5971 16.7075 16.7075 18.9572 18.9572 22.8903 22.8903 k = 0.1797 0.1037 0.5104 ( 796 PWs) bands (ev): -44.9776 -44.9776 -20.7704 -20.7704 -18.4367 -18.4367 -17.9144 -17.9144 13.3095 13.3095 13.7576 13.7576 15.3360 15.3360 16.6261 16.6261 16.7287 16.7287 19.0663 19.0663 22.8912 22.8912 k = 0.1875 0.1083 0.5104 ( 796 PWs) bands (ev): -44.9749 -44.9749 -20.7745 -20.7745 -18.4423 -18.4423 -17.9252 -17.9252 13.3670 13.3670 13.6743 13.6743 15.3403 15.3403 16.6196 16.6196 16.7876 16.7876 19.1746 19.1746 22.8918 22.8918 k = 0.1953 0.1128 0.5104 ( 796 PWs) bands (ev): -44.9720 -44.9720 -20.7787 -20.7787 -18.4480 -18.4480 -17.9361 -17.9361 13.4192 13.4192 13.5925 13.5925 15.3537 15.3537 16.6013 16.6013 16.8603 16.8603 19.2817 19.2817 22.8920 22.8920 k = 0.2031 0.1173 0.5104 ( 796 PWs) bands (ev): -44.9691 -44.9691 -20.7830 -20.7830 -18.4540 -18.4540 -17.9469 -17.9469 13.4636 13.4636 13.5135 13.5135 15.3774 15.3774 16.5798 16.5798 16.9386 16.9386 19.3877 19.3877 22.8917 22.8917 k = 0.2109 0.1218 0.5104 ( 792 PWs) bands (ev): -44.9660 -44.9660 -20.7874 -20.7874 -18.4601 -18.4601 -17.9577 -17.9577 13.4310 13.4310 13.5058 13.5058 15.4123 15.4123 16.5569 16.5569 17.0202 17.0202 19.4922 19.4922 22.8910 22.8910 k = 0.2188 0.1263 0.5104 ( 798 PWs) bands (ev): -44.9633 -44.9633 -20.7921 -20.7921 -18.4665 -18.4665 -17.9685 -17.9685 13.3544 13.3544 13.5357 13.5357 15.4592 15.4592 16.5333 16.5333 17.1045 17.1045 19.5953 19.5953 22.8896 22.8896 k = 0.2266 0.1308 0.5104 ( 802 PWs) bands (ev): -44.9604 -44.9604 -20.7968 -20.7968 -18.4729 -18.4729 -17.9792 -17.9792 13.2788 13.2788 13.5578 13.5578 15.5183 15.5183 16.5094 16.5094 17.1912 17.1912 19.6966 19.6966 22.8876 22.8876 k = 0.2344 0.1353 0.5104 ( 802 PWs) bands (ev): -44.9574 -44.9574 -20.8016 -20.8016 -18.4795 -18.4795 -17.9897 -17.9897 13.2048 13.2048 13.5719 13.5719 15.5897 15.5897 16.4852 16.4852 17.2799 17.2799 19.7961 19.7961 22.8848 22.8848 k = 0.2422 0.1398 0.5104 ( 802 PWs) bands (ev): -44.9543 -44.9543 -20.8065 -20.8065 -18.4863 -18.4863 -18.0001 -18.0001 13.1325 13.1325 13.5780 13.5780 15.6730 15.6730 16.4610 16.4610 17.3705 17.3705 19.8936 19.8936 22.8812 22.8812 k = 0.2500 0.1443 0.5104 ( 802 PWs) bands (ev): -44.9513 -44.9513 -20.8115 -20.8115 -18.4931 -18.4931 -18.0102 -18.0102 13.0619 13.0619 13.5770 13.5770 15.7675 15.7675 16.4368 16.4368 17.4628 17.4628 19.9890 19.9890 22.8767 22.8767 k = 0.2578 0.1488 0.5104 ( 804 PWs) bands (ev): -44.9483 -44.9483 -20.8166 -20.8166 -18.5001 -18.5001 -18.0202 -18.0202 12.9931 12.9931 13.5696 13.5696 15.8724 15.8724 16.4128 16.4128 17.5565 17.5565 20.0821 20.0821 22.8711 22.8711 k = 0.2656 0.1534 0.5104 ( 804 PWs) bands (ev): -44.9453 -44.9453 -20.8217 -20.8217 -18.5071 -18.5071 -18.0298 -18.0298 12.9261 12.9261 13.5567 13.5567 15.9866 15.9866 16.3890 16.3890 17.6516 17.6516 20.1728 20.1728 22.8644 22.8644 k = 0.2734 0.1579 0.5104 ( 802 PWs) bands (ev): -44.9421 -44.9421 -20.8268 -20.8268 -18.5141 -18.5141 -18.0392 -18.0392 12.8611 12.8611 13.5390 13.5390 16.1092 16.1092 16.3657 16.3657 17.7477 17.7477 20.2610 20.2610 22.8565 22.8565 k = 0.2812 0.1624 0.5104 ( 802 PWs) bands (ev): -44.9391 -44.9391 -20.8320 -20.8320 -18.5213 -18.5213 -18.0483 -18.0483 12.7979 12.7979 13.5176 13.5176 16.2380 16.2380 16.3442 16.3442 17.8447 17.8447 20.3464 20.3464 22.8472 22.8472 k = 0.2891 0.1669 0.5104 ( 802 PWs) bands (ev): -44.9361 -44.9361 -20.8372 -20.8372 -18.5284 -18.5284 -18.0571 -18.0571 12.7367 12.7367 13.4931 13.4931 16.3125 16.3125 16.3841 16.3841 17.9424 17.9424 20.4291 20.4291 22.8365 22.8365 k = 0.2969 0.1714 0.5104 ( 802 PWs) bands (ev): -44.9332 -44.9332 -20.8424 -20.8424 -18.5356 -18.5356 -18.0656 -18.0656 12.6774 12.6774 13.4662 13.4662 16.2934 16.2934 16.5241 16.5241 18.0405 18.0405 20.5089 20.5089 22.8241 22.8241 k = 0.3047 0.1759 0.5104 ( 798 PWs) bands (ev): -44.9301 -44.9301 -20.8476 -20.8476 -18.5427 -18.5427 -18.0737 -18.0737 12.6202 12.6202 13.4375 13.4375 16.2717 16.2717 16.6726 16.6726 18.1389 18.1389 20.5856 20.5856 22.8099 22.8099 k = 0.3125 0.1804 0.5104 ( 798 PWs) bands (ev): -44.9272 -44.9272 -20.8528 -20.8528 -18.5498 -18.5498 -18.0815 -18.0815 12.5649 12.5649 13.4076 13.4076 16.2501 16.2501 16.8261 16.8261 18.2372 18.2372 20.6592 20.6592 22.7938 22.7938 k = 0.3203 0.1849 0.5104 ( 802 PWs) bands (ev): -44.9245 -44.9245 -20.8580 -20.8580 -18.5569 -18.5569 -18.0890 -18.0890 12.5118 12.5118 13.3768 13.3768 16.2290 16.2290 16.9839 16.9839 18.3353 18.3353 20.7296 20.7296 22.7756 22.7756 k = 0.3281 0.1894 0.5104 ( 806 PWs) bands (ev): -44.9220 -44.9220 -20.8631 -20.8631 -18.5640 -18.5640 -18.0962 -18.0962 12.4607 12.4607 13.3456 13.3456 16.2084 16.2084 17.1454 17.1454 18.4328 18.4328 20.7967 20.7967 22.7552 22.7552 k = 0.3359 0.1940 0.5104 ( 806 PWs) bands (ev): -44.9193 -44.9193 -20.8681 -20.8681 -18.5708 -18.5708 -18.1030 -18.1030 12.4117 12.4117 13.3142 13.3142 16.1884 16.1884 17.3100 17.3100 18.5295 18.5295 20.8604 20.8604 22.7324 22.7324 k = 0.3438 0.1985 0.5104 ( 806 PWs) bands (ev): -44.9167 -44.9167 -20.8731 -20.8731 -18.5775 -18.5775 -18.1094 -18.1094 12.3648 12.3648 13.2831 13.2831 16.1690 16.1690 17.4771 17.4771 18.6250 18.6250 20.9208 20.9208 22.7070 22.7070 k = 0.3516 0.2030 0.5104 ( 802 PWs) bands (ev): -44.9140 -44.9140 -20.8778 -20.8778 -18.5840 -18.5840 -18.1155 -18.1155 12.3201 12.3201 13.2523 13.2523 16.1503 16.1503 17.6464 17.6464 18.7191 18.7191 20.9777 20.9777 22.6788 22.6788 k = 0.3594 0.2075 0.5104 ( 802 PWs) bands (ev): -44.9116 -44.9116 -20.8825 -20.8825 -18.5903 -18.5903 -18.1212 -18.1212 12.2776 12.2776 13.2222 13.2222 16.1324 16.1324 17.8173 17.8173 18.8115 18.8115 21.0311 21.0311 22.6477 22.6477 k = 0.3672 0.2120 0.5104 ( 802 PWs) bands (ev): -44.9092 -44.9092 -20.8870 -20.8870 -18.5965 -18.5965 -18.1266 -18.1266 12.2372 12.2372 13.1930 13.1930 16.1152 16.1152 17.9893 17.9893 18.9018 18.9018 21.0810 21.0810 22.6135 22.6135 k = 0.3750 0.2165 0.5104 ( 802 PWs) bands (ev): -44.9070 -44.9070 -20.8914 -20.8914 -18.6024 -18.6024 -18.1317 -18.1317 12.1991 12.1991 13.1647 13.1647 16.0989 16.0989 18.1618 18.1618 18.9897 18.9897 21.1274 21.1274 22.5760 22.5760 k = 0.3828 0.2210 0.5104 ( 802 PWs) bands (ev): -44.9049 -44.9049 -20.8956 -20.8956 -18.6081 -18.6081 -18.1364 -18.1364 12.1632 12.1632 13.1376 13.1376 16.0834 16.0834 18.3345 18.3345 19.0749 19.0749 21.1702 21.1702 22.5352 22.5352 k = 0.3906 0.2255 0.5104 ( 802 PWs) bands (ev): -44.9028 -44.9028 -20.8997 -20.8997 -18.6135 -18.6135 -18.1408 -18.1408 12.1295 12.1295 13.1117 13.1117 16.0687 16.0687 18.5066 18.5066 19.1570 19.1570 21.2095 21.2095 22.4909 22.4909 k = 0.3984 0.2300 0.5104 ( 802 PWs) bands (ev): -44.9009 -44.9009 -20.9035 -20.9035 -18.6187 -18.6187 -18.1448 -18.1448 12.0981 12.0981 13.0873 13.0873 16.0550 16.0550 18.6776 18.6776 19.2358 19.2358 21.2453 21.2453 22.4431 22.4431 k = 0.4062 0.2345 0.5104 ( 802 PWs) bands (ev): -44.8992 -44.8992 -20.9071 -20.9071 -18.6235 -18.6235 -18.1486 -18.1486 12.0689 12.0689 13.0643 13.0643 16.0422 16.0422 18.8467 18.8467 19.3110 19.3110 21.2774 21.2774 22.3918 22.3918 k = 0.4141 0.2391 0.5104 ( 802 PWs) bands (ev): -44.8975 -44.8975 -20.9105 -20.9105 -18.6280 -18.6280 -18.1520 -18.1520 12.0420 12.0420 13.0428 13.0428 16.0303 16.0303 19.0128 19.0128 19.3825 19.3825 21.3058 21.3058 22.3373 22.3373 k = 0.4219 0.2436 0.5104 ( 802 PWs) bands (ev): -44.8960 -44.8960 -20.9136 -20.9136 -18.6321 -18.6321 -18.1551 -18.1551 12.0175 12.0175 13.0230 13.0230 16.0193 16.0193 19.1747 19.1747 19.4505 19.4505 21.3306 21.3306 22.2798 22.2798 k = 0.4297 0.2481 0.5104 ( 802 PWs) bands (ev): -44.8946 -44.8946 -20.9164 -20.9164 -18.6359 -18.6359 -18.1578 -18.1578 11.9952 11.9952 13.0049 13.0049 16.0094 16.0094 19.3297 19.3297 19.5163 19.5163 21.3514 21.3514 22.2197 22.2197 k = 0.4375 0.2526 0.5104 ( 802 PWs) bands (ev): -44.8933 -44.8933 -20.9190 -20.9190 -18.6394 -18.6394 -18.1603 -18.1603 11.9753 11.9753 12.9886 12.9886 16.0005 16.0005 19.4697 19.4697 19.5866 19.5866 21.3680 21.3680 22.1580 22.1580 k = 0.4453 0.2571 0.5104 ( 802 PWs) bands (ev): -44.8922 -44.8922 -20.9214 -20.9214 -18.6424 -18.6424 -18.1625 -18.1625 11.9576 11.9576 12.9741 12.9741 15.9925 15.9925 19.5714 19.5714 19.6829 19.6829 21.3803 21.3803 22.0958 22.0958 k = 0.4531 0.2616 0.5104 ( 802 PWs) bands (ev): -44.8913 -44.8913 -20.9234 -20.9234 -18.6451 -18.6451 -18.1644 -18.1644 11.9423 11.9423 12.9614 12.9614 15.9856 15.9856 19.6321 19.6321 19.8059 19.8059 21.3877 21.3877 22.0347 22.0347 k = 0.4609 0.2661 0.5104 ( 804 PWs) bands (ev): -44.8905 -44.8905 -20.9251 -20.9251 -18.6474 -18.6474 -18.1660 -18.1660 11.9294 11.9294 12.9506 12.9506 15.9798 15.9798 19.6753 19.6753 19.9295 19.9295 21.3900 21.3900 21.9769 21.9769 k = 0.4688 0.2706 0.5104 ( 800 PWs) bands (ev): -44.8897 -44.8897 -20.9265 -20.9265 -18.6492 -18.6492 -18.1673 -18.1673 11.9188 11.9188 12.9418 12.9418 15.9750 15.9750 19.7088 19.7088 20.0427 20.0427 21.3871 21.3871 21.9250 21.9250 k = 0.4766 0.2751 0.5104 ( 800 PWs) bands (ev): -44.8891 -44.8891 -20.9276 -20.9276 -18.6507 -18.6507 -18.1682 -18.1682 11.9105 11.9105 12.9349 12.9349 15.9712 15.9712 19.7345 19.7345 20.1397 20.1397 21.3799 21.3799 21.8817 21.8817 k = 0.4844 0.2797 0.5104 ( 804 PWs) bands (ev): -44.8889 -44.8889 -20.9285 -20.9285 -18.6518 -18.6518 -18.1690 -18.1690 11.9046 11.9046 12.9299 12.9299 15.9685 15.9685 19.7527 19.7527 20.2150 20.2150 21.3705 21.3705 21.8494 21.8494 k = 0.4922 0.2842 0.5104 ( 804 PWs) bands (ev): -44.8887 -44.8887 -20.9290 -20.9290 -18.6524 -18.6524 -18.1694 -18.1694 11.9011 11.9011 12.9269 12.9269 15.9669 15.9669 19.7636 19.7636 20.2632 20.2632 21.3624 21.3624 21.8296 21.8296 k = 0.5000 0.2887 0.5104 ( 800 PWs) bands (ev): -44.8884 -44.8884 -20.9291 -20.9291 -18.6526 -18.6526 -18.1695 -18.1695 11.8999 11.8999 12.9259 12.9259 15.9664 15.9664 19.7673 19.7673 20.2799 20.2799 21.3591 21.3591 21.8230 21.8230 k = 0.5000 0.2887 0.5104 ( 800 PWs) bands (ev): -44.8884 -44.8884 -20.9291 -20.9291 -18.6526 -18.6526 -18.1695 -18.1695 11.8999 11.8999 12.9259 12.9259 15.9664 15.9664 19.7673 19.7673 20.2799 20.2799 21.3591 21.3591 21.8230 21.8230 k = 0.4955 0.2965 0.5104 ( 804 PWs) bands (ev): -44.8886 -44.8886 -20.9291 -20.9291 -18.6525 -18.6525 -18.1699 -18.1699 11.9009 11.9009 12.9287 12.9287 15.9617 15.9617 19.7518 19.7518 20.2791 20.2791 21.3683 21.3683 21.8372 21.8372 k = 0.4910 0.3043 0.5104 ( 804 PWs) bands (ev): -44.8885 -44.8885 -20.9291 -20.9291 -18.6521 -18.6521 -18.1709 -18.1709 11.9040 11.9040 12.9368 12.9368 15.9475 15.9475 19.7068 19.7068 20.2767 20.2767 21.3944 21.3944 21.8793 21.8793 k = 0.4865 0.3121 0.5104 ( 804 PWs) bands (ev): -44.8884 -44.8884 -20.9292 -20.9292 -18.6515 -18.6515 -18.1725 -18.1725 11.9091 11.9091 12.9504 12.9504 15.9242 15.9242 19.6364 19.6364 20.2730 20.2730 21.4347 21.4347 21.9479 21.9479 k = 0.4820 0.3199 0.5104 ( 800 PWs) bands (ev): -44.8880 -44.8880 -20.9292 -20.9292 -18.6505 -18.6505 -18.1747 -18.1747 11.9163 11.9163 12.9695 12.9695 15.8921 15.8921 19.5458 19.5458 20.2680 20.2680 21.4860 21.4860 22.0402 22.0402 k = 0.4775 0.3277 0.5104 ( 796 PWs) bands (ev): -44.8877 -44.8877 -20.9292 -20.9292 -18.6494 -18.6494 -18.1775 -18.1775 11.9255 11.9255 12.9939 12.9939 15.8516 15.8516 19.4400 19.4400 20.2619 20.2619 21.5465 21.5465 22.1528 22.1528 k = 0.4730 0.3355 0.5104 ( 800 PWs) bands (ev): -44.8876 -44.8876 -20.9294 -20.9294 -18.6480 -18.6480 -18.1811 -18.1811 11.9367 11.9367 13.0236 13.0236 15.8032 15.8032 19.3231 19.3231 20.2546 20.2546 21.6148 21.6148 22.2820 22.2820 k = 0.4685 0.3433 0.5104 ( 800 PWs) bands (ev): -44.8873 -44.8873 -20.9295 -20.9295 -18.6464 -18.6464 -18.1852 -18.1852 11.9499 11.9499 13.0585 13.0585 15.7477 15.7477 19.1984 19.1984 20.2461 20.2461 21.6905 21.6905 22.4245 22.4245 k = 0.4640 0.3511 0.5104 ( 802 PWs) bands (ev): -44.8870 -44.8870 -20.9296 -20.9296 -18.6445 -18.6445 -18.1899 -18.1899 11.9652 11.9652 13.0987 13.0987 15.6855 15.6855 19.0682 19.0682 20.2364 20.2364 21.7730 21.7730 22.5777 22.5777 k = 0.4595 0.3589 0.5104 ( 802 PWs) bands (ev): -44.8866 -44.8866 -20.9298 -20.9298 -18.6424 -18.6424 -18.1952 -18.1952 11.9825 11.9825 13.1439 13.1439 15.6174 15.6174 18.9344 18.9344 20.2256 20.2256 21.8620 21.8620 22.7395 22.7395 k = 0.4550 0.3667 0.5104 ( 802 PWs) bands (ev): -44.8861 -44.8861 -20.9300 -20.9300 -18.6400 -18.6400 -18.2009 -18.2009 12.0018 12.0018 13.1942 13.1942 15.5441 15.5441 18.7983 18.7983 20.2136 20.2136 21.9569 21.9569 22.9082 22.9082 k = 0.4505 0.3745 0.5104 ( 802 PWs) bands (ev): -44.8857 -44.8857 -20.9302 -20.9302 -18.6374 -18.6374 -18.2072 -18.2072 12.0231 12.0231 13.2493 13.2493 15.4661 15.4661 18.6610 18.6610 20.2005 20.2005 22.0572 22.0572 23.0826 23.0826 k = 0.4459 0.3823 0.5104 ( 802 PWs) bands (ev): -44.8852 -44.8852 -20.9304 -20.9304 -18.6346 -18.6346 -18.2140 -18.2140 12.0463 12.0463 13.3092 13.3092 15.3843 15.3843 18.5231 18.5231 20.1863 20.1863 22.1622 22.1622 23.2617 23.2617 k = 0.4414 0.3901 0.5104 ( 806 PWs) bands (ev): -44.8848 -44.8848 -20.9307 -20.9307 -18.6316 -18.6316 -18.2212 -18.2212 12.0716 12.0716 13.3738 13.3738 15.2990 15.2990 18.3853 18.3853 20.1710 20.1710 22.2714 22.2714 23.4450 23.4450 k = 0.4369 0.3979 0.5104 ( 806 PWs) bands (ev): -44.8842 -44.8842 -20.9309 -20.9309 -18.6283 -18.6283 -18.2288 -18.2288 12.0988 12.0988 13.4428 13.4428 15.2110 15.2110 18.2481 18.2481 20.1547 20.1547 22.3841 22.3841 23.6318 23.6318 k = 0.4324 0.4057 0.5104 ( 806 PWs) bands (ev): -44.8836 -44.8836 -20.9312 -20.9312 -18.6248 -18.6248 -18.2367 -18.2367 12.1279 12.1279 13.5162 13.5162 15.1207 15.1207 18.1117 18.1117 20.1373 20.1373 22.4997 22.4997 23.8216 23.8216 k = 0.4279 0.4135 0.5104 ( 810 PWs) bands (ev): -44.8832 -44.8832 -20.9316 -20.9316 -18.6212 -18.6212 -18.2451 -18.2451 12.1590 12.1590 13.5937 13.5937 15.0286 15.0286 17.9766 17.9766 20.1190 20.1190 22.6175 22.6175 24.0142 24.0142 k = 0.4234 0.4213 0.5104 ( 810 PWs) bands (ev): -44.8826 -44.8826 -20.9319 -20.9319 -18.6173 -18.6173 -18.2537 -18.2537 12.1919 12.1919 13.6751 13.6751 14.9352 14.9352 17.8429 17.8429 20.0999 20.0999 22.7368 22.7368 24.2091 24.2091 k = 0.4189 0.4291 0.5104 ( 810 PWs) bands (ev): -44.8819 -44.8819 -20.9322 -20.9322 -18.6133 -18.6133 -18.2625 -18.2625 12.2268 12.2268 13.7602 13.7602 14.8410 14.8410 17.7108 17.7108 20.0799 20.0799 22.8571 22.8571 24.4063 24.4063 k = 0.4144 0.4369 0.5104 ( 810 PWs) bands (ev): -44.8813 -44.8813 -20.9326 -20.9326 -18.6091 -18.6091 -18.2715 -18.2715 12.2635 12.2635 13.8488 13.8488 14.7463 14.7463 17.5805 17.5805 20.0592 20.0592 22.9776 22.9776 24.6054 24.6054 k = 0.4099 0.4447 0.5104 ( 806 PWs) bands (ev): -44.8805 -44.8805 -20.9329 -20.9329 -18.6047 -18.6047 -18.2807 -18.2807 12.3021 12.3021 13.9404 13.9404 14.6515 14.6515 17.4522 17.4522 20.0378 20.0378 23.0978 23.0978 24.8063 24.8063 k = 0.4054 0.4525 0.5104 ( 810 PWs) bands (ev): -44.8800 -44.8800 -20.9334 -20.9334 -18.6002 -18.6002 -18.2900 -18.2900 12.3426 12.3426 14.0347 14.0347 14.5573 14.5573 17.3259 17.3259 20.0159 20.0159 23.2168 23.2168 25.0088 25.0088 k = 0.4009 0.4603 0.5104 ( 810 PWs) bands (ev): -44.8793 -44.8793 -20.9338 -20.9338 -18.5957 -18.5957 -18.2993 -18.2993 12.3848 12.3848 14.1306 14.1306 14.4645 14.4645 17.2019 17.2019 19.9936 19.9936 23.3342 23.3342 25.2128 25.2128 k = 0.3964 0.4681 0.5104 ( 810 PWs) bands (ev): -44.8787 -44.8787 -20.9342 -20.9342 -18.5910 -18.5910 -18.3086 -18.3086 12.4288 12.4288 14.2238 14.2238 14.3774 14.3774 17.0801 17.0801 19.9710 19.9710 23.4491 23.4491 25.4182 25.4182 k = 0.3919 0.4759 0.5104 ( 814 PWs) bands (ev): -44.8782 -44.8782 -20.9347 -20.9347 -18.5863 -18.5863 -18.3179 -18.3179 12.4745 12.4745 14.2515 14.2515 14.3588 14.3588 16.9607 16.9607 19.9482 19.9482 23.5608 23.5608 25.6248 25.6248 k = 0.3874 0.4837 0.5104 ( 814 PWs) bands (ev): -44.8776 -44.8776 -20.9352 -20.9352 -18.5816 -18.5816 -18.3270 -18.3270 12.5220 12.5220 14.1730 14.1730 14.4492 14.4492 16.8438 16.8438 19.9255 19.9255 23.6687 23.6687 25.8326 25.8326 k = 0.3829 0.4915 0.5104 ( 822 PWs) bands (ev): -44.8773 -44.8773 -20.9357 -20.9357 -18.5769 -18.5769 -18.3360 -18.3360 12.5712 12.5712 14.0849 14.0849 14.5519 14.5519 16.7294 16.7294 19.9030 19.9030 23.7718 23.7718 26.0414 26.0414 k = 0.3784 0.4993 0.5104 ( 822 PWs) bands (ev): -44.8768 -44.8768 -20.9362 -20.9362 -18.5722 -18.5722 -18.3446 -18.3446 12.6220 12.6220 13.9966 13.9966 14.6570 14.6570 16.6175 16.6175 19.8809 19.8809 23.8696 23.8696 26.2512 26.2512 k = 0.3739 0.5071 0.5104 ( 822 PWs) bands (ev): -44.8762 -44.8762 -20.9366 -20.9366 -18.5676 -18.5676 -18.3529 -18.3529 12.6745 12.6745 13.9095 13.9095 14.7631 14.7631 16.5083 16.5083 19.8595 19.8595 23.9611 23.9611 26.4618 26.4618 k = 0.3694 0.5149 0.5104 ( 818 PWs) bands (ev): -44.8756 -44.8756 -20.9370 -20.9370 -18.5631 -18.5631 -18.3606 -18.3606 12.7285 12.7285 13.8240 13.8240 14.8693 14.8693 16.4018 16.4018 19.8391 19.8391 24.0455 24.0455 26.6731 26.6731 k = 0.3649 0.5227 0.5104 ( 818 PWs) bands (ev): -44.8751 -44.8751 -20.9374 -20.9374 -18.5589 -18.5589 -18.3679 -18.3679 12.7841 12.7841 13.7403 13.7403 14.9750 14.9750 16.2981 16.2981 19.8198 19.8198 24.1221 24.1221 26.8851 26.8851 k = 0.3604 0.5305 0.5104 ( 818 PWs) bands (ev): -44.8747 -44.8747 -20.9378 -20.9378 -18.5550 -18.5550 -18.3745 -18.3745 12.8411 12.8411 13.6587 13.6587 15.0797 15.0797 16.1971 16.1971 19.8020 19.8020 24.1902 24.1902 27.0976 27.0976 k = 0.3559 0.5383 0.5104 ( 810 PWs) bands (ev): -44.8740 -44.8740 -20.9380 -20.9380 -18.5514 -18.5514 -18.3803 -18.3803 12.8996 12.8996 13.5792 13.5792 15.1826 15.1826 16.0990 16.0990 19.7860 19.7860 24.2489 24.2489 27.3104 27.3104 k = 0.3514 0.5461 0.5104 ( 810 PWs) bands (ev): -44.8737 -44.8737 -20.9383 -20.9383 -18.5484 -18.5484 -18.3853 -18.3853 12.9594 12.9594 13.5021 13.5021 15.2831 15.2831 16.0038 16.0038 19.7721 19.7721 24.2978 24.2978 27.5233 27.5233 k = 0.3468 0.5539 0.5104 ( 810 PWs) bands (ev): -44.8735 -44.8735 -20.9385 -20.9385 -18.5459 -18.5459 -18.3893 -18.3893 13.0204 13.0204 13.4276 13.4276 15.3806 15.3806 15.9116 15.9116 19.7608 19.7608 24.3362 24.3362 27.7358 27.7358 k = 0.3423 0.5617 0.5104 ( 810 PWs) bands (ev): -44.8733 -44.8733 -20.9387 -20.9387 -18.5441 -18.5441 -18.3922 -18.3922 13.0823 13.0823 13.3560 13.3560 15.4741 15.4741 15.8227 15.8227 19.7523 19.7523 24.3638 24.3638 27.9468 27.9468 k = 0.3378 0.5695 0.5104 ( 810 PWs) bands (ev): -44.8732 -44.8732 -20.9388 -20.9388 -18.5431 -18.5431 -18.3940 -18.3940 13.1434 13.1434 13.2891 13.2891 15.5620 15.5620 15.7380 15.7380 19.7469 19.7469 24.3804 24.3804 28.1514 28.1514 k = 0.3333 0.5774 0.5104 ( 810 PWs) bands (ev): -44.8732 -44.8732 -20.9389 -20.9389 -18.5427 -18.5427 -18.3946 -18.3946 13.1854 13.1854 13.2451 13.2451 15.6253 15.6253 15.6759 15.6759 19.7451 19.7451 24.3860 24.3860 28.2899 28.2899 k = 0.3333 0.5774 0.5104 ( 810 PWs) bands (ev): -44.8732 -44.8732 -20.9389 -20.9389 -18.5427 -18.5427 -18.3946 -18.3946 13.1854 13.1854 13.2451 13.2451 15.6253 15.6253 15.6759 15.6759 19.7451 19.7451 24.3860 24.3860 28.2899 28.2899 k = 0.3288 0.5695 0.5104 ( 810 PWs) bands (ev): -44.8732 -44.8732 -20.9388 -20.9388 -18.5430 -18.5430 -18.3940 -18.3940 13.1441 13.1441 13.2884 13.2884 15.5660 15.5660 15.7337 15.7337 19.7470 19.7470 24.3805 24.3805 28.1489 28.1489 k = 0.3243 0.5617 0.5104 ( 810 PWs) bands (ev): -44.8733 -44.8733 -20.9387 -20.9387 -18.5440 -18.5440 -18.3923 -18.3923 13.0852 13.0852 13.3532 13.3532 15.4903 15.4903 15.8049 15.8049 19.7529 19.7529 24.3643 24.3643 27.9370 27.9370 k = 0.3198 0.5539 0.5104 ( 810 PWs) bands (ev): -44.8735 -44.8735 -20.9384 -20.9384 -18.5456 -18.5456 -18.3895 -18.3895 13.0271 13.0271 13.4210 13.4210 15.4163 15.4163 15.8704 15.8704 19.7631 19.7631 24.3377 24.3377 27.7152 27.7152 k = 0.3153 0.5461 0.5104 ( 814 PWs) bands (ev): -44.8740 -44.8740 -20.9381 -20.9381 -18.5476 -18.5476 -18.3858 -18.3858 12.9714 12.9714 13.4904 13.4904 15.3451 15.3451 15.9290 15.9290 19.7774 19.7774 24.3013 24.3013 27.4893 27.4893 k = 0.3108 0.5383 0.5104 ( 814 PWs) bands (ev): -44.8744 -44.8744 -20.9376 -20.9376 -18.5500 -18.5500 -18.3812 -18.3812 12.9185 12.9185 13.5611 13.5611 15.2769 15.2769 15.9800 15.9800 19.7960 19.7960 24.2557 24.2557 27.2612 27.2612 k = 0.3063 0.5305 0.5104 ( 814 PWs) bands (ev): -44.8748 -44.8748 -20.9370 -20.9370 -18.5525 -18.5525 -18.3759 -18.3759 12.8683 12.8683 13.6327 13.6327 15.2117 15.2117 16.0231 16.0231 19.8186 19.8186 24.2013 24.2013 27.0319 27.0319 k = 0.3018 0.5227 0.5104 ( 814 PWs) bands (ev): -44.8754 -44.8754 -20.9362 -20.9362 -18.5551 -18.5551 -18.3699 -18.3699 12.8212 12.8212 13.7052 13.7052 15.1495 15.1495 16.0581 16.0581 19.8449 19.8449 24.1391 24.1391 26.8024 26.8024 k = 0.2973 0.5149 0.5104 ( 814 PWs) bands (ev): -44.8760 -44.8760 -20.9353 -20.9353 -18.5578 -18.5578 -18.3634 -18.3634 12.7770 12.7770 13.7786 13.7786 15.0905 15.0905 16.0849 16.0849 19.8744 19.8744 24.0695 24.0695 26.5733 26.5733 k = 0.2928 0.5071 0.5104 ( 818 PWs) bands (ev): -44.8770 -44.8770 -20.9343 -20.9343 -18.5605 -18.5605 -18.3564 -18.3564 12.7359 12.7359 13.8527 13.8527 15.0346 15.0346 16.1035 16.1035 19.9066 19.9066 23.9933 23.9933 26.3453 26.3453 k = 0.2883 0.4993 0.5104 ( 814 PWs) bands (ev): -44.8777 -44.8777 -20.9330 -20.9330 -18.5629 -18.5629 -18.3489 -18.3489 12.6979 12.6979 13.9274 13.9274 14.9818 14.9818 16.1140 16.1140 19.9408 19.9408 23.9112 23.9112 26.1190 26.1190 k = 0.2838 0.4915 0.5104 ( 814 PWs) bands (ev): -44.8786 -44.8786 -20.9316 -20.9316 -18.5652 -18.5652 -18.3412 -18.3412 12.6631 12.6631 14.0027 14.0027 14.9321 14.9321 16.1168 16.1168 19.9759 19.9759 23.8237 23.8237 25.8951 25.8951 k = 0.2793 0.4837 0.5104 ( 814 PWs) bands (ev): -44.8797 -44.8797 -20.9300 -20.9300 -18.5672 -18.5672 -18.3331 -18.3331 12.6314 12.6314 14.0784 14.0784 14.8856 14.8856 16.1121 16.1121 20.0112 20.0112 23.7314 23.7314 25.6743 25.6743 k = 0.2748 0.4759 0.5104 ( 814 PWs) bands (ev): -44.8808 -44.8808 -20.9283 -20.9283 -18.5690 -18.5690 -18.3247 -18.3247 12.6029 12.6029 14.1545 14.1545 14.8423 14.8423 16.1003 16.1003 20.0454 20.0454 23.6349 23.6349 25.4573 25.4573 k = 0.2703 0.4681 0.5104 ( 814 PWs) bands (ev): -44.8821 -44.8821 -20.9263 -20.9263 -18.5705 -18.5705 -18.3161 -18.3161 12.5775 12.5775 14.2308 14.2308 14.8023 14.8023 16.0818 16.0818 20.0775 20.0775 23.5347 23.5347 25.2450 25.2450 k = 0.2658 0.4603 0.5104 ( 814 PWs) bands (ev): -44.8835 -44.8835 -20.9241 -20.9241 -18.5716 -18.5716 -18.3072 -18.3072 12.5554 12.5554 14.3071 14.3071 14.7655 14.7655 16.0571 16.0571 20.1063 20.1063 23.4312 23.4312 25.0380 25.0380 k = 0.2613 0.4525 0.5104 ( 814 PWs) bands (ev): -44.8850 -44.8850 -20.9218 -20.9218 -18.5725 -18.5725 -18.2982 -18.2982 12.5365 12.5365 14.3832 14.3832 14.7322 14.7322 16.0266 16.0266 20.1304 20.1304 23.3248 23.3248 24.8373 24.8373 k = 0.2568 0.4447 0.5104 ( 814 PWs) bands (ev): -44.8865 -44.8865 -20.9193 -20.9193 -18.5730 -18.5730 -18.2890 -18.2890 12.5208 12.5208 14.4586 14.4586 14.7029 14.7029 15.9907 15.9907 20.1485 20.1485 23.2161 23.2161 24.6438 24.6438 k = 0.2523 0.4369 0.5104 ( 814 PWs) bands (ev): -44.8882 -44.8882 -20.9165 -20.9165 -18.5731 -18.5731 -18.2796 -18.2796 12.5084 12.5084 14.5313 14.5313 14.6792 14.6792 15.9499 15.9499 20.1594 20.1594 23.1052 23.1052 24.4585 24.4585 k = 0.2477 0.4291 0.5104 ( 818 PWs) bands (ev): -44.8902 -44.8902 -20.9137 -20.9137 -18.5730 -18.5730 -18.2701 -18.2701 12.4991 12.4991 14.5911 14.5911 14.6712 14.6712 15.9045 15.9045 20.1618 20.1618 22.9926 22.9926 24.2823 24.2823 k = 0.2432 0.4213 0.5104 ( 814 PWs) bands (ev): -44.8919 -44.8919 -20.9105 -20.9105 -18.5723 -18.5723 -18.2604 -18.2604 12.4931 12.4931 14.6053 14.6053 14.7118 14.7118 15.8551 15.8551 20.1545 20.1545 22.8786 22.8786 24.1161 24.1161 k = 0.2387 0.4135 0.5104 ( 814 PWs) bands (ev): -44.8939 -44.8939 -20.9072 -20.9072 -18.5714 -18.5714 -18.2506 -18.2506 12.4904 12.4904 14.5941 14.5941 14.7804 14.7804 15.8019 15.8019 20.1364 20.1364 22.7635 22.7635 23.9610 23.9610 k = 0.2342 0.4057 0.5104 ( 808 PWs) bands (ev): -44.8957 -44.8957 -20.9036 -20.9036 -18.5700 -18.5700 -18.2405 -18.2405 12.4908 12.4908 14.5807 14.5807 14.8537 14.8537 15.7453 15.7453 20.1065 20.1065 22.6473 22.6473 23.8176 23.8176 k = 0.2297 0.3979 0.5104 ( 808 PWs) bands (ev): -44.8979 -44.8979 -20.9000 -20.9000 -18.5683 -18.5683 -18.2305 -18.2305 12.4945 12.4945 14.5689 14.5689 14.9277 14.9277 15.6858 