Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:11:38 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./C.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 13 7 2 657 231 42 Max 14 8 3 666 243 49 Sum 499 253 85 23863 8511 1625 bravais-lattice index = 14 lattice parameter (alat) = 4.6563 a.u. unit-cell volume = 238.1200 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.656285 celldm(2)= 1.000000 celldm(3)= 2.723620 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 2.723620 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.367158 ) PseudoPot. # 1 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential C 4.00 12.01070 C( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 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 = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 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 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 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 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 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 inv. 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 inv. 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 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 485 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020619 k( 2) = ( 0.0067568 0.0039010 -0.0000000), wk = 0.0020619 k( 3) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0020619 k( 4) = ( 0.0202703 0.0117030 -0.0000000), wk = 0.0020619 k( 5) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0020619 k( 6) = ( 0.0337838 0.0195051 -0.0000000), wk = 0.0020619 k( 7) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0020619 k( 8) = ( 0.0472973 0.0273071 -0.0000000), wk = 0.0020619 k( 9) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0020619 k( 10) = ( 0.0608108 0.0351091 -0.0000000), wk = 0.0020619 k( 11) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0020619 k( 12) = ( 0.0743243 0.0429112 -0.0000000), wk = 0.0020619 k( 13) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0020619 k( 14) = ( 0.0878378 0.0507132 -0.0000000), wk = 0.0020619 k( 15) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0020619 k( 16) = ( 0.1013514 0.0585152 -0.0000000), wk = 0.0020619 k( 17) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0020619 k( 18) = ( 0.1148649 0.0663173 -0.0000000), wk = 0.0020619 k( 19) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0020619 k( 20) = ( 0.1283784 0.0741193 -0.0000000), wk = 0.0020619 k( 21) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0020619 k( 22) = ( 0.1418919 0.0819213 -0.0000000), wk = 0.0020619 k( 23) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0020619 k( 24) = ( 0.1554054 0.0897234 -0.0000000), wk = 0.0020619 k( 25) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0020619 k( 26) = ( 0.1689189 0.0975254 -0.0000000), wk = 0.0020619 k( 27) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0020619 k( 28) = ( 0.1824324 0.1053274 -0.0000000), wk = 0.0020619 k( 29) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0020619 k( 30) = ( 0.1959460 0.1131294 -0.0000000), wk = 0.0020619 k( 31) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0020619 k( 32) = ( 0.2094595 0.1209315 -0.0000000), wk = 0.0020619 k( 33) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0020619 k( 34) = ( 0.2229730 0.1287335 -0.0000000), wk = 0.0020619 k( 35) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0020619 k( 36) = ( 0.2364865 0.1365355 -0.0000000), wk = 0.0020619 k( 37) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0020619 k( 38) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0020619 k( 39) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0020619 k( 40) = ( 0.2635135 0.1521396 -0.0000000), wk = 0.0020619 k( 41) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0020619 k( 42) = ( 0.2770270 0.1599416 -0.0000000), wk = 0.0020619 k( 43) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0020619 k( 44) = ( 0.2905405 0.1677437 -0.0000000), wk = 0.0020619 k( 45) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0020619 k( 46) = ( 0.3040541 0.1755457 -0.0000000), wk = 0.0020619 k( 47) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0020619 k( 48) = ( 0.3175676 0.1833477 -0.0000000), wk = 0.0020619 k( 49) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0020619 k( 50) = ( 0.3310811 0.1911498 -0.0000000), wk = 0.0020619 k( 51) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0020619 k( 52) = ( 0.3445946 0.1989518 -0.0000000), wk = 0.0020619 k( 53) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0020619 k( 54) = ( 0.3581081 0.2067538 -0.0000000), wk = 0.0020619 k( 55) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0020619 k( 56) = ( 0.3716216 0.2145558 -0.0000000), wk = 0.0020619 k( 57) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0020619 k( 58) = ( 0.3851351 0.2223579 -0.0000000), wk = 0.0020619 k( 59) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0020619 k( 60) = ( 0.3986486 0.2301599 -0.0000000), wk = 0.0020619 k( 61) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0020619 k( 62) = ( 0.4121622 0.2379619 -0.0000000), wk = 0.0020619 k( 63) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0020619 k( 64) = ( 0.4256757 0.2457640 -0.0000000), wk = 0.0020619 k( 65) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0020619 k( 66) = ( 0.4391892 0.2535660 -0.0000000), wk = 0.0020619 k( 67) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0020619 k( 68) = ( 0.4527027 0.2613680 -0.0000000), wk = 0.0020619 k( 69) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0020619 k( 70) = ( 0.4662162 0.2691701 -0.0000000), wk = 0.0020619 k( 71) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0020619 k( 72) = ( 0.4797297 0.2769721 -0.0000000), wk = 0.0020619 k( 73) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0020619 k( 74) = ( 0.4932432 0.2847741 -0.0000000), wk = 0.0020619 k( 75) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020619 k( 76) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020619 k( 77) = ( 0.4961240 0.2953885 -0.0000000), wk = 0.0020619 k( 78) = ( 0.4922481 0.3021019 -0.0000000), wk = 0.0020619 k( 79) = ( 0.4883721 0.3088153 -0.0000000), wk = 0.0020619 k( 80) = ( 0.4844961 0.3155286 -0.0000000), wk = 0.0020619 k( 81) = ( 0.4806202 0.3222420 -0.0000000), wk = 0.0020619 k( 82) = ( 0.4767442 0.3289554 -0.0000000), wk = 0.0020619 k( 83) = ( 0.4728682 0.3356688 -0.0000000), wk = 0.0020619 k( 84) = ( 0.4689922 0.3423821 -0.0000000), wk = 0.0020619 k( 85) = ( 0.4651163 0.3490955 -0.0000000), wk = 0.0020619 k( 86) = ( 0.4612403 0.3558089 -0.0000000), wk = 0.0020619 k( 87) = ( 0.4573643 0.3625223 -0.0000000), wk = 0.0020619 k( 88) = ( 0.4534884 0.3692356 -0.0000000), wk = 0.0020619 k( 89) = ( 0.4496124 0.3759490 -0.0000000), wk = 0.0020619 k( 90) = ( 0.4457364 0.3826624 -0.0000000), wk = 0.0020619 k( 91) = ( 0.4418605 0.3893758 -0.0000000), wk = 0.0020619 k( 92) = ( 0.4379845 0.3960891 -0.0000000), wk = 0.0020619 k( 93) = ( 0.4341085 0.4028025 -0.0000000), wk = 0.0020619 k( 94) = ( 0.4302326 0.4095159 -0.0000000), wk = 0.0020619 k( 95) = ( 0.4263566 0.4162293 -0.0000000), wk = 0.0020619 k( 96) = ( 0.4224806 0.4229426 -0.0000000), wk = 0.0020619 k( 97) = ( 0.4186047 0.4296560 -0.0000000), wk = 0.0020619 k( 98) = ( 0.4147287 0.4363694 -0.0000000), wk = 0.0020619 k( 99) = ( 0.4108527 0.4430828 -0.0000000), wk = 0.0020619 k( 100) = ( 0.4069767 0.4497961 -0.0000000), wk = 0.0020619 k( 101) = ( 0.4031008 0.4565095 -0.0000000), wk = 0.0020619 k( 102) = ( 0.3992248 0.4632229 -0.0000000), wk = 0.0020619 k( 103) = ( 0.3953488 0.4699363 -0.0000000), wk = 0.0020619 k( 104) = ( 0.3914729 0.4766496 -0.0000000), wk = 0.0020619 k( 105) = ( 0.3875969 0.4833630 -0.0000000), wk = 0.0020619 k( 106) = ( 0.3837209 0.4900764 -0.0000000), wk = 0.0020619 k( 107) = ( 0.3798450 0.4967898 -0.0000000), wk = 0.0020619 k( 108) = ( 0.3759690 0.5035031 -0.0000000), wk = 0.0020619 k( 109) = ( 0.3720930 0.5102165 -0.0000000), wk = 0.0020619 k( 110) = ( 0.3682170 0.5169299 -0.0000000), wk = 0.0020619 k( 111) = ( 0.3643411 0.5236433 -0.0000000), wk = 0.0020619 k( 112) = ( 0.3604651 0.5303566 -0.0000000), wk = 0.0020619 k( 113) = ( 0.3565892 0.5370700 -0.0000000), wk = 0.0020619 k( 114) = ( 0.3527132 0.5437834 -0.0000000), wk = 0.0020619 k( 115) = ( 0.3488372 0.5504968 -0.0000000), wk = 0.0020619 k( 116) = ( 0.3449612 0.5572101 -0.0000000), wk = 0.0020619 k( 117) = ( 0.3410853 0.5639235 -0.0000000), wk = 0.0020619 k( 118) = ( 0.3372093 0.5706369 -0.0000000), wk = 0.0020619 k( 119) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020619 k( 120) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020619 k( 121) = ( 0.3294118 0.5705579 -0.0000000), wk = 0.0020619 k( 122) = ( 0.3254902 0.5637656 -0.0000000), wk = 0.0020619 k( 123) = ( 0.3215686 0.5569732 -0.0000000), wk = 0.0020619 k( 124) = ( 0.3176471 0.5501808 -0.0000000), wk = 0.0020619 k( 125) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0020619 k( 126) = ( 0.3098039 0.5365961 -0.0000000), wk = 0.0020619 k( 127) = ( 0.3058824 0.5298038 -0.0000000), wk = 0.0020619 k( 128) = ( 0.3019608 0.5230114 -0.0000000), wk = 0.0020619 k( 129) = ( 0.2980392 0.5162191 -0.0000000), wk = 0.0020619 k( 130) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0020619 k( 131) = ( 0.2901961 0.5026344 -0.0000000), wk = 0.0020619 k( 132) = ( 0.2862745 0.4958420 -0.0000000), wk = 0.0020619 k( 133) = ( 0.2823529 0.4890496 -0.0000000), wk = 0.0020619 k( 134) = ( 0.2784314 0.4822573 -0.0000000), wk = 0.0020619 k( 135) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0020619 k( 136) = ( 0.2705882 0.4686726 -0.0000000), wk = 0.0020619 k( 137) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0020619 k( 138) = ( 0.2627451 0.4550879 -0.0000000), wk = 0.0020619 k( 139) = ( 0.2588235 0.4482955 -0.0000000), wk = 0.0020619 k( 140) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0020619 k( 141) = ( 0.2509804 0.4347108 -0.0000000), wk = 0.0020619 k( 142) = ( 0.2470588 0.4279184 -0.0000000), wk = 0.0020619 k( 143) = ( 0.2431372 0.4211261 -0.0000000), wk = 0.0020619 k( 144) = ( 0.2392157 0.4143337 -0.0000000), wk = 0.0020619 k( 145) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0020619 k( 146) = ( 0.2313726 0.4007490 -0.0000000), wk = 0.0020619 k( 147) = ( 0.2274510 0.3939567 -0.0000000), wk = 0.0020619 k( 148) = ( 0.2235294 0.3871643 -0.0000000), wk = 0.0020619 k( 149) = ( 0.2196078 0.3803719 -0.0000000), wk = 0.0020619 k( 150) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0020619 k( 151) = ( 0.2117647 0.3667872 -0.0000000), wk = 0.0020619 k( 152) = ( 0.2078431 0.3599949 -0.0000000), wk = 0.0020619 k( 153) = ( 0.2039216 0.3532025 -0.0000000), wk = 0.0020619 k( 154) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0020619 k( 155) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0020619 k( 156) = ( 0.1921569 0.3328254 -0.0000000), wk = 0.0020619 k( 157) = ( 0.1882353 0.3260331 -0.0000000), wk = 0.0020619 k( 158) = ( 0.1843137 0.3192407 -0.0000000), wk = 0.0020619 k( 159) = ( 0.1803922 0.3124484 -0.0000000), wk = 0.0020619 k( 160) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0020619 k( 161) = ( 0.1725490 0.2988637 -0.0000000), wk = 0.0020619 k( 162) = ( 0.1686275 0.2920713 -0.0000000), wk = 0.0020619 k( 163) = ( 0.1647059 0.2852790 -0.0000000), wk = 0.0020619 k( 164) = ( 0.1607843 0.2784866 -0.0000000), wk = 0.0020619 k( 165) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0020619 k( 166) = ( 0.1529412 0.2649019 -0.0000000), wk = 0.0020619 k( 167) = ( 0.1490196 0.2581095 -0.0000000), wk = 0.0020619 k( 168) = ( 0.1450980 0.2513172 -0.0000000), wk = 0.0020619 k( 169) = ( 0.1411765 0.2445248 -0.0000000), wk = 0.0020619 k( 170) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0020619 k( 171) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0020619 k( 172) = ( 0.1294118 0.2241477 -0.0000000), wk = 0.0020619 k( 173) = ( 0.1254902 0.2173554 -0.0000000), wk = 0.0020619 k( 174) = ( 0.1215686 0.2105630 -0.0000000), wk = 0.0020619 k( 175) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0020619 k( 176) = ( 0.1137255 0.1969783 -0.0000000), wk = 0.0020619 k( 177) = ( 0.1098039 0.1901860 -0.0000000), wk = 0.0020619 k( 178) = ( 0.1058824 0.1833936 -0.0000000), wk = 0.0020619 k( 179) = ( 0.1019608 0.1766013 -0.0000000), wk = 0.0020619 k( 180) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0020619 k( 181) = ( 0.0941176 0.1630166 -0.0000000), wk = 0.0020619 k( 182) = ( 0.0901961 0.1562242 -0.0000000), wk = 0.0020619 k( 183) = ( 0.0862745 0.1494318 -0.0000000), wk = 0.0020619 k( 184) = ( 0.0823529 0.1426395 -0.0000000), wk = 0.0020619 k( 185) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0020619 k( 186) = ( 0.0745098 0.1290548 -0.0000000), wk = 0.0020619 k( 187) = ( 0.0705882 0.1222624 -0.0000000), wk = 0.0020619 k( 188) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0020619 k( 189) = ( 0.0627451 0.1086777 -0.0000000), wk = 0.0020619 k( 190) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0020619 k( 191) = ( 0.0549020 0.0950930 -0.0000000), wk = 0.0020619 k( 192) = ( 0.0509804 0.0883006 -0.0000000), wk = 0.0020619 k( 193) = ( 0.0470588 0.0815083 -0.0000000), wk = 0.0020619 k( 194) = ( 0.0431373 0.0747159 -0.0000000), wk = 0.0020619 k( 195) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0020619 k( 196) = ( 0.0352941 0.0611312 -0.0000000), wk = 0.0020619 k( 197) = ( 0.0313725 0.0543389 -0.0000000), wk = 0.0020619 k( 198) = ( 0.0274510 0.0475465 -0.0000000), wk = 0.0020619 k( 199) = ( 0.0235294 0.0407541 -0.0000000), wk = 0.0020619 k( 200) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0020619 k( 201) = ( 0.0156863 0.0271694 -0.0000000), wk = 0.0020619 k( 202) = ( 0.0117647 0.0203771 -0.0000000), wk = 0.0020619 k( 203) = ( 0.0078431 0.0135847 -0.0000000), wk = 0.0020619 k( 204) = ( 0.0039216 0.0067924 -0.0000000), wk = 0.0020619 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020619 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020619 k( 207) = ( 0.0000000 0.0000000 0.0076491), wk = 0.0020619 k( 208) = ( 0.0000000 0.0000000 0.0152983), wk = 0.0020619 k( 209) = ( 0.0000000 0.0000000 0.0229474), wk = 0.0020619 k( 210) = ( 0.0000000 0.0000000 0.0305965), wk = 0.0020619 k( 211) = ( 0.0000000 0.0000000 0.0382457), wk = 0.0020619 k( 212) = ( 0.0000000 0.0000000 0.0458948), wk = 0.0020619 k( 213) = ( 0.0000000 0.0000000 0.0535439), wk = 0.0020619 k( 214) = ( 0.0000000 0.0000000 0.0611931), wk = 0.0020619 k( 215) = ( 0.0000000 0.0000000 0.0688422), wk = 0.0020619 k( 216) = ( 0.0000000 0.0000000 0.0764913), wk = 0.0020619 k( 217) = ( 0.0000000 0.0000000 0.0841405), wk = 0.0020619 k( 218) = ( 0.0000000 0.0000000 0.0917896), wk = 0.0020619 k( 219) = ( 0.0000000 0.0000000 0.0994387), wk = 0.0020619 k( 220) = ( 0.0000000 0.0000000 0.1070879), wk = 0.0020619 k( 221) = ( 0.0000000 0.0000000 0.1147370), wk = 0.0020619 k( 222) = ( 0.0000000 0.0000000 0.1223861), wk = 0.0020619 k( 223) = ( 0.0000000 0.0000000 0.1300353), wk = 0.0020619 k( 224) = ( 0.0000000 0.0000000 0.1376844), wk = 0.0020619 k( 225) = ( 0.0000000 0.0000000 0.1453335), wk = 0.0020619 k( 226) = ( 0.0000000 0.0000000 0.1529827), wk = 0.0020619 k( 227) = ( 0.0000000 0.0000000 0.1606318), wk = 0.0020619 k( 228) = ( 0.0000000 0.0000000 0.1682809), wk = 0.0020619 k( 229) = ( 0.0000000 0.0000000 0.1759301), wk = 0.0020619 k( 230) = ( 0.0000000 0.0000000 0.1835792), wk = 0.0020619 k( 231) = ( 0.0000000 0.0000000 0.1835792), wk = 0.0020619 k( 232) = ( 0.0067568 0.0039010 0.1835792), wk = 0.0020619 k( 233) = ( 0.0135135 0.0078020 0.1835792), wk = 0.0020619 k( 234) = ( 0.0202703 0.0117030 0.1835792), wk = 0.0020619 k( 235) = ( 0.0270270 0.0156041 0.1835792), wk = 0.0020619 k( 236) = ( 0.0337838 0.0195051 0.1835792), wk = 0.0020619 k( 237) = ( 0.0405405 0.0234061 0.1835792), wk = 0.0020619 k( 238) = ( 0.0472973 0.0273071 0.1835792), wk = 0.0020619 k( 239) = ( 0.0540540 0.0312081 0.1835792), wk = 0.0020619 k( 240) = ( 0.0608108 0.0351091 0.1835792), wk = 0.0020619 k( 241) = ( 0.0675676 0.0390102 0.1835792), wk = 0.0020619 k( 242) = ( 0.0743243 0.0429112 0.1835792), wk = 0.0020619 k( 243) = ( 0.0810811 0.0468122 0.1835792), wk = 0.0020619 k( 244) = ( 0.0878378 0.0507132 0.1835792), wk = 0.0020619 k( 245) = ( 0.0945946 0.0546142 0.1835792), wk = 0.0020619 k( 246) = ( 0.1013514 0.0585152 0.1835792), wk = 0.0020619 k( 247) = ( 0.1081081 0.0624162 0.1835792), wk = 0.0020619 k( 248) = ( 0.1148649 0.0663173 0.1835792), wk = 0.0020619 k( 249) = ( 0.1216216 0.0702183 0.1835792), wk = 0.0020619 k( 250) = ( 0.1283784 0.0741193 0.1835792), wk = 0.0020619 k( 251) = ( 0.1351351 0.0780203 0.1835792), wk = 0.0020619 k( 252) = ( 0.1418919 0.0819213 0.1835792), wk = 0.0020619 k( 253) = ( 0.1486486 0.0858223 0.1835792), wk = 0.0020619 k( 254) = ( 0.1554054 0.0897234 0.1835792), wk = 0.0020619 k( 255) = ( 0.1621622 0.0936244 0.1835792), wk = 0.0020619 k( 256) = ( 0.1689189 0.0975254 0.1835792), wk = 0.0020619 k( 257) = ( 0.1756757 0.1014264 0.1835792), wk = 0.0020619 k( 258) = ( 0.1824324 0.1053274 0.1835792), wk = 0.0020619 k( 259) = ( 0.1891892 0.1092284 0.1835792), wk = 0.0020619 k( 260) = ( 0.1959460 0.1131294 0.1835792), wk = 0.0020619 k( 261) = ( 0.2027027 0.1170305 0.1835792), wk = 0.0020619 k( 262) = ( 0.2094595 0.1209315 0.1835792), wk = 0.0020619 k( 263) = ( 0.2162162 0.1248325 0.1835792), wk = 0.0020619 k( 264) = ( 0.2229730 0.1287335 0.1835792), wk = 0.0020619 k( 265) = ( 0.2297297 0.1326345 0.1835792), wk = 0.0020619 k( 266) = ( 0.2364865 0.1365355 0.1835792), wk = 0.0020619 k( 267) = ( 0.2432432 0.1404366 0.1835792), wk = 0.0020619 k( 268) = ( 0.2500000 0.1443376 0.1835792), wk = 0.0020619 k( 269) = ( 0.2567568 0.1482386 0.1835792), wk = 0.0020619 k( 270) = ( 0.2635135 0.1521396 0.1835792), wk = 0.0020619 k( 271) = ( 0.2702703 0.1560406 0.1835792), wk = 0.0020619 k( 272) = ( 0.2770270 0.1599416 0.1835792), wk = 0.0020619 k( 273) = ( 0.2837838 0.1638426 0.1835792), wk = 0.0020619 k( 274) = ( 0.2905405 0.1677437 0.1835792), wk = 0.0020619 k( 275) = ( 0.2972973 0.1716447 0.1835792), wk = 0.0020619 k( 276) = ( 0.3040541 0.1755457 0.1835792), wk = 0.0020619 k( 277) = ( 0.3108108 0.1794467 0.1835792), wk = 0.0020619 k( 278) = ( 0.3175676 0.1833477 0.1835792), wk = 0.0020619 k( 279) = ( 0.3243243 0.1872487 0.1835792), wk = 0.0020619 k( 280) = ( 0.3310811 0.1911498 0.1835792), wk = 0.0020619 k( 281) = ( 0.3378378 0.1950508 0.1835792), wk = 0.0020619 k( 282) = ( 0.3445946 0.1989518 0.1835792), wk = 0.0020619 k( 283) = ( 0.3513514 0.2028528 0.1835792), wk = 0.0020619 k( 284) = ( 0.3581081 0.2067538 0.1835792), wk = 0.0020619 k( 285) = ( 0.3648649 0.2106548 0.1835792), wk = 0.0020619 k( 286) = ( 0.3716216 0.2145558 0.1835792), wk = 0.0020619 k( 287) = ( 0.3783784 0.2184569 0.1835792), wk = 0.0020619 k( 288) = ( 0.3851351 0.2223579 0.1835792), wk = 0.0020619 k( 289) = ( 0.3918919 0.2262589 0.1835792), wk = 0.0020619 k( 290) = ( 0.3986486 0.2301599 0.1835792), wk = 0.0020619 k( 291) = ( 0.4054054 0.2340609 0.1835792), wk = 0.0020619 k( 292) = ( 0.4121622 0.2379619 0.1835792), wk = 0.0020619 k( 293) = ( 0.4189189 0.2418630 0.1835792), wk = 0.0020619 k( 294) = ( 0.4256757 0.2457640 0.1835792), wk = 0.0020619 k( 295) = ( 0.4324324 0.2496650 0.1835792), wk = 0.0020619 k( 296) = ( 0.4391892 0.2535660 0.1835792), wk = 0.0020619 k( 297) = ( 0.4459459 0.2574670 0.1835792), wk = 0.0020619 k( 298) = ( 0.4527027 0.2613680 0.1835792), wk = 0.0020619 k( 299) = ( 0.4594595 0.2652690 0.1835792), wk = 0.0020619 k( 300) = ( 0.4662162 0.2691701 0.1835792), wk = 0.0020619 k( 301) = ( 0.4729730 0.2730711 0.1835792), wk = 0.0020619 k( 302) = ( 0.4797297 0.2769721 0.1835792), wk = 0.0020619 k( 303) = ( 0.4864865 0.2808731 0.1835792), wk = 0.0020619 k( 304) = ( 0.4932432 0.2847741 0.1835792), wk = 0.0020619 k( 305) = ( 0.5000000 0.2886751 0.1835792), wk = 0.0020619 k( 306) = ( 0.5000000 0.2886751 0.1835792), wk = 0.0020619 k( 307) = ( 0.4961240 0.2953885 0.1835792), wk = 0.0020619 k( 308) = ( 0.4922481 0.3021019 0.1835792), wk = 0.0020619 k( 309) = ( 0.4883721 0.3088153 0.1835792), wk = 0.0020619 k( 310) = ( 0.4844961 0.3155286 0.1835792), wk = 0.0020619 k( 311) = ( 0.4806202 0.3222420 0.1835792), wk = 0.0020619 k( 312) = ( 0.4767442 0.3289554 0.1835792), wk = 0.0020619 k( 313) = ( 0.4728682 0.3356688 0.1835792), wk = 0.0020619 k( 314) = ( 0.4689922 0.3423821 0.1835792), wk = 0.0020619 k( 315) = ( 0.4651163 0.3490955 0.1835792), wk = 0.0020619 k( 316) = ( 0.4612403 0.3558089 0.1835792), wk = 0.0020619 k( 317) = ( 0.4573643 0.3625223 0.1835792), wk = 0.0020619 k( 318) = ( 0.4534884 0.3692356 0.1835792), wk = 0.0020619 k( 319) = ( 0.4496124 0.3759490 0.1835792), wk = 0.0020619 k( 320) = ( 0.4457364 0.3826624 0.1835792), wk = 0.0020619 k( 321) = ( 0.4418605 0.3893758 0.1835792), wk = 0.0020619 k( 322) = ( 0.4379845 0.3960891 0.1835792), wk = 0.0020619 k( 323) = ( 0.4341085 0.4028025 0.1835792), wk = 0.0020619 k( 324) = ( 0.4302326 0.4095159 0.1835792), wk = 0.0020619 k( 325) = ( 0.4263566 0.4162293 0.1835792), wk = 0.0020619 k( 326) = ( 0.4224806 0.4229426 0.1835792), wk = 0.0020619 k( 327) = ( 0.4186047 0.4296560 0.1835792), wk = 0.0020619 k( 328) = ( 0.4147287 0.4363694 0.1835792), wk = 0.0020619 k( 329) = ( 0.4108527 0.4430828 0.1835792), wk = 0.0020619 k( 330) = ( 0.4069767 0.4497961 0.1835792), wk = 0.0020619 k( 331) = ( 0.4031008 0.4565095 0.1835792), wk = 0.0020619 k( 332) = ( 0.3992248 0.4632229 0.1835792), wk = 0.0020619 k( 333) = ( 0.3953488 0.4699363 0.1835792), wk = 0.0020619 k( 334) = ( 0.3914729 0.4766496 0.1835792), wk = 0.0020619 k( 335) = ( 0.3875969 0.4833630 0.1835792), wk = 0.0020619 k( 336) = ( 0.3837209 0.4900764 0.1835792), wk = 0.0020619 k( 337) = ( 0.3798450 0.4967898 0.1835792), wk = 0.0020619 k( 338) = ( 0.3759690 0.5035031 0.1835792), wk = 0.0020619 k( 339) = ( 0.3720930 0.5102165 0.1835792), wk = 0.0020619 k( 340) = ( 0.3682170 0.5169299 0.1835792), wk = 0.0020619 k( 341) = ( 0.3643411 0.5236433 0.1835792), wk = 0.0020619 k( 342) = ( 0.3604651 0.5303566 0.1835792), wk = 0.0020619 k( 343) = ( 0.3565892 0.5370700 0.1835792), wk = 0.0020619 k( 344) = ( 0.3527132 0.5437834 0.1835792), wk = 0.0020619 k( 345) = ( 0.3488372 0.5504968 0.1835792), wk = 0.0020619 k( 346) = ( 0.3449612 0.5572101 0.1835792), wk = 0.0020619 k( 347) = ( 0.3410853 0.5639235 0.1835792), wk = 0.0020619 k( 348) = ( 0.3372093 0.5706369 0.1835792), wk = 0.0020619 k( 349) = ( 0.3333333 0.5773503 0.1835792), wk = 0.0020619 k( 350) = ( 0.3333333 0.5773503 0.1835792), wk = 0.0020619 k( 351) = ( 0.3294118 0.5705579 0.1835792), wk = 0.0020619 k( 352) = ( 0.3254902 0.5637656 0.1835792), wk = 0.0020619 k( 353) = ( 0.3215686 0.5569732 0.1835792), wk = 0.0020619 k( 354) = ( 0.3176471 0.5501808 0.1835792), wk = 0.0020619 k( 355) = ( 0.3137255 0.5433885 0.1835792), wk = 0.0020619 k( 356) = ( 0.3098039 0.5365961 0.1835792), wk = 0.0020619 k( 357) = ( 0.3058824 0.5298038 0.1835792), wk = 0.0020619 k( 358) = ( 0.3019608 0.5230114 0.1835792), wk = 0.0020619 k( 359) = ( 0.2980392 0.5162191 0.1835792), wk = 0.0020619 k( 360) = ( 0.2941177 0.5094267 0.1835792), wk = 0.0020619 k( 361) = ( 0.2901961 0.5026344 0.1835792), wk = 0.0020619 k( 362) = ( 0.2862745 0.4958420 0.1835792), wk = 0.0020619 k( 363) = ( 0.2823529 0.4890496 0.1835792), wk = 0.0020619 k( 364) = ( 0.2784314 0.4822573 0.1835792), wk = 0.0020619 k( 365) = ( 0.2745098 0.4754649 0.1835792), wk = 0.0020619 k( 366) = ( 0.2705882 0.4686726 0.1835792), wk = 0.0020619 k( 367) = ( 0.2666667 0.4618802 0.1835792), wk = 0.0020619 k( 368) = ( 0.2627451 0.4550879 0.1835792), wk = 0.0020619 k( 369) = ( 0.2588235 0.4482955 0.1835792), wk = 0.0020619 k( 370) = ( 0.2549020 0.4415031 0.1835792), wk = 0.0020619 k( 371) = ( 0.2509804 0.4347108 0.1835792), wk = 0.0020619 k( 372) = ( 0.2470588 0.4279184 0.1835792), wk = 0.0020619 k( 373) = ( 0.2431372 0.4211261 0.1835792), wk = 0.0020619 k( 374) = ( 0.2392157 0.4143337 0.1835792), wk = 0.0020619 k( 375) = ( 0.2352941 0.4075414 0.1835792), wk = 0.0020619 k( 376) = ( 0.2313726 0.4007490 0.1835792), wk = 0.0020619 k( 377) = ( 0.2274510 0.3939567 0.1835792), wk = 0.0020619 k( 378) = ( 0.2235294 0.3871643 0.1835792), wk = 0.0020619 k( 379) = ( 0.2196078 0.3803719 0.1835792), wk = 0.0020619 k( 380) = ( 0.2156863 0.3735796 0.1835792), wk = 0.0020619 k( 381) = ( 0.2117647 0.3667872 0.1835792), wk = 0.0020619 k( 382) = ( 0.2078431 0.3599949 0.1835792), wk = 0.0020619 k( 383) = ( 0.2039216 0.3532025 0.1835792), wk = 0.0020619 k( 384) = ( 0.2000000 0.3464102 0.1835792), wk = 0.0020619 k( 385) = ( 0.1960784 0.3396178 0.1835792), wk = 0.0020619 k( 386) = ( 0.1921569 0.3328254 0.1835792), wk = 0.0020619 k( 387) = ( 0.1882353 0.3260331 0.1835792), wk = 0.0020619 k( 388) = ( 0.1843137 0.3192407 0.1835792), wk = 0.0020619 k( 389) = ( 0.1803922 0.3124484 0.1835792), wk = 0.0020619 k( 390) = ( 0.1764706 0.3056560 0.1835792), wk = 0.0020619 k( 391) = ( 0.1725490 0.2988637 0.1835792), wk = 0.0020619 k( 392) = ( 0.1686275 0.2920713 0.1835792), wk = 0.0020619 k( 393) = ( 0.1647059 0.2852790 0.1835792), wk = 0.0020619 k( 394) = ( 0.1607843 0.2784866 0.1835792), wk = 0.0020619 k( 395) = ( 0.1568627 0.2716943 0.1835792), wk = 0.0020619 k( 396) = ( 0.1529412 0.2649019 0.1835792), wk = 0.0020619 k( 397) = ( 0.1490196 0.2581095 0.1835792), wk = 0.0020619 k( 398) = ( 0.1450980 0.2513172 0.1835792), wk = 0.0020619 k( 399) = ( 0.1411765 0.2445248 0.1835792), wk = 0.0020619 k( 400) = ( 0.1372549 0.2377325 0.1835792), wk = 0.0020619 k( 401) = ( 0.1333333 0.2309401 0.1835792), wk = 0.0020619 k( 402) = ( 0.1294118 0.2241477 0.1835792), wk = 0.0020619 k( 403) = ( 0.1254902 0.2173554 0.1835792), wk = 0.0020619 k( 404) = ( 0.1215686 0.2105630 0.1835792), wk = 0.0020619 k( 405) = ( 0.1176471 0.2037707 0.1835792), wk = 0.0020619 k( 406) = ( 0.1137255 0.1969783 0.1835792), wk = 0.0020619 k( 407) = ( 0.1098039 0.1901860 0.1835792), wk = 0.0020619 k( 408) = ( 0.1058824 0.1833936 0.1835792), wk = 0.0020619 k( 409) = ( 0.1019608 0.1766013 0.1835792), wk = 0.0020619 k( 410) = ( 0.0980392 0.1698089 0.1835792), wk = 0.0020619 k( 411) = ( 0.0941176 0.1630166 0.1835792), wk = 0.0020619 k( 412) = ( 0.0901961 0.1562242 0.1835792), wk = 0.0020619 k( 413) = ( 0.0862745 0.1494318 0.1835792), wk = 0.0020619 k( 414) = ( 0.0823529 0.1426395 0.1835792), wk = 0.0020619 k( 415) = ( 0.0784314 0.1358471 0.1835792), wk = 0.0020619 k( 416) = ( 0.0745098 0.1290548 0.1835792), wk = 0.0020619 k( 417) = ( 0.0705882 0.1222624 0.1835792), wk = 0.0020619 k( 418) = ( 0.0666667 0.1154701 0.1835792), wk = 0.0020619 k( 419) = ( 0.0627451 0.1086777 0.1835792), wk = 0.0020619 k( 420) = ( 0.0588235 0.1018853 0.1835792), wk = 0.0020619 k( 421) = ( 0.0549020 0.0950930 0.1835792), wk = 0.0020619 k( 422) = ( 0.0509804 0.0883006 0.1835792), wk = 0.0020619 k( 423) = ( 0.0470588 0.0815083 0.1835792), wk = 0.0020619 k( 424) = ( 0.0431373 0.0747159 0.1835792), wk = 0.0020619 k( 425) = ( 0.0392157 0.0679236 0.1835792), wk = 0.0020619 k( 426) = ( 0.0352941 0.0611312 0.1835792), wk = 0.0020619 k( 427) = ( 0.0313725 0.0543389 0.1835792), wk = 0.0020619 k( 428) = ( 0.0274510 0.0475465 0.1835792), wk = 0.0020619 k( 429) = ( 0.0235294 0.0407541 0.1835792), wk = 0.0020619 k( 430) = ( 0.0196078 0.0339618 0.1835792), wk = 0.0020619 k( 431) = ( 0.0156863 0.0271694 0.1835792), wk = 0.0020619 k( 432) = ( 0.0117647 0.0203771 0.1835792), wk = 0.0020619 k( 433) = ( 0.0078431 0.0135847 0.1835792), wk = 0.0020619 k( 434) = ( 0.0039216 