15.6858 20.0642 20.0642 22.5303 22.5303 23.6867 23.6867 k = 0.2252 0.3901 0.5104 ( 808 PWs) bands (ev): -44.9001 -44.9001 -20.8962 -20.8962 -18.5663 -18.5663 -18.2203 -18.2203 12.5013 12.5013 14.5594 14.5594 15.0013 15.0013 15.6237 15.6237 20.0092 20.0092 22.4125 22.4125 23.5686 23.5686 k = 0.2207 0.3823 0.5104 ( 812 PWs) bands (ev): -44.9026 -44.9026 -20.8923 -20.8923 -18.5641 -18.5641 -18.2100 -18.2100 12.5114 12.5114 14.5526 14.5526 15.0739 15.0739 15.5597 15.5597 19.9414 19.9414 22.2940 22.2940 23.4635 23.4635 k = 0.2162 0.3745 0.5104 ( 812 PWs) bands (ev): -44.9051 -44.9051 -20.8881 -20.8881 -18.5614 -18.5614 -18.1996 -18.1996 12.5245 12.5245 14.5484 14.5484 15.1442 15.1442 15.4949 15.4949 19.8613 19.8613 22.1749 22.1749 23.3713 23.3713 k = 0.2117 0.3667 0.5104 ( 812 PWs) bands (ev): -44.9076 -44.9076 -20.8838 -20.8838 -18.5584 -18.5584 -18.1891 -18.1891 12.5409 12.5409 14.5469 14.5469 15.2091 15.2091 15.4325 15.4325 19.7695 19.7695 22.0550 22.0550 23.2914 23.2914 k = 0.2072 0.3589 0.5104 ( 812 PWs) bands (ev): -44.9102 -44.9102 -20.8794 -20.8794 -18.5551 -18.5551 -18.1785 -18.1785 12.5603 12.5603 14.5481 14.5481 15.2530 15.2530 15.3884 15.3884 19.6670 19.6670 21.9345 21.9345 23.2230 23.2230 k = 0.2027 0.3511 0.5104 ( 812 PWs) bands (ev): -44.9128 -44.9128 -20.8749 -20.8749 -18.5515 -18.5515 -18.1678 -18.1678 12.5829 12.5829 14.5519 14.5519 15.2336 15.2336 15.4046 15.4046 19.5551 19.5551 21.8134 21.8134 23.1652 23.1652 k = 0.1982 0.3433 0.5104 ( 812 PWs) bands (ev): -44.9156 -44.9156 -20.8702 -20.8702 -18.5476 -18.5476 -18.1570 -18.1570 12.6085 12.6085 14.5583 14.5583 15.1718 15.1718 15.4605 15.4605 19.4351 19.4351 21.6917 21.6917 23.1168 23.1168 k = 0.1937 0.3355 0.5104 ( 808 PWs) bands (ev): -44.9182 -44.9182 -20.8654 -20.8654 -18.5434 -18.5434 -18.1461 -18.1461 12.6372 12.6372 14.5673 14.5673 15.0990 15.0990 15.5247 15.5247 19.3083 19.3083 21.5696 21.5696 23.0768 23.0768 k = 0.1892 0.3277 0.5104 ( 804 PWs) bands (ev): -44.9209 -44.9209 -20.8606 -20.8606 -18.5389 -18.5389 -18.1350 -18.1350 12.6689 12.6689 14.5787 14.5787 15.0221 15.0221 15.5903 15.5903 19.1762 19.1762 21.4471 21.4471 23.0438 23.0438 k = 0.1847 0.3199 0.5104 ( 804 PWs) bands (ev): -44.9238 -44.9238 -20.8557 -20.8557 -18.5343 -18.5343 -18.1239 -18.1239 12.7035 12.7035 14.5925 14.5925 14.9428 14.9428 15.6558 15.6558 19.0400 19.0400 21.3243 21.3243 23.0170 23.0170 k = 0.1802 0.3121 0.5104 ( 804 PWs) bands (ev): -44.9267 -44.9267 -20.8507 -20.8507 -18.5294 -18.5294 -18.1127 -18.1127 12.7411 12.7411 14.6084 14.6084 14.8619 14.8619 15.7205 15.7205 18.9010 18.9010 21.2012 21.2012 22.9951 22.9951 k = 0.1757 0.3043 0.5104 ( 810 PWs) bands (ev): -44.9299 -44.9299 -20.8458 -20.8458 -18.5245 -18.5245 -18.1015 -18.1015 12.7816 12.7816 14.6261 14.6261 14.7801 14.7801 15.7841 15.7841 18.7603 18.7603 21.0781 21.0781 22.9775 22.9775 k = 0.1712 0.2965 0.5104 ( 810 PWs) bands (ev): -44.9330 -44.9330 -20.8408 -20.8408 -18.5193 -18.5193 -18.0902 -18.0902 12.8249 12.8249 14.6424 14.6424 14.7006 14.7006 15.8464 15.8464 18.6187 18.6187 20.9548 20.9548 22.9633 22.9633 k = 0.1667 0.2887 0.5104 ( 810 PWs) bands (ev): -44.9360 -44.9360 -20.8357 -20.8357 -18.5140 -18.5140 -18.0787 -18.0787 12.8711 12.8711 14.6035 14.6035 14.6774 14.6774 15.9074 15.9074 18.4774 18.4774 20.8316 20.8316 22.9518 22.9518 k = 0.1622 0.2809 0.5104 ( 810 PWs) bands (ev): -44.9391 -44.9391 -20.8307 -20.8307 -18.5085 -18.5085 -18.0672 -18.0672 12.9200 12.9200 14.5206 14.5206 14.6993 14.6993 15.9668 15.9668 18.3368 18.3368 20.7084 20.7084 22.9426 22.9426 k = 0.1577 0.2731 0.5104 ( 810 PWs) bands (ev): -44.9422 -44.9422 -20.8256 -20.8256 -18.5029 -18.5029 -18.0557 -18.0557 12.9716 12.9716 14.4346 14.4346 14.7254 14.7254 16.0246 16.0246 18.1979 18.1979 20.5853 20.5853 22.9351 22.9351 k = 0.1532 0.2653 0.5104 ( 814 PWs) bands (ev): -44.9454 -44.9454 -20.8207 -20.8207 -18.4973 -18.4973 -18.0441 -18.0441 13.0259 13.0259 14.3475 14.3475 14.7538 14.7538 16.0808 16.0808 18.0611 18.0611 20.4624 20.4624 22.9290 22.9290 k = 0.1486 0.2575 0.5104 ( 814 PWs) bands (ev): -44.9486 -44.9486 -20.8157 -20.8157 -18.4916 -18.4916 -18.0324 -18.0324 13.0829 13.0829 14.2597 14.2597 14.7841 14.7841 16.1353 16.1353 17.9269 17.9269 20.3396 20.3396 22.9240 22.9240 k = 0.1441 0.2497 0.5104 ( 814 PWs) bands (ev): -44.9517 -44.9517 -20.8108 -20.8108 -18.4858 -18.4858 -18.0207 -18.0207 13.1423 13.1423 14.1715 14.1715 14.8161 14.8161 16.1881 16.1881 17.7958 17.7958 20.2169 20.2169 22.9199 22.9199 k = 0.1396 0.2419 0.5104 ( 806 PWs) bands (ev): -44.9544 -44.9544 -20.8058 -20.8058 -18.4800 -18.4800 -18.0088 -18.0088 13.2043 13.2043 14.0830 14.0830 14.8495 14.8495 16.2391 16.2391 17.6681 17.6681 20.0946 20.0946 22.9163 22.9163 k = 0.1351 0.2341 0.5104 ( 806 PWs) bands (ev): -44.9575 -44.9575 -20.8010 -20.8010 -18.4742 -18.4742 -17.9971 -17.9971 13.2687 13.2687 13.9945 13.9945 14.8844 14.8844 16.2884 16.2884 17.5441 17.5441 19.9724 19.9724 22.9132 22.9132 k = 0.1306 0.2263 0.5104 ( 806 PWs) bands (ev): -44.9606 -44.9606 -20.7963 -20.7963 -18.4684 -18.4684 -17.9853 -17.9853 13.3354 13.3354 13.9060 13.9060 14.9205 14.9205 16.3357 16.3357 17.4241 17.4241 19.8506 19.8506 22.9104 22.9104 k = 0.1261 0.2185 0.5104 ( 806 PWs) bands (ev): -44.9636 -44.9636 -20.7917 -20.7917 -18.4627 -18.4627 -17.9736 -17.9736 13.4044 13.4044 13.8179 13.8179 14.9576 14.9576 16.3813 16.3813 17.3083 17.3083 19.7290 19.7290 22.9079 22.9079 k = 0.1216 0.2107 0.5104 ( 810 PWs) bands (ev): -44.9668 -44.9668 -20.7872 -20.7872 -18.4571 -18.4571 -17.9620 -17.9620 13.4756 13.4756 13.7302 13.7302 14.9957 14.9957 16.4249 16.4249 17.1969 17.1969 19.6078 19.6078 22.9055 22.9055 k = 0.1171 0.2029 0.5104 ( 806 PWs) bands (ev): -44.9695 -44.9695 -20.7827 -20.7827 -18.4515 -18.4515 -17.9503 -17.9503 13.5487 13.5487 13.6436 13.6436 15.0346 15.0346 16.4665 16.4665 17.0901 17.0901 19.4869 19.4869 22.9032 22.9032 k = 0.1126 0.1951 0.5104 ( 806 PWs) bands (ev): -44.9724 -44.9724 -20.7785 -20.7785 -18.4460 -18.4460 -17.9387 -17.9387 13.5558 13.5558 13.6257 13.6257 15.0741 15.0741 16.5062 16.5062 16.9879 16.9879 19.3663 19.3663 22.9010 22.9010 k = 0.1081 0.1872 0.5104 ( 798 PWs) bands (ev): -44.9750 -44.9750 -20.7742 -20.7742 -18.4406 -18.4406 -17.9272 -17.9272 13.4713 13.4713 13.7026 13.7026 15.1141 15.1141 16.5436 16.5436 16.8907 16.8907 19.2462 19.2462 22.8988 22.8988 k = 0.1036 0.1794 0.5104 ( 798 PWs) bands (ev): -44.9778 -44.9778 -20.7702 -20.7702 -18.4353 -18.4353 -17.9159 -17.9159 13.3876 13.3876 13.7818 13.7818 15.1544 15.1544 16.5781 16.5781 16.7992 16.7992 19.1265 19.1265 22.8966 22.8966 k = 0.0991 0.1716 0.5104 ( 798 PWs) bands (ev): -44.9805 -44.9805 -20.7663 -20.7663 -18.4303 -18.4303 -17.9047 -17.9047 13.3054 13.3054 13.8629 13.8629 15.1947 15.1947 16.6064 16.6064 16.7167 16.7167 19.0073 19.0073 22.8944 22.8944 k = 0.0946 0.1638 0.5104 ( 798 PWs) bands (ev): -44.9831 -44.9831 -20.7626 -20.7626 -18.4253 -18.4253 -17.8938 -17.8938 13.2249 13.2249 13.9457 13.9457 15.2350 15.2350 16.5982 16.5982 16.6735 16.6735 18.8887 18.8887 22.8922 22.8922 k = 0.0901 0.1560 0.5104 ( 798 PWs) bands (ev): -44.9857 -44.9857 -20.7591 -20.7591 -18.4206 -18.4206 -17.8830 -17.8830 13.1464 13.1464 14.0301 14.0301 15.2750 15.2750 16.5328 16.5328 16.6903 16.6903 18.7706 18.7706 22.8900 22.8900 k = 0.0856 0.1482 0.5104 ( 790 PWs) bands (ev): -44.9879 -44.9879 -20.7555 -20.7555 -18.4159 -18.4159 -17.8725 -17.8725 13.0702 13.0702 14.1160 14.1160 15.3145 15.3145 16.4608 16.4608 16.7165 16.7165 18.6532 18.6532 22.8878 22.8878 k = 0.0811 0.1404 0.5104 ( 790 PWs) bands (ev): -44.9902 -44.9902 -20.7523 -20.7523 -18.4115 -18.4115 -17.8623 -17.8623 12.9963 12.9963 14.2031 14.2031 15.3533 15.3533 16.3914 16.3914 16.7429 16.7429 18.5365 18.5365 22.8856 22.8856 k = 0.0766 0.1326 0.5104 ( 790 PWs) bands (ev): -44.9925 -44.9925 -20.7492 -20.7492 -18.4073 -18.4073 -17.8524 -17.8524 12.9251 12.9251 14.2914 14.2914 15.3913 15.3913 16.3260 16.3260 16.7681 16.7681 18.4207 18.4207 22.8834 22.8834 k = 0.0721 0.1248 0.5104 ( 790 PWs) bands (ev): -44.9947 -44.9947 -20.7463 -20.7463 -18.4033 -18.4033 -17.8429 -17.8429 12.8568 12.8568 14.3807 14.3807 15.4281 15.4281 16.2648 16.2648 16.7919 16.7919 18.3058 18.3058 22.8812 22.8812 k = 0.0676 0.1170 0.5104 ( 790 PWs) bands (ev): -44.9968 -44.9968 -20.7436 -20.7436 -18.3995 -18.3995 -17.8337 -17.8337 12.7915 12.7915 14.4707 14.4707 15.4635 15.4635 16.2079 16.2079 16.8142 16.8142 18.1921 18.1921 22.8791 22.8791 k = 0.0631 0.1092 0.5104 ( 794 PWs) bands (ev): -44.9990 -44.9990 -20.7410 -20.7410 -18.3960 -18.3960 -17.8250 -17.8250 12.7295 12.7295 14.5613 14.5613 15.4973 15.4973 16.1553 16.1553 16.8349 16.8349 18.0796 18.0796 22.8770 22.8770 k = 0.0586 0.1014 0.5104 ( 794 PWs) bands (ev): -45.0008 -45.0008 -20.7386 -20.7386 -18.3927 -18.3927 -17.8168 -17.8168 12.6709 12.6709 14.6523 14.6523 15.5292 15.5292 16.1072 16.1072 16.8540 16.8540 17.9687 17.9687 22.8750 22.8750 k = 0.0541 0.0936 0.5104 ( 794 PWs) bands (ev): -45.0026 -45.0026 -20.7364 -20.7364 -18.3896 -18.3896 -17.8089 -17.8089 12.6159 12.6159 14.7431 14.7431 15.5590 15.5590 16.0636 16.0636 16.8715 16.8715 17.8595 17.8595 22.8731 22.8731 k = 0.0495 0.0858 0.5104 ( 788 PWs) bands (ev): -45.0039 -45.0039 -20.7343 -20.7343 -18.3867 -18.3867 -17.8015 -17.8015 12.5648 12.5648 14.8336 14.8336 15.5863 15.5863 16.0246 16.0246 16.8874 16.8874 17.7526 17.7526 22.8713 22.8713 k = 0.0450 0.0780 0.5104 ( 788 PWs) bands (ev): -45.0054 -45.0054 -20.7324 -20.7324 -18.3841 -18.3841 -17.7947 -17.7947 12.5176 12.5176 14.9232 14.9232 15.6107 15.6107 15.9902 15.9902 16.9016 16.9016 17.6483 17.6483 22.8695 22.8695 k = 0.0405 0.0702 0.5104 ( 788 PWs) bands (ev): -45.0068 -45.0068 -20.7307 -20.7307 -18.3817 -18.3817 -17.7885 -17.7885 12.4744 12.4744 15.0113 15.0113 15.6319 15.6319 15.9607 15.9607 16.9143 16.9143 17.5473 17.5473 22.8679 22.8679 k = 0.0360 0.0624 0.5104 ( 788 PWs) bands (ev): -45.0080 -45.0080 -20.7292 -20.7292 -18.3795 -18.3795 -17.7829 -17.7829 12.4354 12.4354 15.0971 15.0971 15.6496 15.6496 15.9361 15.9361 16.9251 16.9251 17.4503 17.4503 22.8665 22.8665 k = 0.0315 0.0546 0.5104 ( 786 PWs) bands (ev): -45.0090 -45.0090 -20.7279 -20.7279 -18.3776 -18.3776 -17.7778 -17.7778 12.4008 12.4008 15.1798 15.1798 15.6634 15.6634 15.9167 15.9167 16.9341 16.9341 17.3584 17.3584 22.8652 22.8652 k = 0.0270 0.0468 0.5104 ( 786 PWs) bands (ev): -45.0099 -45.0099 -20.7267 -20.7267 -18.3760 -18.3760 -17.7734 -17.7734 12.3706 12.3706 15.2582 15.2582 15.6734 15.6734 15.9022 15.9022 16.9410 16.9410 17.2732 17.2732 22.8640 22.8640 k = 0.0225 0.0390 0.5104 ( 790 PWs) bands (ev): -45.0109 -45.0109 -20.7258 -20.7258 -18.3747 -18.3747 -17.7697 -17.7697 12.3449 12.3449 15.3305 15.3305 15.6796 15.6796 15.8922 15.8922 16.9451 16.9451 17.1967 17.1967 22.8630 22.8630 k = 0.0180 0.0312 0.5104 ( 786 PWs) bands (ev): -45.0114 -45.0114 -20.7250 -20.7250 -18.3735 -18.3735 -17.7665 -17.7665 12.3237 12.3237 15.3951 15.3951 15.6828 15.6828 15.8861 15.8861 16.9457 16.9457 17.1317 17.1317 22.8622 22.8622 k = 0.0135 0.0234 0.5104 ( 786 PWs) bands (ev): -45.0119 -45.0119 -20.7244 -20.7244 -18.3726 -18.3726 -17.7641 -17.7641 12.3072 12.3072 15.4495 15.4495 15.6839 15.6839 15.8828 15.8828 16.9414 16.9414 17.0819 17.0819 22.8615 22.8615 k = 0.0090 0.0156 0.5104 ( 786 PWs) bands (ev): -45.0123 -45.0123 -20.7239 -20.7239 -18.3720 -18.3720 -17.7623 -17.7623 12.2954 12.2954 15.4911 15.4911 15.6838 15.6838 15.8812 15.8812 16.9319 16.9319 17.0500 17.0500 22.8611 22.8611 k = 0.0045 0.0078 0.5104 ( 782 PWs) bands (ev): -45.0124 -45.0124 -20.7236 -20.7236 -18.3715 -18.3715 -17.7612 -17.7612 12.2883 12.2883 15.5174 15.5174 15.6833 15.6833 15.8806 15.8806 16.9217 16.9217 17.0343 17.0343 22.8608 22.8608 k = 0.0000 0.0000 0.5104 ( 780 PWs) bands (ev): -45.0124 -45.0124 -20.7235 -20.7235 -18.3714 -18.3714 -17.7609 -17.7609 12.2859 12.2859 15.5265 15.5265 15.6830 15.6830 15.8804 15.8804 16.9172 16.9172 17.0298 17.0298 22.8607 22.8607 k = 0.5000 0.2887 0.5104 ( 800 PWs) bands (ev): -44.8884 -44.8884 -20.9291 -20.9291 -18.6526 -18.6526 -18.1695 -18.1695 11.8999 11.8999 12.9259 12.9259 15.9664 15.9664 19.7673 19.7673 20.2799 20.2799 21.3591 21.3591 21.8230 21.8230 k = 0.5000 0.2887 0.5015 ( 804 PWs) bands (ev): -44.8887 -44.8887 -20.9290 -20.9290 -18.6524 -18.6524 -18.1695 -18.1695 11.9016 11.9016 12.9251 12.9251 15.9678 15.9678 19.7671 19.7671 20.2582 20.2582 21.3737 21.3737 21.8241 21.8241 k = 0.5000 0.2887 0.4925 ( 804 PWs) bands (ev): -44.8889 -44.8889 -20.9286 -20.9286 -18.6517 -18.6517 -18.1695 -18.1695 11.9068 11.9068 12.9225 12.9225 15.9721 15.9721 19.7663 19.7663 20.1972 20.1972 21.4126 21.4126 21.8286 21.8286 k = 0.5000 0.2887 0.4836 ( 804 PWs) bands (ev): -44.8892 -44.8892 -20.9279 -20.9279 -18.6506 -18.6506 -18.1694 -18.1694 11.9153 11.9153 12.9182 12.9182 15.9792 15.9792 19.7650 19.7650 20.1054 20.1054 21.4637 21.4637 21.8402 21.8402 k = 0.5000 0.2887 0.4746 ( 804 PWs) bands (ev): -44.8896 -44.8896 -20.9269 -20.9269 -18.6490 -18.6490 -18.1693 -18.1693 11.9273 11.9273 12.9122 12.9122 15.9891 15.9891 19.7624 19.7624 19.9918 19.9918 21.5120 21.5120 21.8657 21.8657 k = 0.5000 0.2887 0.4657 ( 802 PWs) bands (ev): -44.8901 -44.8901 -20.9257 -20.9257 -18.6470 -18.6470 -18.1690 -18.1690 11.9426 11.9426 12.9045 12.9045 16.0019 16.0019 19.7552 19.7552 19.8665 19.8665 21.5441 21.5441 21.9120 21.9120 k = 0.5000 0.2887 0.4567 ( 802 PWs) bands (ev): -44.8907 -44.8907 -20.9242 -20.9242 -18.6446 -18.6446 -18.1688 -18.1688 11.9613 11.9613 12.8953 12.8953 16.0175 16.0175 19.6967 19.6967 19.7806 19.7806 21.5546 21.5546 21.9803 21.9803 k = 0.5000 0.2887 0.4477 ( 802 PWs) bands (ev): -44.8915 -44.8915 -20.9224 -20.9224 -18.6417 -18.6417 -18.1686 -18.1686 11.9835 11.9835 12.8844 12.8844 16.0358 16.0358 19.5559 19.5559 19.7681 19.7681 21.5469 21.5469 22.0647 22.0647 k = 0.5000 0.2887 0.4388 ( 806 PWs) bands (ev): -44.8925 -44.8925 -20.9205 -20.9205 -18.6385 -18.6385 -18.1682 -18.1682 12.0090 12.0090 12.8720 12.8720 16.0569 16.0569 19.4000 19.4000 19.7638 19.7638 21.5259 21.5259 22.1583 22.1583 k = 0.5000 0.2887 0.4298 ( 806 PWs) bands (ev): -44.8935 -44.8935 -20.9183 -20.9183 -18.6349 -18.6349 -18.1678 -18.1678 12.0378 12.0378 12.8581 12.8581 16.0807 16.0807 19.2377 19.2377 19.7606 19.7606 21.4954 21.4954 22.2565 22.2565 k = 0.5000 0.2887 0.4209 ( 806 PWs) bands (ev): -44.8946 -44.8946 -20.9159 -20.9159 -18.6308 -18.6308 -18.1673 -18.1673 12.0700 12.0700 12.8427 12.8427 16.1072 16.1072 19.0710 19.0710 19.7576 19.7576 21.4575 21.4575 22.3564 22.3564 k = 0.5000 0.2887 0.4119 ( 810 PWs) bands (ev): -44.8960 -44.8960 -20.9133 -20.9133 -18.6265 -18.6265 -18.1667 -18.1667 12.1054 12.1054 12.8260 12.8260 16.1363 16.1363 18.9009 18.9009 19.7545 19.7545 21.4135 21.4135 22.4564 22.4564 k = 0.5000 0.2887 0.4030 ( 808 PWs) bands (ev): -44.8973 -44.8973 -20.9105 -20.9105 -18.6217 -18.6217 -18.1660 -18.1660 12.1442 12.1442 12.8080 12.8080 16.1680 16.1680 18.7283 18.7283 19.7513 19.7513 21.3642 21.3642 22.5553 22.5553 k = 0.5000 0.2887 0.3940 ( 808 PWs) bands (ev): -44.8987 -44.8987 -20.9074 -20.9074 -18.6166 -18.6166 -18.1652 -18.1652 12.1862 12.1862 12.7888 12.7888 16.2023 16.2023 18.5538 18.5538 19.7479 19.7479 21.3101 21.3101 22.6525 22.6525 k = 0.5000 0.2887 0.3851 ( 804 PWs) bands (ev): -44.9000 -44.9000 -20.9042 -20.9042 -18.6112 -18.6112 -18.1642 -18.1642 12.2315 12.2315 12.7685 12.7685 16.2390 16.2390 18.3779 18.3779 19.7444 19.7444 21.2516 21.2516 22.7476 22.7476 k = 0.5000 0.2887 0.3761 ( 808 PWs) bands (ev): -44.9017 -44.9017 -20.9009 -20.9009 -18.6056 -18.6056 -18.1631 -18.1631 12.2799 12.2799 12.7470 12.7470 16.2782 16.2782 18.2012 18.2012 19.7407 19.7407 21.1891 21.1891 22.8402 22.8402 k = 0.5000 0.2887 0.3672 ( 808 PWs) bands (ev): -44.9034 -44.9034 -20.8975 -20.8975 -18.5998 -18.5998 -18.1617 -18.1617 12.3315 12.3315 12.7246 12.7246 16.3197 16.3197 18.0241 18.0241 19.7368 19.7368 21.1227 21.1227 22.9301 22.9301 k = 0.5000 0.2887 0.3582 ( 808 PWs) bands (ev): -44.9051 -44.9051 -20.8939 -20.8939 -18.5937 -18.5937 -18.1602 -18.1602 12.3862 12.3862 12.7014 12.7014 16.3635 16.3635 17.8471 17.8471 19.7327 19.7327 21.0526 21.0526 23.0172 23.0172 k = 0.5000 0.2887 0.3492 ( 808 PWs) bands (ev): -44.9070 -44.9070 -20.8902 -20.8902 -18.5875 -18.5875 -18.1585 -18.1585 12.4440 12.4440 12.6773 12.6773 16.4094 16.4094 17.6706 17.6706 19.7285 19.7285 20.9791 20.9791 23.1013 23.1013 k = 0.5000 0.2887 0.3403 ( 808 PWs) bands (ev): -44.9088 -44.9088 -20.8864 -20.8864 -18.5811 -18.5811 -18.1565 -18.1565 12.5047 12.5047 12.6526 12.6526 16.4573 16.4573 17.4949 17.4949 19.7242 19.7242 20.9024 20.9024 23.1824 23.1824 k = 0.5000 0.2887 0.3313 ( 804 PWs) bands (ev): -44.9106 -44.9106 -20.8825 -20.8825 -18.5746 -18.5746 -18.1542 -18.1542 12.5676 12.5676 12.6282 12.6282 16.5069 16.5069 17.3207 17.3207 19.7197 19.7197 20.8224 20.8224 23.2604 23.2604 k = 0.5000 0.2887 0.3224 ( 804 PWs) bands (ev): -44.9126 -44.9126 -20.8786 -20.8786 -18.5681 -18.5681 -18.1516 -18.1516 12.5973 12.5973 12.6392 12.6392 16.5578 16.5578 17.1486 17.1486 19.7151 19.7151 20.7396 20.7396 23.3352 23.3352 k = 0.5000 0.2887 0.3134 ( 804 PWs) bands (ev): -44.9146 -44.9146 -20.8747 -20.8747 -18.5616 -18.5616 -18.1488 -18.1488 12.5727 12.5727 12.7071 12.7071 16.6083 16.6083 16.9804 16.9804 19.7104 19.7104 20.6538 20.6538 23.4068 23.4068 k = 0.5000 0.2887 0.3045 ( 804 PWs) bands (ev): -44.9167 -44.9167 -20.8707 -20.8707 -18.5550 -18.5550 -18.1457 -18.1457 12.5460 12.5460 12.7796 12.7796 16.6500 16.6500 16.8249 16.8249 19.7056 19.7056 20.5654 20.5654 23.4752 23.4752 k = 0.5000 0.2887 0.2955 ( 804 PWs) bands (ev): -44.9188 -44.9188 -20.8667 -20.8667 -18.5486 -18.5486 -18.1422 -18.1422 12.5188 12.5188 12.8551 12.8551 16.6032 16.6032 16.7619 16.7619 19.7006 19.7006 20.4743 20.4743 23.5403 23.5403 k = 0.5000 0.2887 0.2866 ( 802 PWs) bands (ev): -44.9209 -44.9209 -20.8627 -20.8627 -18.5422 -18.5422 -18.1384 -18.1384 12.4913 12.4913 12.9334 12.9334 16.4555 16.4555 16.8038 16.8038 19.6956 19.6956 20.3808 20.3808 23.6022 23.6022 k = 0.5000 0.2887 0.2776 ( 802 PWs) bands (ev): -44.9231 -44.9231 -20.8588 -20.8588 -18.5360 -18.5360 -18.1342 -18.1342 12.4636 12.4636 13.0146 13.0146 16.2973 16.2973 16.8605 16.8605 19.6905 19.6905 20.2850 20.2850 23.6609 23.6609 k = 0.5000 0.2887 0.2686 ( 802 PWs) bands (ev): -44.9253 -44.9253 -20.8549 -20.8549 -18.5299 -18.5299 -18.1297 -18.1297 12.4358 12.4358 13.0984 13.0984 16.1397 16.1397 16.9209 16.9209 19.6853 19.6853 20.1869 20.1869 23.7165 23.7165 k = 0.5000 0.2887 0.2597 ( 802 PWs) bands (ev): -44.9275 -44.9275 -20.8510 -20.8510 -18.5241 -18.5241 -18.1248 -18.1248 12.4080 12.4080 13.1848 13.1848 15.9845 15.9845 16.9834 16.9834 19.6800 19.6800 20.0868 20.0868 23.7689 23.7689 k = 0.5000 0.2887 0.2507 ( 804 PWs) bands (ev): -44.9297 -44.9297 -20.8473 -20.8473 -18.5185 -18.5185 -18.1196 -18.1196 12.3803 12.3803 13.2738 13.2738 15.8324 15.8324 17.0472 17.0472 19.6744 19.6744 19.9848 19.9848 23.8183 23.8183 k = 0.5000 0.2887 0.2418 ( 804 PWs) bands (ev): -44.9319 -44.9319 -20.8435 -20.8435 -18.5131 -18.5131 -18.1141 -18.1141 12.3527 12.3527 13.3653 13.3653 15.6839 15.6839 17.1122 17.1122 19.6681 19.6681 19.8814 19.8814 23.8647 23.8647 k = 0.5000 0.2887 0.2328 ( 804 PWs) bands (ev): -44.9341 -44.9341 -20.8399 -20.8399 -18.5080 -18.5080 -18.1081 -18.1081 12.3253 12.3253 13.4592 13.4592 15.5391 15.5391 17.1779 17.1779 19.6597 19.6597 19.7785 19.7785 23.9082 23.9082 k = 0.5000 0.2887 0.2239 ( 800 PWs) bands (ev): -44.9361 -44.9361 -20.8362 -20.8362 -18.5032 -18.5032 -18.1018 -18.1018 12.2981 12.2981 13.5555 13.5555 15.3983 15.3983 17.2443 17.2443 19.6333 19.6333 19.6916 19.6916 23.9489 23.9489 k = 0.5000 0.2887 0.2149 ( 800 PWs) bands (ev): -44.9382 -44.9382 -20.8328 -20.8328 -18.4987 -18.4987 -18.0953 -18.0953 12.2714 12.2714 13.6541 13.6541 15.2618 15.2618 17.3110 17.3110 19.5447 19.5447 19.6652 19.6652 23.9868 23.9868 k = 0.5000 0.2887 0.2060 ( 804 PWs) bands (ev): -44.9405 -44.9405 -20.8295 -20.8295 -18.4945 -18.4945 -18.0886 -18.0886 12.2450 12.2450 13.7549 13.7549 15.1298 15.1298 17.3779 17.3779 19.4365 19.4365 19.6569 19.6569 24.0222 24.0222 k = 0.5000 0.2887 0.1970 ( 800 PWs) bands (ev): -44.9424 -44.9424 -20.8262 -20.8262 -18.4906 -18.4906 -18.0816 -18.0816 12.2191 12.2191 13.8578 13.8578 15.0024 15.0024 17.4447 17.4447 19.3243 19.3243 19.6510 19.6510 24.0550 24.0550 k = 0.5000 0.2887 0.1881 ( 802 PWs) bands (ev): -44.9445 -44.9445 -20.8231 -20.8231 -18.4871 -18.4871 -18.0744 -18.0744 12.1937 12.1937 13.9627 13.9627 14.8798 14.8798 17.5112 17.5112 19.2100 19.2100 19.6458 19.6458 24.0855 24.0855 k = 0.5000 0.2887 0.1791 ( 802 PWs) bands (ev): -44.9465 -44.9465 -20.8201 -20.8201 -18.4838 -18.4838 -18.0671 -18.0671 12.1690 12.1690 14.0694 14.0694 14.7622 14.7622 17.5772 17.5772 19.0940 19.0940 19.6410 19.6410 24.1136 24.1136 k = 0.5000 0.2887 0.1701 ( 802 PWs) bands (ev): -44.9484 -44.9484 -20.8172 -20.8172 -18.4808 -18.4808 -18.0597 -18.0597 12.1448 12.1448 14.1778 14.1778 14.6500 14.6500 17.6425 17.6425 18.9766 18.9766 19.6365 19.6365 24.1396 24.1396 k = 0.5000 0.2887 0.1612 ( 802 PWs) bands (ev): -44.9503 -44.9503 -20.8144 -20.8144 -18.4781 -18.4781 -18.0523 -18.0523 12.1214 12.1214 14.2871 14.2871 14.5439 14.5439 17.7067 17.7067 18.8577 18.8577 19.6322 19.6322 24.1636 24.1636 k = 0.5000 0.2887 0.1522 ( 802 PWs) bands (ev): -44.9521 -44.9521 -20.8118 -20.8118 -18.4757 -18.4757 -18.0449 -18.0449 12.0988 12.0988 14.3865 14.3865 14.4547 14.4547 17.7696 17.7696 18.7377 18.7377 19.6281 19.6281 24.1855 24.1855 k = 0.5000 0.2887 0.1433 ( 802 PWs) bands (ev): -44.9538 -44.9538 -20.8094 -20.8094 -18.4735 -18.4735 -18.0376 -18.0376 12.0770 12.0770 14.3366 14.3366 14.5218 14.5218 17.8310 17.8310 18.6165 18.6165 19.6242 19.6242 24.2057 24.2057 k = 0.5000 0.2887 0.1343 ( 802 PWs) bands (ev): -44.9555 -44.9555 -20.8070 -20.8070 -18.4715 -18.4715 -18.0304 -18.0304 12.0561 12.0561 14.2478 14.2478 14.6349 14.6349 17.8905 17.8905 18.4943 18.4943 19.6205 19.6205 24.2240 24.2240 k = 0.5000 0.2887 0.1254 ( 802 PWs) bands (ev): -44.9570 -44.9570 -20.8049 -20.8049 -18.4698 -18.4698 -18.0233 -18.0233 12.0362 12.0362 14.1627 14.1627 14.7512 14.7512 17.9479 17.9479 18.3713 18.3713 19.6170 19.6170 24.2407 24.2407 k = 0.5000 0.2887 0.1164 ( 800 PWs) bands (ev): -44.9584 -44.9584 -20.8028 -20.8028 -18.4682 -18.4682 -18.0165 -18.0165 12.0173 12.0173 14.0830 14.0830 14.8692 14.8692 18.0026 18.0026 18.2478 18.2478 19.6137 19.6137 24.2559 24.2559 k = 0.5000 0.2887 0.1075 ( 802 PWs) bands (ev): -44.9599 -44.9599 -20.8010 -20.8010 -18.4669 -18.4669 -18.0100 -18.0100 11.9994 11.9994 14.0089 14.0089 14.9885 14.9885 18.0525 18.0525 18.1257 18.1257 19.6107 19.6107 24.2696 24.2696 k = 0.5000 0.2887 0.0985 ( 802 PWs) bands (ev): -44.9612 -44.9612 -20.7993 -20.7993 -18.4657 -18.4657 -18.0038 -18.0038 11.9827 11.9827 13.9405 13.9405 15.1088 15.1088 17.9945 17.9945 18.1081 18.1081 19.6079 19.6079 24.2819 24.2819 k = 0.5000 0.2887 0.0895 ( 802 PWs) bands (ev): -44.9624 -44.9624 -20.7977 -20.7977 -18.4647 -18.4647 -17.9980 -17.9980 11.9672 11.9672 13.8779 13.8779 15.2301 15.2301 17.8703 17.8703 18.1531 18.1531 19.6053 19.6053 24.2928 24.2928 k = 0.5000 0.2887 0.0806 ( 802 PWs) bands (ev): -44.9635 -44.9635 -20.7962 -20.7962 -18.4638 -18.4638 -17.9926 -17.9926 11.9529 11.9529 13.8212 13.8212 15.3519 15.3519 17.7449 17.7449 18.1957 18.1957 19.6029 19.6029 24.3025 24.3025 k = 0.5000 0.2887 0.0716 ( 798 PWs) bands (ev): -44.9643 -44.9643 -20.7949 -20.7949 -18.4630 -18.4630 -17.9876 -17.9876 11.9399 11.9399 13.7703 13.7703 15.4741 15.4741 17.6193 17.6193 18.2348 18.2348 19.6008 19.6008 24.3111 24.3111 k = 0.5000 0.2887 0.0627 ( 800 PWs) bands (ev): -44.9652 -44.9652 -20.7938 -20.7938 -18.4624 -18.4624 -17.9832 -17.9832 11.9284 11.9284 13.7255 13.7255 15.5963 15.5963 17.4942 17.4942 18.2699 18.2699 19.5989 19.5989 24.3185 24.3185 k = 0.5000 0.2887 0.0537 ( 800 PWs) bands (ev): -44.9660 -44.9660 -20.7928 -20.7928 -18.4619 -18.4619 -17.9793 -17.9793 11.9182 11.9182 13.6865 13.6865 15.7179 15.7179 17.3701 17.3701 18.3009 18.3009 19.5972 19.5972 24.3248 24.3248 k = 0.5000 0.2887 0.0448 ( 800 PWs) bands (ev): -44.9667 -44.9667 -20.7920 -20.7920 -18.4614 -18.4614 -17.9759 -17.9759 11.9095 11.9095 13.6536 13.6536 15.8381 15.8381 17.2477 