0.0067924 0.1835792), wk = 0.0020619 k( 435) = ( 0.0000000 0.0000000 0.1835792), wk = 0.0020619 k( 436) = ( 0.5000000 0.2886751 0.1835792), wk = 0.0020619 k( 437) = ( 0.5000000 0.2886751 0.1759301), wk = 0.0020619 k( 438) = ( 0.5000000 0.2886751 0.1682809), wk = 0.0020619 k( 439) = ( 0.5000000 0.2886751 0.1606318), wk = 0.0020619 k( 440) = ( 0.5000000 0.2886751 0.1529827), wk = 0.0020619 k( 441) = ( 0.5000000 0.2886751 0.1453335), wk = 0.0020619 k( 442) = ( 0.5000000 0.2886751 0.1376844), wk = 0.0020619 k( 443) = ( 0.5000000 0.2886751 0.1300353), wk = 0.0020619 k( 444) = ( 0.5000000 0.2886751 0.1223861), wk = 0.0020619 k( 445) = ( 0.5000000 0.2886751 0.1147370), wk = 0.0020619 k( 446) = ( 0.5000000 0.2886751 0.1070879), wk = 0.0020619 k( 447) = ( 0.5000000 0.2886751 0.0994387), wk = 0.0020619 k( 448) = ( 0.5000000 0.2886751 0.0917896), wk = 0.0020619 k( 449) = ( 0.5000000 0.2886751 0.0841405), wk = 0.0020619 k( 450) = ( 0.5000000 0.2886751 0.0764913), wk = 0.0020619 k( 451) = ( 0.5000000 0.2886751 0.0688422), wk = 0.0020619 k( 452) = ( 0.5000000 0.2886751 0.0611931), wk = 0.0020619 k( 453) = ( 0.5000000 0.2886751 0.0535439), wk = 0.0020619 k( 454) = ( 0.5000000 0.2886751 0.0458948), wk = 0.0020619 k( 455) = ( 0.5000000 0.2886751 0.0382457), wk = 0.0020619 k( 456) = ( 0.5000000 0.2886751 0.0305965), wk = 0.0020619 k( 457) = ( 0.5000000 0.2886751 0.0229474), wk = 0.0020619 k( 458) = ( 0.5000000 0.2886751 0.0152983), wk = 0.0020619 k( 459) = ( 0.5000000 0.2886751 0.0076491), wk = 0.0020619 k( 460) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020619 k( 461) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020619 k( 462) = ( 0.3333333 0.5773503 0.0076491), wk = 0.0020619 k( 463) = ( 0.3333333 0.5773503 0.0152983), wk = 0.0020619 k( 464) = ( 0.3333333 0.5773503 0.0229474), wk = 0.0020619 k( 465) = ( 0.3333333 0.5773503 0.0305965), wk = 0.0020619 k( 466) = ( 0.3333333 0.5773503 0.0382457), wk = 0.0020619 k( 467) = ( 0.3333333 0.5773503 0.0458948), wk = 0.0020619 k( 468) = ( 0.3333333 0.5773503 0.0535439), wk = 0.0020619 k( 469) = ( 0.3333333 0.5773503 0.0611931), wk = 0.0020619 k( 470) = ( 0.3333333 0.5773503 0.0688422), wk = 0.0020619 k( 471) = ( 0.3333333 0.5773503 0.0764913), wk = 0.0020619 k( 472) = ( 0.3333333 0.5773503 0.0841405), wk = 0.0020619 k( 473) = ( 0.3333333 0.5773503 0.0917896), wk = 0.0020619 k( 474) = ( 0.3333333 0.5773503 0.0994387), wk = 0.0020619 k( 475) = ( 0.3333333 0.5773503 0.1070879), wk = 0.0020619 k( 476) = ( 0.3333333 0.5773503 0.1147370), wk = 0.0020619 k( 477) = ( 0.3333333 0.5773503 0.1223861), wk = 0.0020619 k( 478) = ( 0.3333333 0.5773503 0.1300353), wk = 0.0020619 k( 479) = ( 0.3333333 0.5773503 0.1376844), wk = 0.0020619 k( 480) = ( 0.3333333 0.5773503 0.1453335), wk = 0.0020619 k( 481) = ( 0.3333333 0.5773503 0.1529827), wk = 0.0020619 k( 482) = ( 0.3333333 0.5773503 0.1606318), wk = 0.0020619 k( 483) = ( 0.3333333 0.5773503 0.1682809), wk = 0.0020619 k( 484) = ( 0.3333333 0.5773503 0.1759301), wk = 0.0020619 k( 485) = ( 0.3333333 0.5773503 0.1835792), wk = 0.0020619 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020619 k( 2) = ( 0.0067568 0.0000000 0.0000000), wk = 0.0020619 k( 3) = ( 0.0135135 0.0000000 -0.0000000), wk = 0.0020619 k( 4) = ( 0.0202703 0.0000000 -0.0000000), wk = 0.0020619 k( 5) = ( 0.0270270 -0.0000000 -0.0000000), wk = 0.0020619 k( 6) = ( 0.0337838 -0.0000000 -0.0000000), wk = 0.0020619 k( 7) = ( 0.0405405 0.0000000 -0.0000000), wk = 0.0020619 k( 8) = ( 0.0472973 -0.0000000 0.0000000), wk = 0.0020619 k( 9) = ( 0.0540540 -0.0000000 0.0000000), wk = 0.0020619 k( 10) = ( 0.0608108 0.0000000 -0.0000000), wk = 0.0020619 k( 11) = ( 0.0675676 -0.0000000 -0.0000000), wk = 0.0020619 k( 12) = ( 0.0743243 -0.0000000 0.0000000), wk = 0.0020619 k( 13) = ( 0.0810811 0.0000000 -0.0000000), wk = 0.0020619 k( 14) = ( 0.0878378 0.0000000 0.0000000), wk = 0.0020619 k( 15) = ( 0.0945946 -0.0000000 -0.0000000), wk = 0.0020619 k( 16) = ( 0.1013514 0.0000000 0.0000000), wk = 0.0020619 k( 17) = ( 0.1081081 -0.0000000 -0.0000000), wk = 0.0020619 k( 18) = ( 0.1148649 0.0000000 -0.0000000), wk = 0.0020619 k( 19) = ( 0.1216216 0.0000000 -0.0000000), wk = 0.0020619 k( 20) = ( 0.1283784 -0.0000000 0.0000000), wk = 0.0020619 k( 21) = ( 0.1351351 -0.0000000 -0.0000000), wk = 0.0020619 k( 22) = ( 0.1418919 -0.0000000 -0.0000000), wk = 0.0020619 k( 23) = ( 0.1486486 -0.0000000 -0.0000000), wk = 0.0020619 k( 24) = ( 0.1554054 0.0000000 0.0000000), wk = 0.0020619 k( 25) = ( 0.1621622 0.0000000 -0.0000000), wk = 0.0020619 k( 26) = ( 0.1689189 0.0000000 0.0000000), wk = 0.0020619 k( 27) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0020619 k( 28) = ( 0.1824324 0.0000000 0.0000000), wk = 0.0020619 k( 29) = ( 0.1891892 -0.0000000 0.0000000), wk = 0.0020619 k( 30) = ( 0.1959460 0.0000000 -0.0000000), wk = 0.0020619 k( 31) = ( 0.2027027 0.0000000 0.0000000), wk = 0.0020619 k( 32) = ( 0.2094595 -0.0000000 -0.0000000), wk = 0.0020619 k( 33) = ( 0.2162162 -0.0000000 -0.0000000), wk = 0.0020619 k( 34) = ( 0.2229730 0.0000000 0.0000000), wk = 0.0020619 k( 35) = ( 0.2297297 0.0000000 -0.0000000), wk = 0.0020619 k( 36) = ( 0.2364865 0.0000000 -0.0000000), wk = 0.0020619 k( 37) = ( 0.2432432 0.0000000 -0.0000000), wk = 0.0020619 k( 38) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0020619 k( 39) = ( 0.2567568 -0.0000000 0.0000000), wk = 0.0020619 k( 40) = ( 0.2635135 -0.0000000 -0.0000000), wk = 0.0020619 k( 41) = ( 0.2702703 -0.0000000 -0.0000000), wk = 0.0020619 k( 42) = ( 0.2770270 -0.0000000 -0.0000000), wk = 0.0020619 k( 43) = ( 0.2837838 -0.0000000 -0.0000000), wk = 0.0020619 k( 44) = ( 0.2905405 0.0000000 -0.0000000), wk = 0.0020619 k( 45) = ( 0.2972973 -0.0000000 -0.0000000), wk = 0.0020619 k( 46) = ( 0.3040541 -0.0000000 -0.0000000), wk = 0.0020619 k( 47) = ( 0.3108108 0.0000000 0.0000000), wk = 0.0020619 k( 48) = ( 0.3175676 0.0000000 0.0000000), wk = 0.0020619 k( 49) = ( 0.3243243 0.0000000 -0.0000000), wk = 0.0020619 k( 50) = ( 0.3310811 0.0000000 0.0000000), wk = 0.0020619 k( 51) = ( 0.3378378 0.0000000 0.0000000), wk = 0.0020619 k( 52) = ( 0.3445946 0.0000000 0.0000000), wk = 0.0020619 k( 53) = ( 0.3513514 0.0000000 -0.0000000), wk = 0.0020619 k( 54) = ( 0.3581081 0.0000000 -0.0000000), wk = 0.0020619 k( 55) = ( 0.3648649 0.0000000 0.0000000), wk = 0.0020619 k( 56) = ( 0.3716216 0.0000000 -0.0000000), wk = 0.0020619 k( 57) = ( 0.3783784 -0.0000000 0.0000000), wk = 0.0020619 k( 58) = ( 0.3851351 -0.0000000 0.0000000), wk = 0.0020619 k( 59) = ( 0.3918919 -0.0000000 0.0000000), wk = 0.0020619 k( 60) = ( 0.3986486 0.0000000 0.0000000), wk = 0.0020619 k( 61) = ( 0.4054054 -0.0000000 -0.0000000), wk = 0.0020619 k( 62) = ( 0.4121622 -0.0000000 0.0000000), wk = 0.0020619 k( 63) = ( 0.4189189 -0.0000000 -0.0000000), wk = 0.0020619 k( 64) = ( 0.4256757 0.0000000 -0.0000000), wk = 0.0020619 k( 65) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0020619 k( 66) = ( 0.4391892 -0.0000000 0.0000000), wk = 0.0020619 k( 67) = ( 0.4459459 0.0000000 0.0000000), wk = 0.0020619 k( 68) = ( 0.4527027 0.0000000 -0.0000000), wk = 0.0020619 k( 69) = ( 0.4594595 0.0000000 -0.0000000), wk = 0.0020619 k( 70) = ( 0.4662162 0.0000000 -0.0000000), wk = 0.0020619 k( 71) = ( 0.4729730 -0.0000000 0.0000000), wk = 0.0020619 k( 72) = ( 0.4797297 0.0000000 0.0000000), wk = 0.0020619 k( 73) = ( 0.4864865 0.0000000 -0.0000000), wk = 0.0020619 k( 74) = ( 0.4932432 0.0000000 -0.0000000), wk = 0.0020619 k( 75) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020619 k( 76) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020619 k( 77) = ( 0.4961240 0.0077519 -0.0000000), wk = 0.0020619 k( 78) = ( 0.4922481 0.0155039 0.0000000), wk = 0.0020619 k( 79) = ( 0.4883721 0.0232558 -0.0000000), wk = 0.0020619 k( 80) = ( 0.4844961 0.0310078 0.0000000), wk = 0.0020619 k( 81) = ( 0.4806202 0.0387597 0.0000000), wk = 0.0020619 k( 82) = ( 0.4767442 0.0465116 -0.0000000), wk = 0.0020619 k( 83) = ( 0.4728682 0.0542636 0.0000000), wk = 0.0020619 k( 84) = ( 0.4689922 0.0620155 -0.0000000), wk = 0.0020619 k( 85) = ( 0.4651163 0.0697674 -0.0000000), wk = 0.0020619 k( 86) = ( 0.4612403 0.0775194 -0.0000000), wk = 0.0020619 k( 87) = ( 0.4573643 0.0852713 -0.0000000), wk = 0.0020619 k( 88) = ( 0.4534884 0.0930233 -0.0000000), wk = 0.0020619 k( 89) = ( 0.4496124 0.1007752 -0.0000000), wk = 0.0020619 k( 90) = ( 0.4457364 0.1085271 -0.0000000), wk = 0.0020619 k( 91) = ( 0.4418605 0.1162791 -0.0000000), wk = 0.0020619 k( 92) = ( 0.4379845 0.1240310 -0.0000000), wk = 0.0020619 k( 93) = ( 0.4341085 0.1317830 -0.0000000), wk = 0.0020619 k( 94) = ( 0.4302326 0.1395349 -0.0000000), wk = 0.0020619 k( 95) = ( 0.4263566 0.1472868 -0.0000000), wk = 0.0020619 k( 96) = ( 0.4224806 0.1550388 -0.0000000), wk = 0.0020619 k( 97) = ( 0.4186047 0.1627907 -0.0000000), wk = 0.0020619 k( 98) = ( 0.4147287 0.1705426 -0.0000000), wk = 0.0020619 k( 99) = ( 0.4108527 0.1782946 -0.0000000), wk = 0.0020619 k( 100) = ( 0.4069767 0.1860465 -0.0000000), wk = 0.0020619 k( 101) = ( 0.4031008 0.1937984 -0.0000000), wk = 0.0020619 k( 102) = ( 0.3992248 0.2015504 -0.0000000), wk = 0.0020619 k( 103) = ( 0.3953488 0.2093023 0.0000000), wk = 0.0020619 k( 104) = ( 0.3914729 0.2170543 0.0000000), wk = 0.0020619 k( 105) = ( 0.3875969 0.2248062 -0.0000000), wk = 0.0020619 k( 106) = ( 0.3837209 0.2325581 -0.0000000), wk = 0.0020619 k( 107) = ( 0.3798450 0.2403101 -0.0000000), wk = 0.0020619 k( 108) = ( 0.3759690 0.2480620 -0.0000000), wk = 0.0020619 k( 109) = ( 0.3720930 0.2558139 0.0000000), wk = 0.0020619 k( 110) = ( 0.3682170 0.2635659 -0.0000000), wk = 0.0020619 k( 111) = ( 0.3643411 0.2713178 -0.0000000), wk = 0.0020619 k( 112) = ( 0.3604651 0.2790698 0.0000000), wk = 0.0020619 k( 113) = ( 0.3565892 0.2868217 0.0000000), wk = 0.0020619 k( 114) = ( 0.3527132 0.2945736 -0.0000000), wk = 0.0020619 k( 115) = ( 0.3488372 0.3023256 -0.0000000), wk = 0.0020619 k( 116) = ( 0.3449612 0.3100775 0.0000000), wk = 0.0020619 k( 117) = ( 0.3410853 0.3178295 -0.0000000), wk = 0.0020619 k( 118) = ( 0.3372093 0.3255814 -0.0000000), wk = 0.0020619 k( 119) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020619 k( 120) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020619 k( 121) = ( 0.3294118 0.3294118 -0.0000000), wk = 0.0020619 k( 122) = ( 0.3254902 0.3254902 0.0000000), wk = 0.0020619 k( 123) = ( 0.3215686 0.3215686 -0.0000000), wk = 0.0020619 k( 124) = ( 0.3176471 0.3176471 0.0000000), wk = 0.0020619 k( 125) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0020619 k( 126) = ( 0.3098039 0.3098039 -0.0000000), wk = 0.0020619 k( 127) = ( 0.3058824 0.3058823 -0.0000000), wk = 0.0020619 k( 128) = ( 0.3019608 0.3019608 -0.0000000), wk = 0.0020619 k( 129) = ( 0.2980392 0.2980392 -0.0000000), wk = 0.0020619 k( 130) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0020619 k( 131) = ( 0.2901961 0.2901961 -0.0000000), wk = 0.0020619 k( 132) = ( 0.2862745 0.2862745 0.0000000), wk = 0.0020619 k( 133) = ( 0.2823529 0.2823529 -0.0000000), wk = 0.0020619 k( 134) = ( 0.2784314 0.2784314 0.0000000), wk = 0.0020619 k( 135) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0020619 k( 136) = ( 0.2705882 0.2705882 -0.0000000), wk = 0.0020619 k( 137) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0020619 k( 138) = ( 0.2627451 0.2627451 -0.0000000), wk = 0.0020619 k( 139) = ( 0.2588235 0.2588235 -0.0000000), wk = 0.0020619 k( 140) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0020619 k( 141) = ( 0.2509804 0.2509804 -0.0000000), wk = 0.0020619 k( 142) = ( 0.2470588 0.2470588 0.0000000), wk = 0.0020619 k( 143) = ( 0.2431372 0.2431373 0.0000000), wk = 0.0020619 k( 144) = ( 0.2392157 0.2392157 -0.0000000), wk = 0.0020619 k( 145) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0020619 k( 146) = ( 0.2313726 0.2313725 -0.0000000), wk = 0.0020619 k( 147) = ( 0.2274510 0.2274510 -0.0000000), wk = 0.0020619 k( 148) = ( 0.2235294 0.2235294 -0.0000000), wk = 0.0020619 k( 149) = ( 0.2196078 0.2196078 -0.0000000), wk = 0.0020619 k( 150) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0020619 k( 151) = ( 0.2117647 0.2117647 -0.0000000), wk = 0.0020619 k( 152) = ( 0.2078431 0.2078431 0.0000000), wk = 0.0020619 k( 153) = ( 0.2039216 0.2039216 0.0000000), wk = 0.0020619 k( 154) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0020619 k( 155) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0020619 k( 156) = ( 0.1921569 0.1921569 -0.0000000), wk = 0.0020619 k( 157) = ( 0.1882353 0.1882353 -0.0000000), wk = 0.0020619 k( 158) = ( 0.1843137 0.1843137 -0.0000000), wk = 0.0020619 k( 159) = ( 0.1803922 0.1803922 -0.0000000), wk = 0.0020619 k( 160) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0020619 k( 161) = ( 0.1725490 0.1725490 -0.0000000), wk = 0.0020619 k( 162) = ( 0.1686275 0.1686274 0.0000000), wk = 0.0020619 k( 163) = ( 0.1647059 0.1647059 -0.0000000), wk = 0.0020619 k( 164) = ( 0.1607843 0.1607843 -0.0000000), wk = 0.0020619 k( 165) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0020619 k( 166) = ( 0.1529412 0.1529412 -0.0000000), wk = 0.0020619 k( 167) = ( 0.1490196 0.1490196 -0.0000000), wk = 0.0020619 k( 168) = ( 0.1450980 0.1450980 -0.0000000), wk = 0.0020619 k( 169) = ( 0.1411765 0.1411765 -0.0000000), wk = 0.0020619 k( 170) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0020619 k( 171) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0020619 k( 172) = ( 0.1294118 0.1294118 0.0000000), wk = 0.0020619 k( 173) = ( 0.1254902 0.1254902 0.0000000), wk = 0.0020619 k( 174) = ( 0.1215686 0.1215686 -0.0000000), wk = 0.0020619 k( 175) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0020619 k( 176) = ( 0.1137255 0.1137255 -0.0000000), wk = 0.0020619 k( 177) = ( 0.1098039 0.1098039 -0.0000000), wk = 0.0020619 k( 178) = ( 0.1058824 0.1058824 -0.0000000), wk = 0.0020619 k( 179) = ( 0.1019608 0.1019608 -0.0000000), wk = 0.0020619 k( 180) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0020619 k( 181) = ( 0.0941176 0.0941176 0.0000000), wk = 0.0020619 k( 182) = ( 0.0901961 0.0901961 -0.0000000), wk = 0.0020619 k( 183) = ( 0.0862745 0.0862745 -0.0000000), wk = 0.0020619 k( 184) = ( 0.0823529 0.0823529 -0.0000000), wk = 0.0020619 k( 185) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0020619 k( 186) = ( 0.0745098 0.0745098 0.0000000), wk = 0.0020619 k( 187) = ( 0.0705882 0.0705882 -0.0000000), wk = 0.0020619 k( 188) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0020619 k( 189) = ( 0.0627451 0.0627451 0.0000000), wk = 0.0020619 k( 190) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0020619 k( 191) = ( 0.0549020 0.0549020 -0.0000000), wk = 0.0020619 k( 192) = ( 0.0509804 0.0509804 -0.0000000), wk = 0.0020619 k( 193) = ( 0.0470588 0.0470588 0.0000000), wk = 0.0020619 k( 194) = ( 0.0431373 0.0431373 -0.0000000), wk = 0.0020619 k( 195) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0020619 k( 196) = ( 0.0352941 0.0352941 -0.0000000), wk = 0.0020619 k( 197) = ( 0.0313725 0.0313725 0.0000000), wk = 0.0020619 k( 198) = ( 0.0274510 0.0274510 -0.0000000), wk = 0.0020619 k( 199) = ( 0.0235294 0.0235294 0.0000000), wk = 0.0020619 k( 200) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0020619 k( 201) = ( 0.0156863 0.0156863 0.0000000), wk = 0.0020619 k( 202) = ( 0.0117647 0.0117647 -0.0000000), wk = 0.0020619 k( 203) = ( 0.0078431 0.0078431 -0.0000000), wk = 0.0020619 k( 204) = ( 0.0039216 0.0039216 -0.0000000), wk = 0.0020619 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020619 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020619 k( 207) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0020619 k( 208) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0020619 k( 209) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0020619 k( 210) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0020619 k( 211) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0020619 k( 212) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020619 k( 213) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0020619 k( 214) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0020619 k( 215) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0020619 k( 216) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0020619 k( 217) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0020619 k( 218) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020619 k( 219) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0020619 k( 220) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0020619 k( 221) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0020619 k( 222) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0020619 k( 223) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0020619 k( 224) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020619 k( 225) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0020619 k( 226) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0020619 k( 227) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0020619 k( 228) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0020619 k( 229) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0020619 k( 230) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020619 k( 231) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020619 k( 232) = ( 0.0067568 0.0000000 0.5000000), wk = 0.0020619 k( 233) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0020619 k( 234) = ( 0.0202703 0.0000000 0.5000000), wk = 0.0020619 k( 235) = ( 0.0270270 -0.0000000 0.5000000), wk = 0.0020619 k( 236) = ( 0.0337838 -0.0000000 0.5000000), wk = 0.0020619 k( 237) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0020619 k( 238) = ( 0.0472973 -0.0000000 0.5000000), wk = 0.0020619 k( 239) = ( 0.0540540 -0.0000000 0.5000000), wk = 0.0020619 k( 240) = ( 0.0608108 0.0000000 0.5000000), wk = 0.0020619 k( 241) = ( 0.0675676 -0.0000000 0.5000000), wk = 0.0020619 k( 242) = ( 0.0743243 -0.0000000 0.5000000), wk = 0.0020619 k( 243) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0020619 k( 244) = ( 0.0878378 0.0000000 0.5000000), wk = 0.0020619 k( 245) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0020619 k( 246) = ( 0.1013514 0.0000000 0.5000000), wk = 0.0020619 k( 247) = ( 0.1081081 -0.0000000 0.5000000), wk = 0.0020619 k( 248) = ( 0.1148649 0.0000000 0.5000000), wk = 0.0020619 k( 249) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0020619 k( 250) = ( 0.1283784 -0.0000000 0.5000000), wk = 0.0020619 k( 251) = ( 0.1351351 -0.0000000 0.5000000), wk = 0.0020619 k( 252) = ( 0.1418919 -0.0000000 0.5000000), wk = 0.0020619 k( 253) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0020619 k( 254) = ( 0.1554054 0.0000000 0.5000000), wk = 0.0020619 k( 255) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0020619 k( 256) = ( 0.1689189 0.0000000 0.5000000), wk = 0.0020619 k( 257) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0020619 k( 258) = ( 0.1824324 0.0000000 0.5000000), wk = 0.0020619 k( 259) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0020619 k( 260) = ( 0.1959460 0.0000000 0.5000000), wk = 0.0020619 k( 261) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0020619 k( 262) = ( 0.2094595 -0.0000000 0.5000000), wk = 0.0020619 k( 263) = ( 0.2162162 -0.0000000 0.5000000), wk = 0.0020619 k( 264) = ( 0.2229730 0.0000000 0.5000000), wk = 0.0020619 k( 265) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0020619 k( 266) = ( 0.2364865 0.0000000 0.5000000), wk = 0.0020619 k( 267) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0020619 k( 268) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0020619 k( 269) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0020619 k( 270) = ( 0.2635135 -0.0000000 0.5000000), wk = 0.0020619 k( 271) = ( 0.2702703 -0.0000000 0.5000000), wk = 0.0020619 k( 272) = ( 0.2770270 -0.0000000 0.5000000), wk = 0.0020619 k( 273) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0020619 k( 274) = ( 0.2905405 0.0000000 0.5000000), wk = 0.0020619 k( 275) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0020619 k( 276) = ( 0.3040541 -0.0000000 0.5000000), wk = 0.0020619 k( 277) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0020619 k( 278) = ( 0.3175676 0.0000000 0.5000000), wk = 0.0020619 k( 279) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0020619 k( 280) = ( 0.3310811 0.0000000 0.5000000), wk = 0.0020619 k( 281) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0020619 k( 282) = ( 0.3445946 0.0000000 0.5000000), wk = 0.0020619 k( 283) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0020619 k( 284) = ( 0.3581081 0.0000000 0.5000000), wk = 0.0020619 k( 285) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0020619 k( 286) = ( 0.3716216 0.0000000 0.5000000), wk = 0.0020619 k( 287) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0020619 k( 288) = ( 0.3851351 -0.0000000 0.5000000), wk = 0.0020619 k( 289) = ( 0.3918919 -0.0000000 0.5000000), wk = 0.0020619 k( 290) = ( 0.3986486 0.0000000 0.5000000), wk = 0.0020619 k( 291) = ( 0.4054054 -0.0000000 0.5000000), wk = 0.0020619 k( 292) = ( 0.4121622 -0.0000000 0.5000000), wk = 0.0020619 k( 293) = ( 0.4189189 -0.0000000 0.5000000), wk = 0.0020619 k( 294) = ( 0.4256757 0.0000000 0.5000000), wk = 0.0020619 k( 295) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0020619 k( 296) = ( 0.4391892 -0.0000000 0.5000000), wk = 0.0020619 k( 297) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0020619 k( 298) = ( 0.4527027 0.0000000 0.5000000), wk = 0.0020619 k( 299) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0020619 k( 300) = ( 0.4662162 0.0000000 0.5000000), wk = 0.0020619 k( 301) = ( 0.4729730 -0.0000000 0.5000000), wk = 0.0020619 k( 302) = ( 0.4797297 0.0000000 0.5000000), wk = 0.0020619 k( 303) = ( 0.4864865 0.0000000 0.5000000), wk = 0.0020619 k( 304) = ( 0.4932432 0.0000000 0.5000000), wk = 0.0020619 k( 305) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020619 k( 306) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020619 k( 307) = ( 0.4961240 0.0077519 0.5000000), wk = 0.0020619 k( 308) = ( 0.4922481 0.0155039 0.5000000), wk = 0.0020619 k( 309) = ( 0.4883721 0.0232558 0.5000000), wk = 0.0020619 k( 310) = ( 0.4844961 0.0310078 0.5000000), wk = 0.0020619 k( 311) = ( 0.4806202 0.0387597 0.5000000), wk = 0.0020619 k( 312) = ( 0.4767442 0.0465116 0.5000000), wk = 0.0020619 k( 313) = ( 0.4728682 0.0542636 0.5000000), wk = 0.0020619 k( 314) = ( 0.4689922 0.0620155 0.5000000), wk = 0.0020619 k( 315) = ( 0.4651163 0.0697674 0.5000000), wk = 0.0020619 k( 316) = ( 0.4612403 0.0775194 0.5000000), wk = 0.0020619 k( 317) = ( 0.4573643 0.0852713 0.5000000), wk = 0.0020619 k( 318) = ( 0.4534884 0.0930233 0.5000000), wk = 0.0020619 k( 319) = ( 0.4496124 0.1007752 0.5000000), wk = 0.0020619 k( 320) = ( 0.4457364 0.1085271 0.5000000), wk = 0.0020619 k( 321) = ( 0.4418605 0.1162791 0.5000000), wk = 0.0020619 k( 322) = ( 0.4379845 0.1240310 0.5000000), wk = 0.0020619 k( 323) = ( 0.4341085 0.1317830 0.5000000), wk = 0.0020619 k( 324) = ( 0.4302326 0.1395349 0.5000000), wk = 0.0020619 k( 325) = ( 0.4263566 0.1472868 0.5000000), wk = 0.0020619 k( 326) = ( 0.4224806 0.1550388 0.5000000), wk = 0.0020619 k( 327) = ( 0.4186047 0.1627907 0.5000000), wk = 0.0020619 k( 328) = ( 0.4147287 0.1705426 0.5000000), wk = 0.0020619 k( 329) = ( 0.4108527 0.1782946 0.5000000), wk = 0.0020619 k( 330) = ( 0.4069767 0.1860465 0.5000000), wk = 0.0020619 k( 331) = ( 0.4031008 0.1937984 0.5000000), wk = 0.0020619 k( 332) = ( 0.3992248 0.2015504 0.5000000), wk = 0.0020619 k( 333) = ( 0.3953488 0.2093023 0.5000000), wk = 0.0020619 k( 334) = ( 0.3914729 0.2170543 0.5000000), wk = 0.0020619 k( 335) = ( 0.3875969 0.2248062 0.5000000), wk = 0.0020619 k( 336) = ( 0.3837209 0.2325581 0.5000000), wk = 0.0020619 k( 337) = ( 0.3798450 0.2403101 0.5000000), wk = 0.0020619 k( 338) = ( 0.3759690 0.2480620 0.5000000), wk = 0.0020619 k( 339) = ( 0.3720930 0.2558139 0.5000000), wk = 0.0020619 k( 340) = ( 0.3682170 0.2635659 0.5000000), wk = 0.0020619 k( 341) = ( 0.3643411 0.2713178 0.5000000), wk = 0.0020619 k( 342) = ( 0.3604651 0.2790698 0.5000000), wk = 0.0020619 k( 343) = ( 0.3565892 0.2868217 0.5000000), wk = 0.0020619 k( 344) = ( 0.3527132 0.2945736 0.5000000), wk = 0.0020619 k( 345) = ( 0.3488372 0.3023256 0.5000000), wk = 0.0020619 k( 346) = ( 0.3449612 0.3100775 0.5000000), wk = 0.0020619 k( 347) = ( 0.3410853 0.3178295 0.5000000), wk = 0.0020619 k( 348) = ( 0.3372093 0.3255814 0.5000000), wk = 0.0020619 k( 349) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020619 k( 350) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020619 k( 351) = ( 0.3294118 0.3294118 0.5000000), wk = 0.0020619 k( 352) = ( 0.3254902 0.3254902 0.5000000), wk = 0.0020619 k( 353) = ( 0.3215686 0.3215686 0.5000000), wk = 0.0020619 k( 354) = ( 0.3176471 0.3176471 0.5000000), wk = 0.0020619 k( 355) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0020619 k( 356) = ( 0.3098039 0.3098039 0.5000000), wk = 0.0020619 k( 357) = ( 0.3058824 0.3058823 0.5000000), wk = 0.0020619 k( 358) = ( 0.3019608 0.3019608 0.5000000), wk = 0.0020619 k( 359) = ( 0.2980392 0.2980392 0.5000000), wk = 0.0020619 k( 360) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0020619 k( 361) = ( 0.2901961 0.2901961 0.5000000), wk = 0.0020619 k( 362) = ( 0.2862745 0.2862745 0.5000000), wk = 0.0020619 k( 363) = ( 0.2823529 0.2823529 0.5000000), wk = 0.0020619 k( 364) = ( 0.2784314 0.2784314 0.5000000), wk = 0.0020619 k( 365) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0020619 k( 366) = ( 0.2705882 0.2705882 0.5000000), wk = 0.0020619 k( 367) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0020619 k( 368) = ( 0.2627451 0.2627451 0.5000000), wk = 0.0020619 k( 369) = ( 0.2588235 0.2588235 0.5000000), wk = 0.0020619 k( 370) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0020619 k( 371) = ( 0.2509804 0.2509804 0.5000000), wk = 0.0020619 k( 372) = ( 0.2470588 0.2470588 0.5000000), wk = 0.0020619 k( 373) = ( 0.2431372 0.2431373 0.5000000), wk = 0.0020619 k( 374) = ( 0.2392157 0.2392157 0.5000000), wk = 0.0020619 k( 375) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0020619 k( 376) = ( 0.2313726 0.2313725 0.5000000), wk = 0.0020619 k( 377) = ( 0.2274510 0.2274510 0.5000000), wk = 0.0020619 k( 378) = ( 0.2235294 0.2235294 0.5000000), wk = 0.0020619 k( 379) = ( 0.2196078 0.2196078 0.5000000), wk = 0.0020619 k( 380) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0020619 k( 381) = ( 0.2117647 0.2117647 0.5000000), wk = 0.0020619 k( 382) = ( 0.2078431 0.2078431 0.5000000), wk = 0.0020619 k( 383) = ( 0.2039216 0.2039216 0.5000000), wk = 0.0020619 k( 384) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0020619 k( 385) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0020619 k( 386) = ( 0.1921569 0.1921569 0.5000000), wk = 0.0020619 k( 387) = ( 0.1882353 0.1882353 0.5000000), wk = 0.0020619 k( 388) = ( 0.1843137 0.1843137 0.5000000), wk = 0.0020619 k( 389) = ( 0.1803922 0.1803922 0.5000000), wk = 0.0020619 k( 390) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0020619 k( 391) = ( 0.1725490 0.1725490 0.5000000), wk = 0.0020619 k( 392) = ( 0.1686275 0.1686274 0.5000000), wk = 0.0020619 k( 393) = ( 0.1647059 0.1647059 0.5000000), wk = 0.0020619 k( 394) = ( 0.1607843 0.1607843 0.5000000), wk = 0.0020619 k( 395) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0020619 k( 396) = ( 0.1529412 0.1529412 0.5000000), wk = 0.0020619 k( 397) = ( 0.1490196 0.1490196 0.5000000), wk = 0.0020619 k( 398) = ( 0.1450980 0.1450980 0.5000000), wk = 0.0020619 