17.2477 18.3275 18.3275 19.5958 19.5958 24.3300 24.3300 k = 0.5000 0.2887 0.0358 ( 800 PWs) bands (ev): -44.9672 -44.9672 -20.7913 -20.7913 -18.4611 -18.4611 -17.9731 -17.9731 11.9023 11.9023 13.6266 13.6266 15.9553 15.9553 17.1287 17.1287 18.3495 18.3495 19.5947 19.5947 24.3343 24.3343 k = 0.5000 0.2887 0.0269 ( 800 PWs) bands (ev): -44.9676 -44.9676 -20.7908 -20.7908 -18.4608 -18.4608 -17.9709 -17.9709 11.8967 11.8967 13.6056 13.6056 16.0670 16.0670 17.0157 17.0157 18.3668 18.3668 19.5938 19.5938 24.3376 24.3376 k = 0.5000 0.2887 0.0179 ( 800 PWs) bands (ev): -44.9679 -44.9679 -20.7904 -20.7904 -18.4606 -18.4606 -17.9694 -17.9694 11.8927 11.8927 13.5907 13.5907 16.1671 16.1671 16.9146 16.9146 18.3792 18.3792 19.5932 19.5932 24.3399 24.3399 k = 0.5000 0.2887 0.0090 ( 800 PWs) bands (ev): -44.9681 -44.9681 -20.7902 -20.7902 -18.4605 -18.4605 -17.9684 -17.9684 11.8902 11.8902 13.5817 13.5817 16.2433 16.2433 16.8378 16.8378 18.3867 18.3867 19.5928 19.5928 24.3413 24.3413 k = 0.5000 0.2887-0.0000 ( 804 PWs) bands (ev): -44.9683 -44.9683 -20.7902 -20.7902 -18.4605 -18.4605 -17.9682 -17.9682 11.8894 11.8894 13.5787 13.5787 16.2735 16.2735 16.8074 16.8074 18.3892 18.3892 19.5927 19.5927 24.3417 24.3417 k = 0.3333 0.5774-0.0000 ( 798 PWs) bands (ev): -44.9519 -44.9519 -20.8034 -20.8034 -18.4892 -18.4892 -18.0637 -18.0637 13.7744 13.7744 14.2351 14.2351 14.2727 14.2727 16.9980 16.9980 17.0997 17.0997 23.2413 23.2413 23.2630 23.2630 k = 0.3333 0.5774 0.0090 ( 798 PWs) bands (ev): -44.9518 -44.9518 -20.8034 -20.8034 -18.4891 -18.4891 -18.0641 -18.0641 13.7776 13.7776 14.2350 14.2350 14.2726 14.2726 16.9952 16.9952 17.0966 17.0966 23.2454 23.2454 23.2673 23.2673 k = 0.3333 0.5774 0.0179 ( 801 PWs) bands (ev): -44.9517 -44.9517 -20.8037 -20.8037 -18.4889 -18.4889 -18.0654 -18.0654 13.7873 13.7873 14.2344 14.2344 14.2722 14.2722 16.9867 16.9867 17.0873 17.0873 23.2577 23.2577 23.2802 23.2802 k = 0.3333 0.5774 0.0269 ( 801 PWs) bands (ev): -44.9514 -44.9514 -20.8041 -20.8041 -18.4886 -18.4886 -18.0675 -18.0675 13.8033 13.8033 14.2335 14.2335 14.2714 14.2714 16.9727 16.9727 17.0719 17.0719 23.2781 23.2781 23.3017 23.3017 k = 0.3333 0.5774 0.0358 ( 801 PWs) bands (ev): -44.9510 -44.9510 -20.8046 -20.8046 -18.4881 -18.4881 -18.0704 -18.0704 13.8258 13.8258 14.2321 14.2321 14.2704 14.2704 16.9533 16.9533 17.0507 17.0507 23.3060 23.3060 23.3077 23.3077 k = 0.3333 0.5774 0.0448 ( 801 PWs) bands (ev): -44.9505 -44.9505 -20.8052 -20.8052 -18.4875 -18.4875 -18.0740 -18.0740 13.8546 13.8546 14.2303 14.2303 14.2691 14.2691 16.9288 16.9288 17.0239 17.0239 23.3120 23.3120 23.3425 23.3425 k = 0.3333 0.5774 0.0537 ( 801 PWs) bands (ev): -44.9499 -44.9499 -20.8061 -20.8061 -18.4867 -18.4867 -18.0785 -18.0785 13.8897 13.8897 14.2281 14.2281 14.2673 14.2673 16.8996 16.8996 16.9918 16.9918 23.3178 23.3178 23.3859 23.3860 k = 0.3333 0.5774 0.0627 ( 801 PWs) bands (ev): -44.9491 -44.9491 -20.8070 -20.8070 -18.4858 -18.4858 -18.0838 -18.0838 13.9311 13.9311 14.2253 14.2253 14.2652 14.2652 16.8659 16.8659 16.9549 16.9549 23.3246 23.3246 23.4364 23.4364 k = 0.3333 0.5774 0.0716 ( 801 PWs) bands (ev): -44.9482 -44.9482 -20.8081 -20.8081 -18.4847 -18.4847 -18.0897 -18.0897 13.9788 13.9788 14.2220 14.2220 14.2626 14.2626 16.8282 16.8282 16.9135 16.9135 23.3324 23.3324 23.4936 23.4936 k = 0.3333 0.5774 0.0806 ( 804 PWs) bands (ev): -44.9474 -44.9474 -20.8094 -20.8094 -18.4836 -18.4836 -18.0966 -18.0966 14.0326 14.0326 14.2180 14.2180 14.2594 14.2594 16.7869 16.7869 16.8683 16.8683 23.3413 23.3413 23.5570 23.5570 k = 0.3333 0.5774 0.0895 ( 804 PWs) bands (ev): -44.9463 -44.9463 -20.8108 -20.8108 -18.4823 -18.4823 -18.1040 -18.1040 14.0925 14.0925 14.2134 14.2134 14.2556 14.2556 16.7426 16.7426 16.8196 16.8196 23.3511 23.3511 23.6263 23.6263 k = 0.3333 0.5774 0.0985 ( 798 PWs) bands (ev): -44.9449 -44.9449 -20.8123 -20.8123 -18.4808 -18.4808 -18.1120 -18.1120 14.1580 14.1580 14.2084 14.2084 14.2512 14.2512 16.6956 16.6956 16.7679 16.7679 23.3619 23.3619 23.7011 23.7011 k = 0.3333 0.5774 0.1075 ( 792 PWs) bands (ev): -44.9433 -44.9433 -20.8139 -20.8139 -18.4791 -18.4791 -18.1206 -18.1206 14.1999 14.1999 14.2322 14.2322 14.2460 14.2460 16.6464 16.6464 16.7139 16.7139 23.3737 23.3737 23.7809 23.7809 k = 0.3333 0.5774 0.1164 ( 792 PWs) bands (ev): -44.9419 -44.9419 -20.8157 -20.8157 -18.4775 -18.4775 -18.1299 -18.1299 14.1935 14.1935 14.2399 14.2399 14.3090 14.3090 16.5956 16.5956 16.6579 16.6579 23.3865 23.3865 23.8652 23.8652 k = 0.3333 0.5774 0.1254 ( 792 PWs) bands (ev): -44.9405 -44.9405 -20.8177 -20.8177 -18.4757 -18.4757 -18.1398 -18.1398 14.1853 14.1853 14.2329 14.2329 14.3925 14.3925 16.5436 16.5436 16.6005 16.6005 23.4001 23.4001 23.9537 23.9538 k = 0.3333 0.5774 0.1343 ( 795 PWs) bands (ev): -44.9390 -44.9390 -20.8199 -20.8199 -18.4739 -18.4739 -18.1502 -18.1502 14.1759 14.1759 14.2248 14.2248 14.4817 14.4817 16.4910 16.4910 16.5423 16.5423 23.4147 23.4147 24.0460 24.0460 k = 0.3333 0.5774 0.1433 ( 801 PWs) bands (ev): -44.9377 -44.9377 -20.8223 -20.8223 -18.4720 -18.4720 -18.1612 -18.1612 14.1651 14.1651 14.2156 14.2156 14.5764 14.5764 16.4381 16.4381 16.4836 16.4836 23.4301 23.4301 24.1417 24.1417 k = 0.3333 0.5774 0.1522 ( 801 PWs) bands (ev): -44.9359 -44.9359 -20.8247 -20.8247 -18.4700 -18.4700 -18.1726 -18.1726 14.1530 14.1530 14.2050 14.2050 14.6765 14.6765 16.3854 16.3854 16.4250 16.4250 23.4464 23.4464 24.2403 24.2403 k = 0.3333 0.5774 0.1612 ( 795 PWs) bands (ev): -44.9339 -44.9339 -20.8271 -20.8271 -18.4678 -18.4678 -18.1842 -18.1842 14.1394 14.1394 14.1931 14.1931 14.7819 14.7819 16.3334 16.3334 16.3668 16.3668 23.4635 23.4635 24.3417 24.3417 k = 0.3333 0.5774 0.1701 ( 795 PWs) bands (ev): -44.9321 -44.9321 -20.8298 -20.8298 -18.4656 -18.4656 -18.1963 -18.1963 14.1243 14.1243 14.1797 14.1797 14.8923 14.8923 16.2825 16.2825 16.3096 16.3096 23.4815 23.4815 24.4453 24.4453 k = 0.3333 0.5774 0.1791 ( 804 PWs) bands (ev): -44.9305 -44.9305 -20.8328 -20.8328 -18.4634 -18.4634 -18.2088 -18.2088 14.1075 14.1075 14.1647 14.1647 15.0075 15.0075 16.2332 16.2332 16.2536 16.2536 23.5002 23.5002 24.5510 24.5510 k = 0.3333 0.5774 0.1881 ( 807 PWs) bands (ev): -44.9287 -44.9287 -20.8357 -20.8357 -18.4611 -18.4611 -18.2216 -18.2216 14.0891 14.0891 14.1480 14.1480 15.1272 15.1272 16.1858 16.1858 16.1994 16.1994 23.5197 23.5197 24.6584 24.6584 k = 0.3333 0.5774 0.1970 ( 807 PWs) bands (ev): -44.9267 -44.9267 -20.8388 -20.8388 -18.4586 -18.4586 -18.2345 -18.2345 14.0689 14.0689 14.1295 14.1295 15.2511 15.2511 16.1409 16.1409 16.1470 16.1470 23.5399 23.5399 24.7673 24.7673 k = 0.3333 0.5774 0.2060 ( 807 PWs) bands (ev): -44.9246 -44.9246 -20.8420 -20.8420 -18.4562 -18.4562 -18.2475 -18.2475 14.0470 14.0470 14.1093 14.1093 15.3786 15.3786 16.0970 16.0970 16.0991 16.0991 23.5608 23.5608 24.8774 24.8774 k = 0.3333 0.5774 0.2149 ( 807 PWs) bands (ev): -44.9225 -44.9225 -20.8453 -20.8453 -18.4537 -18.4537 -18.2607 -18.2607 14.0233 14.0233 14.0871 14.0871 15.5086 15.5086 16.0494 16.0494 16.0615 16.0615 23.5824 23.5824 24.9885 24.9885 k = 0.3333 0.5774 0.2239 ( 807 PWs) bands (ev): -44.9204 -44.9204 -20.8486 -20.8486 -18.4511 -18.4511 -18.2740 -18.2740 13.9979 13.9979 14.0632 14.0632 15.6383 15.6383 16.0045 16.0045 16.0308 16.0308 23.6046 23.6046 25.1004 25.1004 k = 0.3333 0.5774 0.2328 ( 813 PWs) bands (ev): -44.9185 -44.9185 -20.8522 -20.8522 -18.4487 -18.4487 -18.2874 -18.2874 13.9707 13.9707 14.0374 14.0374 15.7590 15.7590 15.9624 15.9624 16.0156 16.0156 23.6274 23.6274 25.2129 25.2129 k = 0.3333 0.5774 0.2418 ( 813 PWs) bands (ev): -44.9163 -44.9163 -20.8558 -20.8558 -18.4461 -18.4461 -18.3007 -18.3007 13.9420 13.9420 14.0099 14.0099 15.8402 15.8402 15.9233 15.9233 16.0463 16.0463 23.6509 23.6509 25.3258 25.3258 k = 0.3333 0.5774 0.2507 ( 807 PWs) bands (ev): -44.9139 -44.9139 -20.8593 -20.8593 -18.4435 -18.4435 -18.3138 -18.3138 13.9118 13.9118 13.9807 13.9807 15.8566 15.8566 15.8871 15.8871 16.1480 16.1480 23.6749 23.6749 25.4391 25.4391 k = 0.3333 0.5774 0.2597 ( 807 PWs) bands (ev): -44.9117 -44.9117 -20.8630 -20.8630 -18.4409 -18.4409 -18.3270 -18.3270 13.8802 13.8802 13.9500 13.9500 15.8442 15.8442 15.8540 15.8540 16.2843 16.2843 23.6995 23.6995 25.5525 25.5525 k = 0.3333 0.5774 0.2686 ( 807 PWs) bands (ev): -44.9095 -44.9095 -20.8668 -20.8668 -18.4382 -18.4382 -18.3401 -18.3401 13.8474 13.8474 13.9179 13.9179 15.8237 15.8237 15.8253 15.8253 16.4326 16.4326 23.7245 23.7245 25.6660 25.6660 k = 0.3333 0.5774 0.2776 ( 807 PWs) bands (ev): -44.9074 -44.9074 -20.8706 -20.8706 -18.4357 -18.4357 -18.3530 -18.3530 13.8136 13.8136 13.8846 13.8846 15.7964 15.7964 15.8056 15.8056 16.5869 16.5869 23.7501 23.7501 25.7794 25.7794 k = 0.3333 0.5774 0.2866 ( 813 PWs) bands (ev): -44.9055 -44.9055 -20.8745 -20.8745 -18.4331 -18.4331 -18.3659 -18.3659 13.7790 13.7790 13.8503 13.8503 15.7718 15.7718 15.7869 15.7869 16.7448 16.7448 23.7762 23.7762 25.8926 25.8926 k = 0.3333 0.5774 0.2955 ( 813 PWs) bands (ev): -44.9033 -44.9033 -20.8784 -20.8784 -18.4306 -18.4306 -18.3783 -18.3783 13.7438 13.7438 13.8151 13.8151 15.7499 15.7499 15.7697 15.7697 16.9054 16.9054 23.8027 23.8027 26.0057 26.0057 k = 0.3333 0.5774 0.3045 ( 819 PWs) bands (ev): -44.9015 -44.9015 -20.8823 -20.8823 -18.4281 -18.4281 -18.3907 -18.3907 13.7082 13.7082 13.7795 13.7795 15.7305 15.7305 15.7543 15.7543 17.0679 17.0679 23.8296 23.8296 26.1185 26.1185 k = 0.3333 0.5774 0.3134 ( 819 PWs) bands (ev): -44.8994 -44.8994 -20.8862 -20.8862 -18.4256 -18.4256 -18.4026 -18.4026 13.6724 13.6724 13.7435 13.7435 15.7134 15.7134 15.7407 15.7407 17.2316 17.2316 23.8570 23.8570 26.2309 26.2309 k = 0.3333 0.5774 0.3224 ( 819 PWs) bands (ev): -44.8974 -44.8974 -20.8900 -20.8900 -18.4232 -18.4232 -18.4142 -18.4142 13.6366 13.6366 13.7074 13.7074 15.6985 15.6985 15.7288 15.7288 17.3961 17.3961 23.8847 23.8847 26.3429 26.3429 k = 0.3333 0.5774 0.3313 ( 819 PWs) bands (ev): -44.8954 -44.8954 -20.8938 -20.8938 -18.4254 -18.4254 -18.4208 -18.4208 13.6011 13.6011 13.6714 13.6714 15.6856 15.6856 15.7185 15.7185 17.5608 17.5608 23.9129 23.9129 26.4545 26.4545 k = 0.3333 0.5774 0.3403 ( 819 PWs) bands (ev): -44.8935 -44.8935 -20.8975 -20.8975 -18.4362 -18.4362 -18.4185 -18.4185 13.5661 13.5661 13.6358 13.6358 15.6744 15.6744 15.7097 15.7097 17.7250 17.7250 23.9414 23.9414 26.5657 26.5657 k = 0.3333 0.5774 0.3492 ( 825 PWs) bands (ev): -44.8918 -44.8918 -20.9013 -20.9013 -18.4467 -18.4467 -18.4163 -18.4163 13.5317 13.5317 13.6008 13.6008 15.6650 15.6650 15.7022 15.7022 17.8882 17.8882 23.9703 23.9703 26.6763 26.6763 k = 0.3333 0.5774 0.3582 ( 825 PWs) bands (ev): -44.8900 -44.8900 -20.9049 -20.9049 -18.4566 -18.4566 -18.4142 -18.4142 13.4982 13.4982 13.5666 13.5666 15.6569 15.6569 15.6960 15.6960 18.0498 18.0498 23.9995 23.9995 26.7865 26.7865 k = 0.3333 0.5774 0.3672 ( 831 PWs) bands (ev): -44.8886 -44.8886 -20.9084 -20.9084 -18.4662 -18.4662 -18.4122 -18.4122 13.4657 13.4657 13.5334 13.5334 15.6502 15.6502 15.6909 15.6909 18.2089 18.2089 24.0289 24.0289 26.8960 26.8960 k = 0.3333 0.5774 0.3761 ( 822 PWs) bands (ev): -44.8865 -44.8865 -20.9117 -20.9117 -18.4751 -18.4751 -18.4101 -18.4101 13.4344 13.4344 13.5013 13.5013 15.6446 15.6446 15.6868 15.6868 18.3650 18.3650 24.0586 24.0586 27.0050 27.0050 k = 0.3333 0.5774 0.3851 ( 822 PWs) bands (ev): -44.8850 -44.8850 -20.9149 -20.9149 -18.4836 -18.4836 -18.4082 -18.4082 13.4044 13.4044 13.4706 13.4706 15.6401 15.6401 15.6835 15.6835 18.5171 18.5171 24.0884 24.0884 27.1133 27.1133 k = 0.3333 0.5774 0.3940 ( 822 PWs) bands (ev): -44.8835 -44.8835 -20.9180 -20.9180 -18.4916 -18.4916 -18.4064 -18.4064 13.3759 13.3759 13.4413 13.4413 15.6364 15.6364 15.6810 15.6810 18.6646 18.6646 24.1183 24.1183 27.2209 27.2209 k = 0.3333 0.5774 0.4030 ( 822 PWs) bands (ev): -44.8821 -44.8821 -20.9209 -20.9209 -18.4990 -18.4990 -18.4048 -18.4048 13.3490 13.3490 13.4137 13.4137 15.6335 15.6335 15.6790 15.6790 18.8064 18.8064 24.1481 24.1481 27.3276 27.3276 k = 0.3333 0.5774 0.4119 ( 822 PWs) bands (ev): -44.8808 -44.8808 -20.9236 -20.9236 -18.5059 -18.5059 -18.4032 -18.4032 13.3239 13.3239 13.3879 13.3879 15.6312 15.6312 15.6776 15.6776 18.9418 18.9418 24.1776 24.1776 27.4334 27.4334 k = 0.3333 0.5774 0.4209 ( 822 PWs) bands (ev): -44.8796 -44.8796 -20.9262 -20.9262 -18.5123 -18.5123 -18.4018 -18.4018 13.3006 13.3006 13.3639 13.3639 15.6294 15.6294 15.6766 15.6766 19.0697 19.0697 24.2066 24.2066 27.5380 27.5380 k = 0.3333 0.5774 0.4298 ( 822 PWs) bands (ev): -44.8785 -44.8785 -20.9286 -20.9286 -18.5180 -18.5180 -18.4004 -18.4004 13.2793 13.2793 13.3419 13.3419 15.6281 15.6281 15.6760 15.6760 19.1893 19.1893 24.2349 24.2349 27.6410 27.6410 k = 0.3333 0.5774 0.4388 ( 822 PWs) bands (ev): -44.8775 -44.8775 -20.9307 -20.9307 -18.5232 -18.5232 -18.3993 -18.3993 13.2600 13.2600 13.3220 13.3220 15.6271 15.6271 15.6756 15.6756 19.2995 19.2995 24.2621 24.2621 27.7422 27.7422 k = 0.3333 0.5774 0.4477 ( 822 PWs) bands (ev): -44.8766 -44.8766 -20.9326 -20.9326 -18.5278 -18.5278 -18.3982 -18.3982 13.2428 13.2428 13.3043 13.3043 15.6264 15.6264 15.6755 15.6755 19.3994 19.3994 24.2877 24.2877 27.8407 27.8407 k = 0.3333 0.5774 0.4567 ( 822 PWs) bands (ev): -44.8758 -44.8758 -20.9343 -20.9343 -18.5318 -18.5318 -18.3973 -18.3973 13.2277 13.2277 13.2887 13.2887 15.6259 15.6259 15.6754 15.6754 19.4881 19.4881 24.3115 24.3115 27.9356 27.9356 k = 0.3333 0.5774 0.4657 ( 816 PWs) bands (ev): -44.8749 -44.8749 -20.9356 -20.9356 -18.5351 -18.5351 -18.3964 -18.3964 13.2149 13.2149 13.2755 13.2755 15.6256 15.6256 15.6755 15.6755 19.5649 19.5649 24.3327 24.3327 28.0256 28.0256 k = 0.3333 0.5774 0.4746 ( 816 PWs) bands (ev): -44.8744 -44.8744 -20.9368 -20.9368 -18.5379 -18.5379 -18.3958 -18.3958 13.2043 13.2043 13.2646 13.2646 15.6255 15.6255 15.6756 15.6756 19.6288 19.6288 24.3511 24.3511 28.1084 28.1084 k = 0.3333 0.5774 0.4836 ( 816 PWs) bands (ev): -44.8740 -44.8740 -20.9378 -20.9378 -18.5400 -18.5400 -18.3953 -18.3953 13.1961 13.1961 13.2561 13.2561 15.6253 15.6253 15.6757 15.6757 19.6792 19.6792 24.3659 24.3659 28.1808 28.1808 k = 0.3333 0.5774 0.4925 ( 810 PWs) bands (ev): -44.8734 -44.8734 -20.9383 -20.9383 -18.5415 -18.5415 -18.3949 -18.3949 13.1902 13.1902 13.2500 13.2500 15.6253 15.6253 15.6758 15.6758 19.7157 19.7157 24.3769 24.3769 28.2387 28.2387 k = 0.3333 0.5774 0.5015 ( 810 PWs) bands (ev): -44.8732 -44.8732 -20.9387 -20.9387 -18.5424 -18.5424 -18.3947 -18.3947 13.1866 13.1866 13.2463 13.2463 15.6253 15.6253 15.6759 15.6759 19.7377 19.7377 24.3837 24.3837 28.2766 28.2766 k = 0.3333 0.5774 0.5104 ( 810 PWs) bands (ev): -44.8732 -44.8732 -20.9389 -20.9389 -18.5427 -18.5427 -18.3946 -18.3946 13.1854 13.1854 13.2451 13.2451 15.6253 15.6253 15.6759 15.6759 19.7451 19.7451 24.3860 24.3860 28.2899 28.2899 Writing output data file Mo.save init_run : 0.07s CPU 0.18s WALL ( 1 calls) electrons : 28.65s CPU 29.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.01s WALL ( 1 calls) Called by electrons: c_bands : 28.64s CPU 29.69s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 530 calls) cegterg : 25.92s CPU 26.43s WALL ( 531 calls) Called by sum_band: Called by *egterg: h_psi : 10.03s CPU 11.21s WALL ( 6550 calls) s_psi : 0.34s CPU 0.36s WALL ( 6550 calls) g_psi : 0.01s CPU 0.02s WALL ( 5489 calls) cdiaghg : 15.27s CPU 14.84s WALL ( 6019 calls) cegterg:over : 0.74s CPU 0.76s WALL ( 5489 calls) cegterg:upda : 0.63s CPU 0.59s WALL ( 5489 calls) cegterg:last : 0.27s CPU 0.27s WALL ( 1062 calls) cdiaghg:chol : 0.81s CPU 0.77s WALL ( 6019 calls) cdiaghg:inve : 0.18s CPU 0.15s WALL ( 6019 calls) cdiaghg:para : 1.05s CPU 1.04s WALL ( 12038 calls) Called by h_psi: h_psi:vloc : 9.23s CPU 10.29s WALL ( 6550 calls) h_psi:vnl : 0.79s CPU 0.89s WALL ( 6550 calls) add_vuspsi : 0.44s CPU 0.48s WALL ( 6550 calls) General routines calbec : 0.34s CPU 0.40s WALL ( 6550 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 8.82s CPU 9.78s WALL ( 334128 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.16s WALL ( 1060 calls) Parallel routines fft_scatter : 4.96s CPU 5.59s WALL ( 334151 calls) PWSCF : 35.85s CPU 53.01s WALL This run was terminated on: 20:52:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=