k( 399) = ( 0.1411765 0.1411765 0.5000000), wk = 0.0020619 k( 400) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0020619 k( 401) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0020619 k( 402) = ( 0.1294118 0.1294118 0.5000000), wk = 0.0020619 k( 403) = ( 0.1254902 0.1254902 0.5000000), wk = 0.0020619 k( 404) = ( 0.1215686 0.1215686 0.5000000), wk = 0.0020619 k( 405) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0020619 k( 406) = ( 0.1137255 0.1137255 0.5000000), wk = 0.0020619 k( 407) = ( 0.1098039 0.1098039 0.5000000), wk = 0.0020619 k( 408) = ( 0.1058824 0.1058824 0.5000000), wk = 0.0020619 k( 409) = ( 0.1019608 0.1019608 0.5000000), wk = 0.0020619 k( 410) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0020619 k( 411) = ( 0.0941176 0.0941176 0.5000000), wk = 0.0020619 k( 412) = ( 0.0901961 0.0901961 0.5000000), wk = 0.0020619 k( 413) = ( 0.0862745 0.0862745 0.5000000), wk = 0.0020619 k( 414) = ( 0.0823529 0.0823529 0.5000000), wk = 0.0020619 k( 415) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0020619 k( 416) = ( 0.0745098 0.0745098 0.5000000), wk = 0.0020619 k( 417) = ( 0.0705882 0.0705882 0.5000000), wk = 0.0020619 k( 418) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0020619 k( 419) = ( 0.0627451 0.0627451 0.5000000), wk = 0.0020619 k( 420) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0020619 k( 421) = ( 0.0549020 0.0549020 0.5000000), wk = 0.0020619 k( 422) = ( 0.0509804 0.0509804 0.5000000), wk = 0.0020619 k( 423) = ( 0.0470588 0.0470588 0.5000000), wk = 0.0020619 k( 424) = ( 0.0431373 0.0431373 0.5000000), wk = 0.0020619 k( 425) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0020619 k( 426) = ( 0.0352941 0.0352941 0.5000000), wk = 0.0020619 k( 427) = ( 0.0313725 0.0313725 0.5000000), wk = 0.0020619 k( 428) = ( 0.0274510 0.0274510 0.5000000), wk = 0.0020619 k( 429) = ( 0.0235294 0.0235294 0.5000000), wk = 0.0020619 k( 430) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0020619 k( 431) = ( 0.0156863 0.0156863 0.5000000), wk = 0.0020619 k( 432) = ( 0.0117647 0.0117647 0.5000000), wk = 0.0020619 k( 433) = ( 0.0078431 0.0078431 0.5000000), wk = 0.0020619 k( 434) = ( 0.0039216 0.0039216 0.5000000), wk = 0.0020619 k( 435) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020619 k( 436) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020619 k( 437) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0020619 k( 438) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0020619 k( 439) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0020619 k( 440) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0020619 k( 441) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0020619 k( 442) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0020619 k( 443) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0020619 k( 444) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0020619 k( 445) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0020619 k( 446) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0020619 k( 447) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0020619 k( 448) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0020619 k( 449) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0020619 k( 450) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0020619 k( 451) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0020619 k( 452) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0020619 k( 453) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0020619 k( 454) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0020619 k( 455) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0020619 k( 456) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0020619 k( 457) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0020619 k( 458) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0020619 k( 459) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0020619 k( 460) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020619 k( 461) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020619 k( 462) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0020619 k( 463) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0020619 k( 464) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0020619 k( 465) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0020619 k( 466) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0020619 k( 467) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0020619 k( 468) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0020619 k( 469) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0020619 k( 470) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0020619 k( 471) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0020619 k( 472) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0020619 k( 473) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0020619 k( 474) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0020619 k( 475) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0020619 k( 476) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0020619 k( 477) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020619 k( 478) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0020619 k( 479) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0020619 k( 480) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0020619 k( 481) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0020619 k( 482) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0020619 k( 483) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0020619 k( 484) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0020619 k( 485) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020619 Dense grid: 23863 G-vectors FFT dimensions: ( 27, 27, 75) Smooth grid: 8511 G-vectors FFT dimensions: ( 20, 20, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 52, 24) NL pseudopotentials 0.02 Mb ( 26, 56) Each V/rho on FFT grid 0.03 Mb ( 2187) Each G-vector array 0.01 Mb ( 662) G-vector shells 0.00 Mb ( 338) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 52, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 56, 2, 24) Check: negative/imaginary core charge= -0.000012 0.000000 The potential is recalculated from file : ./C.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.2 secs Computing kpt #: 2 total cpu time spent up to now is 1.2 secs Computing kpt #: 3 total cpu time spent up to now is 1.3 secs Computing kpt #: 4 total cpu time spent up to now is 1.4 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 1.9 secs Computing kpt #: 10 total cpu time spent up to now is 2.0 secs Computing kpt #: 11 total cpu time spent up to now is 2.1 secs Computing kpt #: 12 total cpu time spent up to now is 2.2 secs Computing kpt #: 13 total cpu time spent up to now is 2.3 secs Computing kpt #: 14 total cpu time spent up to now is 2.4 secs Computing kpt #: 15 total cpu time spent up to now is 2.5 secs Computing kpt #: 16 total cpu time spent up to now is 2.7 secs Computing kpt #: 17 total cpu time spent up to now is 2.8 secs Computing kpt #: 18 total cpu time spent up to now is 3.0 secs Computing kpt #: 19 total cpu time spent up to now is 3.2 secs Computing kpt #: 20 total cpu time spent up to now is 3.4 secs Computing kpt #: 21 total cpu time spent up to now is 3.5 secs Computing kpt #: 22 total cpu time spent up to now is 3.5 secs Computing kpt #: 23 total cpu time spent up to now is 3.6 secs Computing kpt #: 24 total cpu time spent up to now is 3.7 secs Computing kpt #: 25 total cpu time spent up to now is 3.8 secs Computing kpt #: 26 total cpu time spent up to now is 3.8 secs Computing kpt #: 27 total cpu time spent up to now is 3.9 secs Computing kpt #: 28 total cpu time spent up to now is 4.0 secs Computing kpt #: 29 total cpu time spent up to now is 4.0 secs Computing kpt #: 30 total cpu time spent up to now is 4.1 secs Computing kpt #: 31 total cpu time spent up to now is 4.2 secs Computing kpt #: 32 total cpu time spent up to now is 4.2 secs Computing kpt #: 33 total cpu time spent up to now is 4.3 secs Computing kpt #: 34 total cpu time spent up to now is 4.4 secs Computing kpt #: 35 total cpu time spent up to now is 4.5 secs Computing kpt #: 36 total cpu time spent up to now is 4.6 secs Computing kpt #: 37 total cpu time spent up to now is 4.7 secs Computing kpt #: 38 total cpu time spent up to now is 4.7 secs Computing kpt #: 39 total cpu time spent up to now is 4.8 secs Computing kpt #: 40 total cpu time spent up to now is 4.9 secs Computing kpt #: 41 total cpu time spent up to now is 5.0 secs Computing kpt #: 42 total cpu time spent up to now is 5.0 secs Computing kpt #: 43 total cpu time spent up to now is 5.1 secs Computing kpt #: 44 total cpu time spent up to now is 5.2 secs Computing kpt #: 45 total cpu time spent up to now is 5.3 secs Computing kpt #: 46 total cpu time spent up to now is 5.3 secs Computing kpt #: 47 total cpu time spent up to now is 5.4 secs Computing kpt #: 48 total cpu time spent up to now is 5.5 secs Computing kpt #: 49 total cpu time spent up to now is 5.6 secs Computing kpt #: 50 total cpu time spent up to now is 5.7 secs Computing kpt #: 51 total cpu time spent up to now is 5.7 secs Computing kpt #: 52 total cpu time spent up to now is 5.8 secs Computing kpt #: 53 total cpu time spent up to now is 5.9 secs Computing kpt #: 54 total cpu time spent up to now is 6.0 secs Computing kpt #: 55 total cpu time spent up to now is 6.1 secs Computing kpt #: 56 total cpu time spent up to now is 6.2 secs Computing kpt #: 57 total cpu time spent up to now is 6.2 secs Computing kpt #: 58 total cpu time spent up to now is 6.3 secs Computing kpt #: 59 total cpu time spent up to now is 6.4 secs Computing kpt #: 60 total cpu time spent up to now is 6.5 secs Computing kpt #: 61 total cpu time spent up to now is 6.5 secs Computing kpt #: 62 total cpu time spent up to now is 6.6 secs Computing kpt #: 63 total cpu time spent up to now is 6.7 secs Computing kpt #: 64 total cpu time spent up to now is 6.7 secs Computing kpt #: 65 total cpu time spent up to now is 6.8 secs Computing kpt #: 66 total cpu time spent up to now is 6.9 secs Computing kpt #: 67 total cpu time spent up to now is 7.0 secs Computing kpt #: 68 total cpu time spent up to now is 7.0 secs Computing kpt #: 69 total cpu time spent up to now is 7.1 secs Computing kpt #: 70 total cpu time spent up to now is 7.2 secs Computing kpt #: 71 total cpu time spent up to now is 7.2 secs Computing kpt #: 72 total cpu time spent up to now is 7.3 secs Computing kpt #: 73 total cpu time spent up to now is 7.4 secs Computing kpt #: 74 total cpu time spent up to now is 7.4 secs Computing kpt #: 75 total cpu time spent up to now is 7.5 secs Computing kpt #: 76 total cpu time spent up to now is 7.5 secs Computing kpt #: 77 total cpu time spent up to now is 7.6 secs Computing kpt #: 78 total cpu time spent up to now is 7.7 secs Computing kpt #: 79 total cpu time spent up to now is 7.7 secs Computing kpt #: 80 total cpu time spent up to now is 7.9 secs Computing kpt #: 81 total cpu time spent up to now is 8.0 secs Computing kpt #: 82 total cpu time spent up to now is 8.0 secs Computing kpt #: 83 total cpu time spent up to now is 8.1 secs Computing kpt #: 84 total cpu time spent up to now is 8.2 secs Computing kpt #: 85 total cpu time spent up to now is 8.2 secs Computing kpt #: 86 total cpu time spent up to now is 8.3 secs Computing kpt #: 87 total cpu time spent up to now is 8.3 secs Computing kpt #: 88 total cpu time spent up to now is 8.4 secs Computing kpt #: 89 total cpu time spent up to now is 8.5 secs Computing kpt #: 90 total cpu time spent up to now is 8.5 secs Computing kpt #: 91 total cpu time spent up to now is 8.6 secs Computing kpt #: 92 total cpu time spent up to now is 8.7 secs Computing kpt #: 93 total cpu time spent up to now is 8.7 secs Computing kpt #: 94 total cpu time spent up to now is 8.8 secs Computing kpt #: 95 total cpu time spent up to now is 8.9 secs Computing kpt #: 96 total cpu time spent up to now is 8.9 secs Computing kpt #: 97 total cpu time spent up to now is 9.0 secs Computing kpt #: 98 total cpu time spent up to now is 9.1 secs Computing kpt #: 99 total cpu time spent up to now is 9.2 secs Computing kpt #: 100 total cpu time spent up to now is 9.2 secs Computing kpt #: 101 total cpu time spent up to now is 9.3 secs Computing kpt #: 102 total cpu time spent up to now is 9.4 secs Computing kpt #: 103 total cpu time spent up to now is 9.5 secs Computing kpt #: 104 total cpu time spent up to now is 9.6 secs Computing kpt #: 105 total cpu time spent up to now is 10.0 secs Computing kpt #: 106 total cpu time spent up to now is 10.2 secs Computing kpt #: 107 total cpu time spent up to now is 10.4 secs Computing kpt #: 108 total cpu time spent up to now is 10.7 secs Computing kpt #: 109 total cpu time spent up to now is 10.8 secs Computing kpt #: 110 total cpu time spent up to now is 10.9 secs Computing kpt #: 111 total cpu time spent up to now is 11.1 secs Computing kpt #: 112 total cpu time spent up to now is 11.2 secs Computing kpt #: 113 total cpu time spent up to now is 11.3 secs Computing kpt #: 114 total cpu time spent up to now is 11.4 secs Computing kpt #: 115 total cpu time spent up to 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Computing kpt #: 131 total cpu time spent up to now is 13.6 secs Computing kpt #: 132 total cpu time spent up to now is 13.8 secs Computing kpt #: 133 total cpu time spent up to now is 13.9 secs Computing kpt #: 134 total cpu time spent up to now is 14.1 secs Computing kpt #: 135 total cpu time spent up to now is 14.2 secs Computing kpt #: 136 total cpu time spent up to now is 14.4 secs Computing kpt #: 137 total cpu time spent up to now is 14.5 secs Computing kpt #: 138 total cpu time spent up to now is 14.7 secs Computing kpt #: 139 total cpu time spent up to now is 14.8 secs Computing kpt #: 140 total cpu time spent up to now is 15.0 secs Computing kpt #: 141 total cpu time spent up to now is 15.2 secs Computing kpt #: 142 total cpu time spent up to now is 15.3 secs Computing kpt #: 143 total cpu time spent up to now is 15.5 secs Computing kpt #: 144 total cpu time spent up to now is 15.7 secs Computing kpt #: 145 total cpu time spent up to now is 15.9 secs Computing kpt #: 146 total cpu time spent up to now is 16.0 secs Computing kpt #: 147 total cpu time spent up to now is 16.2 secs Computing kpt #: 148 total cpu time spent up to now is 16.3 secs Computing kpt #: 149 total cpu time spent up to now is 16.4 secs Computing kpt #: 150 total cpu time spent up to now is 16.5 secs Computing kpt #: 151 total cpu time spent up to now is 16.7 secs Computing kpt #: 152 total cpu time spent up to now is 16.8 secs Computing kpt #: 153 total cpu time spent up to now is 16.9 secs Computing kpt #: 154 total cpu time spent up to now is 17.1 secs Computing kpt #: 155 total cpu time spent up to now is 17.2 secs Computing kpt #: 156 total cpu time spent up to now is 17.3 secs Computing kpt #: 157 total cpu time spent up to now is 17.5 secs Computing kpt #: 158 total cpu time spent up to now is 17.6 secs Computing kpt #: 159 total cpu time spent up to now is 17.7 secs Computing kpt #: 160 total cpu time spent up to now is 17.9 secs Computing kpt #: 161 total cpu time spent up to now is 18.0 secs Computing kpt #: 162 total cpu time spent up to now is 18.1 secs Computing kpt #: 163 total cpu time spent up to now is 18.3 secs Computing kpt #: 164 total cpu time spent up to now is 18.4 secs Computing kpt #: 165 total cpu time spent up to now is 18.5 secs Computing kpt #: 166 total cpu time spent up to now is 18.7 secs Computing kpt #: 167 total cpu time spent up to now is 18.8 secs Computing kpt #: 168 total cpu time spent up to now is 18.9 secs Computing kpt #: 169 total cpu time spent up to now is 19.0 secs Computing kpt #: 170 total cpu time spent up to now is 19.1 secs Computing kpt #: 171 total cpu time spent up to now is 19.2 secs Computing kpt #: 172 total cpu time spent up to now is 19.3 secs Computing kpt #: 173 total cpu time spent up to now is 19.4 secs Computing kpt #: 174 total cpu time spent up to now is 19.5 secs Computing kpt #: 175 total cpu time spent up to now is 19.6 secs Computing kpt #: 176 total cpu time spent up to now is 19.6 secs Computing kpt #: 177 total cpu time spent up to now is 19.7 secs Computing kpt #: 178 total cpu time spent up to now is 19.8 secs Computing kpt #: 179 total cpu time spent up to now is 19.9 secs Computing kpt #: 180 total cpu time spent up to now is 19.9 secs Computing kpt #: 181 total cpu time spent up to now is 20.0 secs Computing kpt #: 182 total cpu time spent up to now is 20.1 secs Computing kpt #: 183 total cpu time spent up to now is 20.1 secs Computing kpt #: 184 total cpu time spent up to now is 20.2 secs Computing kpt #: 185 total cpu time spent up to now is 20.3 secs Computing kpt #: 186 total cpu time spent up to now is 20.5 secs Computing kpt #: 187 total cpu time spent up to now is 20.6 secs Computing kpt #: 188 total cpu time spent up to now is 20.7 secs Computing kpt #: 189 total cpu time spent up to now is 20.8 secs Computing kpt #: 190 total cpu time spent up to now is 21.0 secs Computing kpt #: 191 total cpu time spent up to now is 21.1 secs Computing kpt #: 192 total cpu time spent up to now is 21.2 secs Computing kpt #: 193 total cpu time spent up to now is 21.4 secs Computing kpt #: 194 total cpu time spent up to now is 21.5 secs Computing kpt #: 195 total cpu time spent up to now is 21.6 secs Computing kpt #: 196 total cpu time spent up to now is 21.7 secs Computing kpt #: 197 total cpu time spent up to now is 21.7 secs Computing kpt #: 198 total cpu time spent up to now is 21.8 secs Computing kpt #: 199 total cpu time spent up to now is 21.9 secs Computing kpt #: 200 total cpu time spent up to now is 22.0 secs Computing kpt #: 201 total cpu time spent up to now is 22.1 secs Computing kpt #: 202 total cpu time spent up to now is 22.1 secs Computing kpt #: 203 total cpu time spent up to now is 22.2 secs Computing kpt #: 204 total cpu time spent up to now is 22.3 secs Computing kpt #: 205 total cpu time spent up to now is 22.3 secs Computing kpt #: 206 total cpu time spent up to now is 22.4 secs Computing kpt #: 207 total cpu time spent up to now is 22.6 secs Computing kpt #: 208 total cpu time spent up to now is 22.6 secs Computing kpt #: 209 total cpu time spent up to now is 22.7 secs Computing kpt #: 210 total cpu time spent up to now is 22.8 secs Computing kpt #: 211 total cpu time spent up to now is 22.9 secs Computing kpt #: 212 total cpu time spent up to now is 23.0 secs Computing kpt #: 213 total cpu time spent up to now is 23.1 secs Computing kpt #: 214 total cpu time spent up to now is 23.2 secs Computing kpt #: 215 total cpu time spent up to now is 23.2 secs Computing kpt #: 216 total cpu time spent up to now is 23.3 secs Computing kpt #: 217 total cpu time spent up to now is 23.4 secs Computing kpt #: 218 total cpu time spent up to now is 23.5 secs Computing kpt #: 219 total cpu time spent up to now is 23.6 secs Computing kpt #: 220 total cpu time spent up to now is 23.7 secs Computing kpt #: 221 total cpu time spent up to now is 23.8 secs Computing kpt #: 222 total cpu time spent up to now is 23.9 secs Computing kpt #: 223 total cpu time spent up to now is 24.0 secs Computing kpt #: 224 total cpu time spent up to now is 24.1 secs Computing kpt #: 225 total cpu time spent up to now is 24.2 secs Computing kpt #: 226 total cpu time spent up to now is 24.3 secs Computing kpt #: 227 total cpu time spent up to now is 24.4 secs Computing kpt #: 228 total cpu time spent up to now is 24.5 secs Computing kpt #: 229 total cpu time spent up to now is 24.6 secs Computing kpt #: 230 total cpu time spent up to now is 24.7 secs Computing kpt #: 231 total cpu time spent up to now is 24.8 secs Computing kpt #: 232 total cpu time spent up to now is 24.9 secs Computing kpt #: 233 total cpu time spent up to now is 25.3 secs Computing kpt #: 234 total cpu time spent up to now is 25.4 secs Computing kpt #: 235 total cpu time spent up to now is 25.5 secs Computing kpt #: 236 total cpu time spent up to now is 25.6 secs Computing kpt #: 237 total cpu time spent up to now is 25.7 secs Computing kpt #: 238 total cpu time spent up to now is 25.7 secs Computing kpt #: 239 total cpu time spent up to now is 25.8 secs Computing kpt #: 240 total cpu time spent up to now is 25.9 secs Computing kpt #: 241 total cpu time spent up to now is 26.0 secs Computing kpt #: 242 total cpu time spent up to now is 26.1 secs Computing kpt #: 243 total cpu time spent up to now is 26.2 secs Computing kpt #: 244 total cpu time spent up to now is 26.2 secs Computing kpt #: 245 total cpu time spent up to now is 26.3 secs Computing kpt #: 246 total cpu time spent up to now is 26.4 secs Computing kpt #: 247 total cpu time spent up to now is 26.5 secs Computing kpt #: 248 total cpu time spent up to now is 26.5 secs Computing kpt #: 249 total cpu time spent up to now is 26.6 secs Computing kpt #: 250 total cpu time spent up to now is 26.7 secs Computing kpt #: 251 total cpu time spent up to now is 26.7 secs Computing kpt #: 252 total cpu time spent up to now is 26.8 secs Computing kpt #: 253 total cpu time spent up to now is 26.9 secs Computing kpt #: 254 total cpu time spent up to now is 27.0 secs Computing kpt #: 255 total cpu time spent up to now is 27.0 secs Computing kpt #: 256 total cpu time spent up to now is 27.1 secs Computing kpt #: 257 total cpu time spent up to now is 27.2 secs Computing kpt #: 258 total cpu time spent up to now is 27.3 secs Computing kpt #: 259 total cpu time spent up to now is 27.4 secs Computing kpt #: 260 total cpu time spent up to now is 27.5 secs Computing kpt #: 261 total cpu time spent up to now is 27.6 secs Computing kpt #: 262 total cpu time spent up to now is 27.7 secs Computing kpt #: 263 total cpu time spent up to now is 27.7 secs Computing kpt #: 264 total cpu time spent up to now is 27.8 secs Computing kpt #: 265 total cpu time spent up to now is 27.9 secs Computing kpt #: 266 total cpu time spent up to now is 28.0 secs Computing kpt #: 267 total cpu time spent up to now is 28.1 secs Computing kpt #: 268 total cpu time spent up to now is 28.2 secs Computing kpt #: 269 total cpu time spent up to now is 28.2 secs Computing kpt #: 270 total cpu time spent up to now is 28.3 secs Computing kpt #: 271 total cpu time spent up to now is 28.4 secs Computing kpt #: 272 total cpu time spent up to now is 28.5 secs Computing kpt #: 273 total cpu time spent up to now is 28.5 secs Computing kpt #: 274 total cpu time spent up to now is 28.6 secs Computing kpt #: 275 total cpu time spent up to now is 28.7 secs Computing kpt #: 276 total cpu time spent up to now is 28.7 secs Computing kpt #: 277 total cpu time spent up to now is 28.8 secs Computing kpt #: 278 total cpu time spent up to now is 28.9 secs Computing kpt #: 279 total cpu time spent up to now is 29.0 secs Computing kpt #: 280 total cpu time spent up to now is 29.0 secs Computing kpt #: 281 total cpu time spent up to now is 29.1 secs Computing kpt #: 282 total cpu time spent up to now is 29.2 secs Computing kpt #: 283 total cpu time spent up to now is 29.2 secs Computing kpt #: 284 total cpu time spent up to now is 29.3 secs Computing kpt #: 285 total cpu time spent up to now is 29.4 secs Computing kpt #: 286 total cpu time spent up to now is 29.4 secs Computing kpt #: 287 total cpu time spent up to now is 29.5 secs Computing kpt #: 288 total cpu time spent up to now is 29.6 secs Computing kpt #: 289 total cpu time spent up to now is 29.6 secs Computing kpt #: 290 total cpu time spent up to now is 29.8 secs Computing kpt #: 291 total cpu time spent up to now is 29.8 secs Computing kpt #: 292 total cpu time spent up to now is 29.9 secs Computing kpt #: 293 total cpu time spent up to now is 30.0 secs Computing kpt #: 294 total cpu time spent up to now is 30.0 secs Computing kpt #: 295 total cpu time spent up to now is 30.1 secs Computing kpt #: 296 total cpu time spent up to now is 30.2 secs Computing kpt #: 297 total cpu time spent up to now is 30.2 secs Computing kpt #: 298 total cpu time spent up to now is 30.3 secs Computing kpt #: 299 total cpu time spent up to now is 30.4 secs Computing kpt #: 300 total cpu time spent up to now is 30.4 secs Computing kpt #: 301 total cpu time spent up to now is 30.5 secs Computing kpt #: 302 total cpu time spent up to now is 30.6 secs Computing kpt #: 303 total cpu time spent up to now is 30.6 secs Computing kpt #: 304 total cpu time spent up to now is 30.7 secs Computing kpt #: 305 total cpu time spent up to now is 30.8 secs Computing kpt #: 306 total cpu time spent up to now is 30.8 secs Computing kpt #: 307 total cpu time spent up to now is 30.9 secs Computing kpt #: 308 total cpu time spent up to now is 31.0 secs Computing kpt #: 309 total cpu time spent up to now is 31.0 secs Computing kpt #: 310 total cpu time spent up to now is 31.1 secs Computing kpt #: 311 total cpu time spent up to now is 31.1 secs Computing kpt #: 312 total cpu time spent up to now is 31.2 secs Computing kpt #: 313 total cpu time spent up to now is 31.3 secs Computing kpt #: 314 total cpu time spent up to now is 31.3 secs Computing kpt #: 315 total cpu time spent up to now is 31.4 secs Computing kpt #: 316 total cpu time spent up to now is 31.5 secs Computing kpt #: 317 total cpu time spent up to now is 31.5 secs Computing kpt #: 318 total cpu time spent up to now is 31.6 secs Computing kpt #: 319 total cpu time spent up to now is 31.7 secs Computing kpt #: 320 total cpu time spent up to now is 31.7 secs Computing kpt #: 321 total cpu time spent up to now is 31.8 secs Computing kpt #: 322 total cpu time spent up to now is 31.9 secs Computing kpt #: 323 total cpu time spent up to now is 32.0 secs Computing kpt #: 324 total cpu time spent up to now is 32.0 secs Computing kpt #: 325 total cpu time spent up to now is 32.1 secs Computing kpt #: 326 total cpu time spent up to now is 32.2 secs Computing kpt #: 327 total cpu time spent up to now is 32.2 secs Computing kpt #: 328 total cpu time spent up to now is 32.3 secs Computing kpt #: 329 total cpu time spent up to now is 32.4 secs Computing kpt #: 330 total cpu time spent up to now is 32.5 secs Computing kpt #: 331 total cpu time spent up to now is 32.6 secs Computing kpt #: 332 total cpu time spent up to now is 32.7 secs Computing kpt #: 333 total cpu time spent up to now is 32.8 secs Computing kpt #: 334 total cpu time spent up to now is 32.9 secs Computing kpt #: 335 total cpu time spent up to now is 33.0 secs Computing kpt #: 336 total cpu time spent up to now is 33.1 secs Computing kpt #: 337 total cpu time spent up to now is 33.2 secs Computing kpt #: 338 total cpu time spent up to now is 33.3 secs Computing kpt #: 339 total cpu time spent up to now is 33.3 secs Computing kpt #: 340 total cpu time spent up to now is 33.4 secs Computing kpt #: 341 total cpu time spent up to now is 33.5 secs Computing kpt #: 342 total cpu time spent up to now is 33.6 secs Computing kpt #: 343 total cpu time spent up to now is 33.7 secs Computing kpt #: 344 total cpu time spent up to now is 33.8 secs Computing kpt #: 345 total cpu time spent up to now is 33.9 secs Computing kpt #: 346 total cpu time spent up to now is 34.0 secs Computing kpt #: 347 total cpu time spent up to now is 34.1 secs Computing kpt #: 348 total cpu time spent up to now is 34.2 secs Computing kpt #: 349 total cpu time spent up to now is 34.4 secs Computing kpt #: 350 total cpu time spent up to now is 34.5 secs Computing kpt #: 351 total cpu time spent up to now is 34.6 secs Computing kpt #: 352 total cpu time spent up to now is 34.7 secs Computing kpt #: 353 total cpu time spent up to now is 34.8 secs Computing kpt #: 354 total cpu time spent up to now is 34.9 secs Computing kpt #: 355 total cpu time spent up to now is 35.0 secs Computing kpt #: 356 total cpu time spent up to now is 35.1 secs Computing kpt #: 357 total cpu time spent up to now is 35.2 secs Computing kpt #: 358 total cpu time spent up to now is 35.3 secs Computing kpt #: 359 total cpu time spent up to now is 35.4 secs Computing kpt #: 360 total cpu time spent up to now is 35.5 secs Computing kpt #: 361 total cpu time spent up to now is 35.6 secs Computing kpt #: 362 total cpu time spent up to now is 35.7 secs Computing kpt #: 363 total cpu time spent up to now is 35.8 secs Computing kpt #: 364 total cpu time spent up to now is 35.9 secs Computing kpt #: 365 total cpu time spent up to now is 35.9 secs Computing kpt #: 366 total cpu time spent up to now is 36.0 secs Computing kpt #: 367 total cpu time spent up to now is 36.1 secs Computing kpt #: 368 total cpu time spent up to now is 36.2 secs Computing kpt #: 369 total cpu time spent up to now is 36.3 secs Computing kpt #: 370 total cpu time spent up to now is 36.4 secs Computing kpt #: 371 total cpu time spent up to now is 36.5 secs Computing kpt #: 372 total cpu time spent up to now is 36.6 secs Computing kpt #: 373 total cpu time spent up to now is 36.7 secs Computing kpt #: 374 total cpu time spent up to now is 36.8 secs Computing kpt #: 375 total cpu time spent up to now is 36.9 secs Computing kpt #: 376 total cpu time spent up to now is 37.0 secs Computing kpt #: 377 total cpu time spent up to now is 37.1 secs Computing kpt #: 378 total cpu time spent up to now is 37.2 secs Computing kpt #: 379 total cpu time spent up to now is 37.4 secs Computing kpt #: 380 total cpu time spent up to now is 37.5 secs Computing kpt #: 381 total cpu time spent up to now is 37.6 secs Computing kpt #: 382 total cpu time spent up to now is 37.7 secs Computing kpt #: 383 total cpu time spent up to now is 37.8 secs Computing kpt #: 384 total cpu time spent up to now is 37.9 secs Computing kpt #: 385 total cpu time spent up to now is 38.0 secs Computing kpt #: 386 total cpu time spent up to now is 38.1 secs Computing kpt #: 387 total cpu time spent up to now is 38.2 secs Computing kpt #: 388 total cpu time spent up to now is 38.3 secs Computing kpt #: 389 total cpu time spent up to now is 38.4 secs Computing kpt #: 390 total cpu time spent up to now is 38.5 secs Computing kpt #: 391 total cpu time spent up to now is 38.6 secs Computing kpt #: 392 total cpu time spent up to now is 38.7 secs Computing kpt #: 393 total cpu time spent up to now is 38.8 secs Computing kpt #: 394 total cpu time spent up to now is 38.9 secs Computing kpt #: 395 total cpu time spent up to now is 39.0 secs Computing kpt #: 396 total cpu time spent up to now is 39.1 secs Computing kpt #: 397 total cpu time spent up to now is 39.2 secs Computing kpt #: 398 total cpu time spent up to now is 39.3 secs Computing kpt #: 399 total cpu time spent up to now is 39.4 secs Computing kpt #: 400 total cpu time spent up to now is 39.4 secs Computing kpt #: 401 total cpu time spent up to now is 39.5 secs Computing kpt #: 402 total cpu time spent up to now is 39.6 secs Computing kpt #: 403 total cpu time spent up to now is 39.7 secs Computing kpt #: 404 total cpu time spent up to now is 39.8 secs Computing kpt #: 405 total cpu time spent up to now is 39.9 secs Computing kpt #: 406 total cpu time spent up to now is 39.9 secs Computing kpt #: 407 total cpu time spent up to now is 40.0 secs Computing kpt #: 408 total cpu time spent up to now is 40.1 secs Computing kpt #: 409 total cpu time spent up to now is 40.2 secs Computing kpt #: 410 total cpu time spent up to now is 40.3 secs Computing kpt #: 411 total cpu time spent up to now is 40.4 secs Computing kpt #: 412 total cpu time spent up to now is 40.4 secs Computing kpt #: 413 total cpu time spent up to now is 40.5 secs Computing kpt #: 414 total cpu time spent up to now is 40.6 secs Computing kpt #: 415 total cpu time spent up to now is 40.6 secs Computing kpt #: 416 total cpu time spent up to now is 40.7 secs Computing kpt #: 417 total cpu time spent up to now is 40.8 secs Computing kpt #: 418 total cpu time spent up to now is 40.9 secs Computing kpt #: 419 total cpu time spent up to now is 40.9 secs Computing kpt #: 420 total cpu time spent up to now is 41.0 secs Computing kpt #: 421 total cpu time spent up to now is 41.1 secs Computing kpt #: 422 total cpu time spent up to now is 41.2 secs Computing kpt #: 423 total cpu time spent up to now is 41.3 secs Computing kpt #: 424 total cpu time spent up to now is 41.4 secs Computing kpt #: 425 total cpu time spent up to now is 41.5 secs Computing kpt #: 426 total cpu time spent up to now is 41.5 secs Computing kpt #: 427 total cpu time spent up to now is 41.6 secs Computing kpt #: 428 total cpu time spent up to now is 41.7 secs Computing kpt #: 429 total cpu time spent up to now is 41.8 secs Computing kpt #: 430 total cpu time spent up to now is 41.8 secs Computing kpt #: 431 total cpu time spent up to now is 41.9 secs Computing kpt #: 432 total cpu time spent up to now is 42.0 secs Computing kpt #: 433 total cpu time spent up to now is 42.1 secs Computing kpt #: 434 total cpu time spent up to now is 42.2 secs Computing kpt #: 435 total cpu time spent up to now is 42.4 secs Computing kpt #: 436 total cpu time spent up to now is 42.4 secs Computing kpt #: 437 total cpu time spent up to now is 42.5 secs Computing kpt #: 438 total cpu time spent up to now is 42.5 secs Computing kpt #: 439 total cpu time spent up to now is 42.6 secs Computing kpt #: 440 total cpu time spent up to now is 42.7 secs Computing kpt #: 441 total cpu time spent up to now is 42.7 secs Computing kpt #: 442 total cpu time spent up to now is 42.8 secs Computing kpt #: 443 total cpu time spent up to now is 42.9 secs Computing kpt #: 444 total cpu time spent up to now is 43.0 secs Computing kpt #: 445 total cpu time spent up to now is 43.0 secs Computing kpt #: 446 total cpu time spent up to now is 43.1 secs Computing kpt #: 447 total cpu time spent up to now is 43.2 secs Computing kpt #: 448 total cpu time spent up to now is 43.2 secs Computing kpt #: 449 total cpu time spent up to now is 43.3 secs Computing kpt #: 450 total cpu time spent up to now is 43.4 secs Computing kpt #: 451 total cpu time spent up to now is 43.4 secs Computing kpt #: 452 total cpu time spent up to now is 43.5 secs Computing kpt #: 453 total cpu time spent up to now is 43.6 secs Computing kpt #: 454 total cpu time spent up to now is 43.6 secs Computing kpt #: 455 total cpu time spent up to now is 43.7 secs Computing kpt #: 456 total cpu time spent up to now is 43.8 secs Computing kpt #: 457 total cpu time spent up to now is 43.8 secs Computing kpt #: 458 total cpu time spent up to now is 43.9 secs Computing kpt #: 459 total cpu time spent up to now is 44.0 secs Computing kpt #: 460 total cpu time spent up to now is 44.0 secs Computing kpt #: 461 total cpu time spent up to now is 44.2 secs Computing kpt #: 462 total cpu time spent up to now is 44.3 secs Computing kpt #: 463 total cpu time spent up to now is 44.4 secs Computing kpt #: 464 total cpu time spent up to now is 44.5 secs Computing kpt #: 465 total cpu time spent up to now is 44.6 secs Computing kpt #: 466 total cpu time spent up to now is 44.7 secs Computing kpt #: 467 total cpu time spent up to now is 44.8 secs Computing kpt #: 468 total cpu time spent up to now is 44.9 secs Computing kpt #: 469 total cpu time spent up to now is 45.0 secs Computing kpt #: 470 total cpu time spent up to now is 45.1 secs Computing kpt #: 471 total cpu time spent up to now is 45.2 secs Computing kpt #: 472 total cpu time spent up to now is 45.3 secs Computing kpt #: 473 total cpu time spent up to now is 45.4 secs Computing kpt #: 474 total cpu time spent up to now is 45.5 secs Computing kpt #: 475 total cpu time spent up to now is 45.6 secs Computing kpt #: 476 total cpu time spent up to now is 45.6 secs Computing kpt #: 477 total cpu time spent up to now is 45.7 secs Computing kpt #: 478 total cpu time spent up to now is 45.8 secs Computing kpt #: 479 total cpu time spent up to now is 45.9 secs Computing kpt #: 480 total cpu time spent up to now is 46.0 secs Computing kpt #: 481 total cpu time spent up to now is 46.1 secs Computing kpt #: 482 total cpu time spent up to now is 46.2 secs Computing kpt #: 483 total cpu time spent up to now is 46.3 secs Computing kpt #: 484 total cpu time spent up to now is 46.4 secs Computing kpt #: 485 total cpu time spent up to now is 46.5 secs ethr = 6.25E-08, avg # of iterations = 16.6 total cpu time spent up to now is 46.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1045 PWs) bands (ev): -12.6478 -12.6478 -12.3481 -12.3481 -1.5147 -1.5147 0.4484 0.4484 3.9655 3.9655 3.9746 3.9746 3.9837 3.9837 3.9929 3.9929 11.2981 11.2981 15.3601 15.3601 15.3678 15.3678 15.4114 15.4192 k = 0.0068 0.0039-0.0000 ( 1051 PWs) bands (ev): -12.6467 -12.6467 -12.3470 -12.3470 -1.5134 -1.5134 0.4496 0.4496 3.9618 3.9618 3.9711 3.9711 3.9799 3.9799 3.9893 3.9893 11.2994 11.2994 15.3621 15.3621 15.3709 15.3709 15.4134 15.4134 k = 0.0135 0.0078-0.0000 ( 1055 PWs) bands (ev): -12.6434 -12.6434 -12.3438 -12.3438 -1.5094 -1.5094 0.4533 0.4533 3.9497 3.9497 3.9620 3.9620 3.9683 3.9683 3.9805 3.9805 11.3034 11.3034 15.3651 15.3651 15.3835 15.3835 15.4172 15.4172 k = 0.0203 0.0117-0.0000 ( 1055 PWs) bands (ev): -12.6380 -12.6380 -12.3385 -12.3385 -1.5028 -1.5028 0.4595 0.4595 3.9279 3.9279 3.9465 3.9465 3.9496 3.9496 3.9679 3.9679 11.3099 11.3099 15.3685 15.3685 15.4068 15.4068 15.4216 15.4216 k = 0.0270 0.0156-0.0000 ( 1055 PWs) bands (ev): -12.6304 -12.6304 -12.3310 -12.3310 -1.4935 -1.4935 0.4682 0.4682 3.8967 3.8967 3.9165 3.9165 3.9319 3.9319 3.9511 3.9511 11.3191 11.3191 15.3726 15.3726 15.4271 15.4271 15.4397 15.4397 k = 0.0338 0.0195-0.0000 ( 1055 PWs) bands (ev): -12.6206 -12.6206 -12.3214 -12.3214 -1.4816 -1.4816 0.4794 0.4794 3.8564 3.8564 3.8773 3.8773 3.9101 3.9101 3.9301 3.9301 11.3309 11.3309 15.3775 15.3775 15.4338 15.4338 15.4819 15.4819 k = 0.0405 0.0234-0.0000 ( 1051 PWs) bands (ev): -12.6086 -12.6086 -12.3096 -12.3096 -1.4670 -1.4670 0.4931 0.4931 3.8076 3.8076 3.8296 3.8296 3.8840 3.8840 3.9048 3.9048 11.3454 11.3454 15.3829 15.3829 15.4415 15.4415 15.5333 15.5333 k = 0.0473 0.0273-0.0000 ( 1055 PWs) bands (ev): -12.5944 -12.5944 -12.2958 -12.2958 -1.4498 -1.4498 0.5092 0.5092 3.7499 3.7499 3.7735 3.7735 3.8536 3.8536 3.8753 3.8753 11.3624 11.3624 15.3888 15.3888 15.4501 15.4501 15.5938 15.5938 k = 0.0541 0.0312-0.0000 ( 1053 PWs) bands (ev): -12.5781 -12.5781 -12.2798 -12.2798 -1.4299 -1.4299 0.5278 0.5278 3.6843 3.6843 3.7094 3.7094 3.8191 3.8191 3.8418 3.8418 11.3822 11.3822 15.3948 15.3948 15.4593 15.4593 15.6630 15.6630 k = 0.0608 0.0351-0.0000 ( 1055 PWs) bands (ev): -12.5596 -12.5596 -12.2616 -12.2616 -1.4074 -1.4074 0.5488 0.5488 3.6107 3.6107 3.6375 3.6375 3.7804 3.7804 3.8042 3.8042 11.4045 11.4045 15.4010 15.4010 15.4689 15.4689 15.7408 15.7408 k = 0.0676 0.0390-0.0000 ( 1055 PWs) bands (ev): -12.5390 -12.5390 -12.2413 -12.2413 -1.3822 -1.3822 0.5724 0.5724 3.5294 3.5294 3.5581 3.5581 3.7380 3.7380 3.7630 3.7630 11.4295 11.4295 15.4066 15.4066 15.4786 15.4786 15.8271 15.8271 k = 0.0743 0.0429-0.0000 ( 1055 PWs) bands (ev): -12.5161 -12.5161 -12.2189 -12.2189 -1.3544 -1.3544 0.5984 0.5984 3.4408 3.4408 3.4714 3.4714 3.6921 3.6921 3.7182 3.7182 11.4571 11.4571 15.4115 15.4115 15.4881 15.4881 15.9216 15.9216 k = 0.0811 0.0468-0.0000 ( 1055 PWs) bands (ev): -12.4911 -12.4911 -12.1943 -12.1943 -1.3240 -1.3240 0.6268 0.6268 3.3451 3.3451 3.3777 3.3777 3.6429 3.6429 3.6701 3.6701 11.4874 11.4874 15.4155 15.4155 15.4973 15.4973 16.0241 16.0241 k = 0.0878 0.0507-0.0000 ( 1055 PWs) bands (ev): -12.4639 -12.4639 -12.1677 -12.1677 -1.2909 -1.2909 0.6577 0.6577 3.2427 3.2427 3.2774 3.2774 3.5905 3.5905 3.6188 3.6188 11.5203 11.5203 15.4184 15.4184 15.5058 15.5058 16.1342 16.1342 k = 0.0946 0.0546-0.0000 ( 1057 PWs) bands (ev): -12.4346 -12.4346 -12.1389 -12.1389 -1.2553 -1.2553 0.6910 0.6910 3.1335 3.1335 3.1708 3.1708 3.5353 3.5353 3.5647 3.5647 11.5559 11.5559 15.4198 15.4198 15.5134 15.5134 16.2519 16.2519 k = 0.1014 0.0585-0.0000 ( 1055 PWs) bands (ev): -12.4031 -12.4031 -12.1079 -12.1079 -1.2170 -1.2170 0.7268 0.7268 3.0187 3.0187 3.0582 3.0582 3.4774 3.4774 3.5078 3.5078 11.5941 11.5941 15.4197 15.4197 15.5204 15.5204 16.3767 16.3767 k = 0.1081 0.0624-0.0000 ( 1059 PWs) bands (ev): -12.3694 -12.3694 -12.0749 -12.0749 -1.1761 -1.1761 0.7650 0.7650 2.8981 2.8981 2.9399 2.9399 3.4170 3.4170 3.4486 3.4486 11.6349 11.6349 15.4178 15.4178 15.5257 15.5257 16.5084 16.5084 k = 0.1149 0.0663-0.0000 ( 1058 PWs) bands (ev): -12.3336 -12.3336 -12.0398 -12.0398 -1.1326 -1.1326 0.8056 0.8056 2.7720 2.7720 2.8163 2.8163 3.3544 3.3544 3.3871 3.3871 11.6784 11.6784 15.4143 15.4143 15.5296 15.5296 16.6469 16.6469 k = 0.1216 0.0702-0.0000 ( 1050 PWs) bands (ev): -12.2956 -12.2956 -12.0025 -12.0025 -1.0865 -1.0865 0.8486 0.8486 2.6410 2.6410 2.6876 2.6876 3.2903 3.2903 3.3237 3.3237 11.7246 11.7246 15.4088 15.4088 15.5319 15.5319 16.7926 16.7926 k = 0.1284 0.0741-0.0000 ( 1050 PWs) bands (ev): -12.2555 -12.2555 -11.9631 -11.9631 -1.0377 -1.0377 0.8940 0.8940 2.5050 2.5050 2.5541 2.5541 3.2240 3.2240 3.2585 3.2585 11.7734 11.7734 15.4012 15.4012 15.5326 15.5326 16.9438 16.9438 k = 0.1351 0.0780-0.0000 ( 1050 PWs) bands (ev): -12.2132 -12.2132 -11.9216 -11.9216 -0.9864 -0.9864 0.9417 0.9417 2.3645 2.3645 2.4162 2.4162 3.1562 3.1562 3.1916 3.1916 11.8248 11.8248 15.3916 15.3916 15.5315 15.5315 16.8949 16.8949 k = 0.1419 0.0819-0.0000 ( 1050 PWs) bands (ev): -12.1688 -12.1688 -11.8780 -11.8780 -0.9325 -0.9325 0.9919 0.9919 2.2199 2.2199 2.2742 2.2742 3.0871 3.0871 3.1234 3.1234 11.8789 11.8789 15.3800 15.3800 15.5287 15.5287 16.7546 16.7546 k = 0.1486 0.0858-0.0000 ( 1050 PWs) bands (ev): -12.1222 -12.1222 -11.8322 -11.8322 -0.8761 -0.8761 1.0444 1.0444 2.0713 2.0713 2.1283 2.1283 3.0168 3.0168 3.0540 3.0540 11.9356 11.9356 15.3664 15.3664 15.5241 15.5241 16.6091 16.6091 k = 0.1554 0.0897-0.0000 ( 1050 PWs) bands (ev): -12.0735 -12.0735 -11.7844 -11.7844 -0.8171 -0.8171 1.0992 1.0992 1.9192 1.9192 1.9788 1.9788 2.9456 2.9456 2.9836 2.9836 11.9949 11.9949 15.3510 15.3510 15.5178 15.5178 16.4588 16.4588 k = 0.1622 0.0936-0.0000 ( 1052 PWs) bands (ev): -12.0227 -12.0227 -11.7345 -11.7345 -0.7555 -0.7555 1.1564 1.1564 1.7635 1.7635 1.8260 1.8260 2.8736 2.8736 2.9124 2.9124 12.0568 12.0568 15.3336 15.3336 15.5096 15.5096 16.3038 16.3038 k = 0.1689 0.0975-0.0000 ( 1052 PWs) bands (ev): -11.9697 -11.9697 -11.6825 -11.6825 -0.6914 -0.6914 1.2158 1.2158 1.6049 1.6049 1.6702 1.6702 2.8010 2.8010 2.8407 2.8407 12.1214 12.1214 15.3146 15.3146 15.4998 15.4998 16.1444 16.1444 k = 0.1757 0.1014-0.0000 ( 1052 PWs) bands (ev): -11.9146 -11.9146 -11.6284 -11.6284 -0.6248 -0.6248 1.2776 1.2776 1.4435 1.4435 1.5115 1.5115 2.7281 2.7281 2.7685 2.7685 12.1886 12.1886 15.2939 15.2939 15.4884 15.4884 15.9808 15.9808 k = 0.1824 0.1053-0.0000 ( 1052 PWs) bands (ev): -11.8574 -11.8574 -11.5722 -11.5722 -0.5557 -0.5557 1.2795 1.2795 1.3415 1.3415 1.3504 1.3504 2.6549 2.6549 2.6960 2.6960 12.2583 12.2583 15.2717 15.2717 15.4755 15.4755 15.8132 15.8132 k = 0.1892 0.1092-0.0000 ( 1044 PWs) bands (ev): -11.7980 -11.7980 -11.5139 -11.5139 -0.4840 -0.4840 1.1131 1.1131 1.1869 1.1869 1.4079 1.4079 2.5817 2.5817 2.6234 2.6234 12.3307 12.3307 15.2482 15.2482 15.4612 15.4612 15.6419 15.6419 k = 0.1959 0.1131-0.0000 ( 1048 PWs) bands (ev): -11.7366 -11.7366 -11.4536 -11.4536 -0.4099 -0.4099 0.9445 0.9445 1.0211 1.0211 1.4763 1.4763 2.5079 2.5079 2.5508 2.5508 12.4056 12.4056 15.2230 15.2230 15.4454 15.4454 15.4671 15.4671 k = 0.2027 0.1170-0.0000 ( 1044 PWs) bands (ev): -11.6730 -11.6730 -11.3912 -11.3912 -0.3333 -0.3333 0.7740 0.7740 0.8534 0.8534 1.5471 1.5471 2.4349 2.4349 2.4784 2.4784 12.4832 12.4832 15.1971 15.1971 15.2889 15.2889 15.4287 15.4287 k = 0.2095 0.1209-0.0000 ( 1044 PWs) bands (ev): -11.6073 -11.6073 -11.3267 -11.3267 -0.2543 -0.2543 0.6017 0.6017 0.6840 0.6840 1.6199 1.6199 2.3621 2.3621 2.4063 2.4063 12.5632 12.5632 15.1078 15.1078 15.1702 15.1702 15.4107 15.4107 k = 0.2162 0.1248-0.0000 ( 1044 PWs) bands (ev): -11.5395 -11.5395 -11.2602 -11.2602 -0.1728 -0.1728 0.4280 0.4280 0.5127 0.5127 1.6949 1.6949 2.2898 2.2898 2.3346 2.3346 12.6458 12.6458 14.9238 14.9238 15.1423 15.1423 15.3916 15.3916 k = 0.2230 0.1287-0.0000 ( 1044 PWs) bands (ev): -11.4697 -11.4697 -11.1916 -11.1916 -0.0889 -0.0889 0.2528 0.2528 0.3404 0.3404 1.7720 1.7720 2.2180 2.2180 2.2634 2.2634 12.7309 12.7309 14.7374 14.7374 15.1138 15.1138 15.2823 15.2823 k = 0.2297 0.1326-0.0000 ( 1046 PWs) bands (ev): -11.3977 -11.3977 -11.1209 -11.1209 -0.0026 -0.0026 0.0764 0.0764 0.1667 0.1667 1.8512 1.8512 2.1469 2.1469 2.1928 2.1928 12.8185 12.8185 14.5483 14.5483 15.0847 15.0847 15.1155 15.1155 k = 0.2365 0.1365-0.0000 ( 1046 PWs) bands (ev): -11.3237 -11.3237 -11.0483 -11.0483 -0.1010 -0.1010 -0.0079 -0.0079 0.0860 0.0860 1.9324 1.9324 2.0765 2.0765 2.1230 2.1230 12.9086 12.9086 14.3575 14.3575 14.9469 14.9469 15.0551 15.0551 k = 0.2432 0.1404-0.0000 ( 1046 PWs) bands (ev): -11.2477 -11.2477 -10.9736 -10.9736 -0.2794 -0.2794 -0.1834 -0.1834 0.1770 0.1770 2.0070 2.0070 2.0156 2.0156 2.0541 2.0541 13.0011 13.0011 14.1647 14.1647 14.7768 14.7768 15.0251 15.0251 k = 0.2500 0.1443-0.0000 ( 1050 PWs) bands (ev): -11.1696 -11.1696 -10.8968 -10.8968 -0.4585 -0.4585 -0.3597 -0.3597 0.2704 0.2704 1.9385 1.9385 1.9860 1.9860 2.1005 2.1005 13.0959 13.0959 13.9704 13.9704 14.6051 14.6051 14.9949 14.9949 k = 0.2568 0.1482-0.0000 ( 1050 PWs) bands (ev): -11.0894 -11.0894 -10.8181 -10.8181 -0.6381 -0.6381 -0.5365 -0.5365 0.3660 0.3660 1.8710 1.8710 1.9190 1.9190 2.1875 2.1875 13.1932 13.1932 13.7746 13.7746 14.4322 14.4322 14.9646 14.9646 k = 0.2635 0.1521-0.0000 ( 1046 PWs) bands (ev): -11.0072 -11.0072 -10.7373 -10.7373 -0.8183 -0.8183 -0.7138 -0.7138 0.4638 0.4638 1.8047 1.8047 1.8531 1.8531 2.2763 2.2763 13.2927 13.2927 13.5777 13.5777 14.2582 14.2582 14.9343 14.9343 k = 0.2703 0.1560-0.0000 ( 1046 PWs) bands (ev): -10.9229 -10.9229 -10.6546 -10.6546 -0.9988 -0.9988 -0.8915 -0.8915 0.5639 0.5639 1.7395 1.7395 1.7884 1.7884 2.3670 2.3670 13.3799 13.3799 13.3944 13.3944 14.0831 14.0831 14.9042 14.9042 k = 0.2770 0.1599-0.0000 ( 1052 PWs) bands (ev): -10.8366 -10.8366 -10.5698 -10.5698 -1.1797 -1.1797 -1.0695 -1.0695 0.6662 0.6662 1.6756 1.6756 1.7249 1.7249 2.4592 2.4592 13.1813 13.1813 13.4983 13.4983 13.9072 13.9072 14.8742 14.8742 k = 0.2838 0.1638-0.0000 ( 1052 PWs) bands (ev): -10.7483 -10.7483 -10.4831 -10.4831 -1.3606 -1.3606 -1.2475 -1.2475 0.7707 0.7707 1.6131 1.6131 1.6627 1.6627 2.5532 2.5532 12.9823 12.9823 13.6040 13.6040 13.7307 13.7307 14.8447 14.8447 k = 0.2905 0.1677-0.0000 ( 1052 PWs) bands (ev): -10.6580 -10.6580 -10.3944 -10.3944 -1.5414 -1.5414 -1.4259 -1.4259 0.8772 0.8772 1.5519 1.5519 1.6020 1.6020 2.6488 2.6488 12.7831 12.7831 13.5537 13.5537 13.7116 13.7116 14.8157 14.8157 k = 0.2973 0.1716-0.0000 ( 1052 PWs) bands (ev): -10.5657 -10.5657 -10.3038 -10.3038 -1.7221 -1.7221 -1.6039 -1.6039 0.9858 0.9858 1.4922 1.4922 1.5426 1.5426 2.7458 2.7458 12.5838 12.5838 13.3762 13.3762 13.8206 13.8206 14.7874 14.7874 k = 0.3041 0.1755-0.0000 ( 1052 PWs) bands (ev): -10.4714 -10.4714 -10.2112 -10.2112 -1.9027 -1.9027 -1.7816 -1.7816 1.0965 1.0965 1.4340 1.4340 1.4848 1.4848 2.8442 2.8442 12.3847 12.3847 13.1984 13.1984 13.9306 13.9306 14.7601 14.7601 k = 0.3108 0.1794-0.0000 ( 1048 PWs) bands (ev): -10.3752 -10.3752 -10.1167 -10.1167 -2.0828 -2.0828 -1.9591 -1.9591 1.2090 1.2090 1.3774 1.3774 1.4285 1.4285 2.9439 2.9439 12.1861 12.1861 13.0206 13.0206 14.0410 14.0410 14.7342 14.7342 k = 0.3176 0.1833-0.0000 ( 1050 PWs) bands (ev): -10.2770 -10.2770 -10.0203 -10.0203 -2.2626 -2.2626 -2.1362 -2.1362 1.3218 1.3218 1.3240 1.3240 1.3738 1.3738 3.0447 3.0447 11.9883 11.9883 12.8428 12.8428 14.1504 14.1504 14.7102 14.7102 k = 0.3243 0.1872-0.0000 ( 1046 PWs) bands (ev): -10.1769 -10.1769 -9.9220 -9.9220 -2.4419 -2.4419 -2.3128 -2.3128 1.2690 1.2690 1.3207 1.3207 1.4398 1.4398 3.1465 3.1465 11.7914 11.7914 12.6654 12.6654 14.2566 14.2566 14.6896 14.6896 k = 0.3311 0.1911-0.0000 ( 1050 PWs) bands (ev): -10.0749 -10.0749 -9.8218 -9.8218 -2.6210 -2.6210 -2.4888 -2.4888 1.2173 1.2173 1.2693 1.2693 1.5577 1.5577 3.2491 3.2491 11.5958 11.5958 12.4883 12.4883 14.3550 14.3550 14.6750 14.6750 k = 0.3378 0.1951-0.0000 ( 1058 PWs) bands (ev): -9.9710 -9.9710 -9.7198 -9.7198 -2.7991 -2.7991 -2.6642 -2.6642 1.1672 1.1672 1.2195 1.2195 1.6774 1.6774 3.3523 3.3523 11.4015 11.4015 12.3118 12.3118 14.4358 14.4358 14.6729 14.6729 k = 0.3446 0.1990-0.0000 ( 1058 PWs) bands (ev): -9.8652 -9.8652 -9.6159 -9.6159 -2.9765 -2.9765 -2.8389 -2.8389 1.1191 1.1191 1.1716 1.1716 1.7986 1.7986 3.4561 3.4561 11.2093 11.2093 12.1361 12.1361 14.4844 14.4844 14.6923 14.6923 k = 0.3514 0.2029-0.0000 ( 1058 PWs) bands (ev): -9.7575 -9.7575 -9.5103 -9.5103 -3.1529 -3.1529 -3.0127 -3.0127 1.0728 1.0728 1.1255 1.1255 1.9212 1.9212 3.5600 3.5600 11.0192 11.0192 11.9613 11.9613 14.4984 14.4984 14.7276 14.7276 k = 0.3581 0.2068-0.0000 ( 1058 PWs) bands (ev): -9.6481 -9.6481 -9.4028 -9.4028 -3.3285 -3.3285 -3.1857 -3.1857 1.0283 1.0283 1.0813 1.0813 2.0452 2.0452 3.6639 3.6639 10.8317 10.8317 11.7878 11.7878 14.4929 14.4929 14.7582 14.7582 k = 0.3649 0.2107-0.0000 ( 1060 PWs) bands (ev): -9.5369 -9.5369 -9.2937 -9.2937 -3.5032 -3.5032 -3.3577 -3.3577 0.9858 0.9858 1.0389 1.0389 2.1703 2.1703 3.7674 3.7674 10.6471 10.6471 11.6155 11.6155 14.4796 14.4796 14.7749 14.7749 k = 0.3716 0.2146-0.0000 ( 1056 PWs) bands (ev): -9.4239 -9.4239 -9.1827 -9.1827 -3.6766 -3.6766 -3.5286 -3.5286 0.9451 0.9451 0.9985 0.9985 2.2965 2.2965 3.8703 3.8703 10.4658 10.4658 11.4450 11.4450 14.4632 14.4632 14.7800 14.7800 k = 0.3784 0.2185-0.0000 ( 1056 PWs) bands (ev): -9.3092 -9.3092 -9.0702 -9.0702 -3.8489 -3.8489 -3.6984 -3.6984 0.9064 0.9064 0.9599 0.9599 2.4235 2.4235 3.9721 3.9721 10.2884 10.2884 11.2763 11.2763 14.4457 14.4457 14.7779 14.7779 k = 0.3851 0.2224-0.0000 ( 1060 PWs) bands (ev): -9.1929 -9.1929 -8.9561 -8.9561 -4.0198 -4.0198 -3.8670 -3.8670 0.8695 0.8695 0.9234 0.9234 2.5512 2.5512 4.0723 4.0723 10.1152 10.1152 11.1098 11.1098 14.4279 14.4279 14.7717 14.7717 k = 0.3919 0.2263-0.0000 ( 1060 PWs) bands (ev): -9.0749 -9.0749 -8.8405 -8.8405 -4.1894 -4.1894 -4.0343 -4.0343 0.8347 0.8347 0.8888 0.8888 2.6792 2.6792 4.1706 4.1706 9.9469 9.9469 10.9458 10.9458 14.4106 14.4106 14.7632 14.7632 k = 0.3986 0.2302-0.0000 ( 1066 PWs) bands (ev): -8.9554 -8.9554 -8.7234 -8.7234 -4.3574 -4.3574 -4.2004 -4.2004 0.8019 0.8019 0.8562 0.8562 2.8074 2.8074 4.2660 4.2660 9.7842 9.7842 10.7845 10.7845 14.3937 14.3937 14.7536 14.7536 k = 0.4054 0.2341-0.0000 ( 1062 PWs) bands (ev): -8.8345 -8.8345 -8.6051 -8.6051 -4.5237 -4.5237 -4.3647 -4.3647 0.7712 0.7712 0.8256 0.8256 2.9353 2.9353 4.3583 4.3583 9.6278 9.6278 10.6265 10.6265 14.3777 14.3777 14.7435 14.7435 k = 0.4122 0.2380-0.0000 ( 1062 PWs) bands (ev): -8.7123 -8.7123 -8.4855 -8.4855 -4.6882 -4.6882 -4.5273 -4.5273 0.7425 0.7425 0.7970 0.7970 3.0627 3.0627 4.4464 4.4464 9.4785 9.4785 10.4721 10.4721 14.3625 14.3625 14.7333 14.7333 k = 0.4189 0.2419-0.0000 ( 1054 PWs) bands (ev): -8.5888 -8.5888 -8.3649 -8.3649 -4.8507 -4.8507 -4.6880 -4.6880 0.7160 0.7160 0.7705 0.7705 3.1890 3.1890 4.5298 4.5298 9.3372 9.3372 10.3218 10.3218 14.3483 14.3483 14.7234 14.7234 k = 0.4257 0.2458-0.0000 ( 1054 PWs) bands (ev): -8.4643 -8.4643 -8.2435 -8.2435 -5.0108 -5.0108 -4.8467 -4.8467 0.6915 0.6915 0.7461 0.7461 3.3138 3.3138 4.6072 4.6072 9.2047 9.2047 10.1763 10.1763 14.3350 14.3350 14.7139 14.7139 k = 0.4324 0.2497-0.0000 ( 1054 PWs) bands (ev): -8.3391 -8.3391 -8.1216 -8.1216 -5.1684 -5.1684 -5.0032 -5.0032 0.6690 0.6690 0.7237 0.7237 3.4364 3.4364 4.6778 4.6778 9.0822 9.0822 10.0361 10.0361 14.3228 14.3228 14.7049 14.7049 k = 0.4392 0.2536-0.0000 ( 1054 PWs) bands (ev): -8.2134 -8.2134 -7.9996 -7.9996 -5.3229 -5.3229 -5.1570 -5.1570 0.6486 0.6486 0.7034 0.7034 3.5560 3.5560 4.7407 4.7407 8.9706 8.9706 9.9021 9.9021 14.3117 14.3117 14.6966 14.6966 k = 0.4459 0.2575-0.0000 ( 1054 PWs) bands (ev): -8.0876 -8.0876 -7.8781 -7.8781 -5.4737 -5.4737 -5.3077 -5.3077 0.6304 0.6304 0.6853 0.6853 3.6718 3.6718 4.7949 4.7949 8.8709 8.8709 9.7752 9.7752 14.3017 14.3017 14.6890 14.6890 k = 0.4527 0.2614-0.0000 ( 1054 PWs) bands (ev): -7.9624 -7.9624 -7.7580 -7.7580 -5.6199 -5.6199 -5.4548 -5.4548 0.6143 0.6143 0.6692 0.6692 3.7824 3.7824 4.8397 4.8397 8.7838 8.7838 9.6566 9.6566 14.2928 14.2928 14.6823 14.6823 k = 0.4595 0.2653-0.0000 ( 1052 PWs) bands (ev): -7.8388 -7.8388 -7.6405 -7.6405 -5.7601 -5.7601 -5.5973 -5.5973 0.6003 0.6003 0.6553 0.6553 3.8867 3.8867 4.8747 4.8747 8.7101 8.7101 9.5477 9.5477 14.2851 14.2851 14.6763 14.6763 k = 0.4662 0.2692-0.0000 ( 1060 PWs) bands (ev): -7.7180 -7.7180 -7.5278 -7.5278 -5.8922 -5.8922 -5.7339 -5.7339 0.5884 0.5884 0.6430 0.6430 3.9825 3.9825 4.8999 4.8999 8.6498 8.6498 9.4499 9.4499 14.2785 14.2785 14.6710 14.6710 k = 0.4730 0.2731-0.0000 ( 1056 PWs) bands (ev): -7.6024 -7.6024 -7.4231 -7.4231 -6.0130 -6.0130 -5.8624 -5.8624 0.5787 0.5787 0.6333 0.6333 4.0678 4.0678 4.9159 4.9159 8.6029 8.6029 9.3654 9.3654 14.2731 14.2731 14.6668 14.6668 k = 0.4797 0.2770-0.0000 ( 1054 PWs) bands (ev): -7.4956 -7.4956 -7.3312 -7.3312 -6.1171 -6.1171 -5.9793 -5.9793 0.5712 0.5712 0.6258 0.6258 4.1399 4.1399 4.9243 4.9243 8.5683 8.5683 9.2961 9.2961 14.2689 14.2689 14.6635 14.6635 k = 0.4865 0.2809-0.0000 ( 1056 PWs) bands (ev): -7.4039 -7.4039 -7.2596 -7.2596 -6.1973 -6.1973 -6.0784 -6.0784 0.5658 0.5658 0.6204 0.6204 4.1950 4.1950 4.9272 4.9272 8.5452 8.5452 9.2444 9.2444 14.2659 14.2659 14.6612 14.6612 k = 0.4932 0.2848-0.0000 ( 1056 PWs) bands (ev): -7.3380 -7.3380 -7.2154 -7.2154 -6.2458 -6.2458 -6.1496 -6.1496 0.5625 0.5625 0.6172 0.6172 4.2299 4.2299 4.9274 4.9274 8.5321 8.5321 9.2123 9.2123 14.2641 14.2641 14.6598 14.6598 k = 0.5000 0.2887-0.0000 ( 1064 PWs) bands (ev): -7.3131 -7.3131 -7.2013 -7.2013 -6.2611 -6.2611 -6.1770 -6.1770 0.5614 0.5614 0.6161 0.6161 4.2419 4.2419 4.9271 4.9271 8.5278 8.5278 9.2014 9.2014 14.2635 14.2635 14.6592 14.6592 k = 0.5000 0.2887-0.0000 ( 1064 PWs) bands (ev): -7.3131 -7.3131 -7.2013 -7.2013 -6.2611 -6.2611 -6.1770 -6.1770 0.5614 0.5614 0.6161 0.6161 4.2419 4.2419 4.9271 4.9271 8.5278 8.5278 9.2014 9.2014 14.2635 14.2635 14.6592 14.6592 k = 0.4961 0.2954-0.0000 ( 1058 PWs) bands (ev): -7.3121 -7.3121 -7.2003 -7.2003 -6.2601 -6.2601 -6.1760 -6.1760 0.5567 0.5567 0.6113 0.6113 4.2432 4.2432 4.9284 4.9284 8.5279 8.5279 9.2006 9.2006 14.2700 14.2700 14.6659 14.6659 k = 0.4922 0.3021-0.0000 ( 1058 PWs) bands (ev): -7.3093 -7.3093 -7.1976 -7.1976 -6.2574 -6.2574 -6.1733 -6.1733 0.5421 0.5421 0.5971 0.5971 4.2471 4.2471 4.9323 4.9323 8.5279 8.5279 9.1983 9.1983 14.2892 14.2892 14.6855 14.6855 k = 0.4884 0.3088-0.0000 ( 1054 PWs) bands (ev): -7.3047 -7.3047 -7.1931 -7.1931 -6.2528 -6.2528 -6.1688 -6.1688 0.5178 0.5178 0.5739 0.5739 4.2537 4.2537 4.9386 4.9386 8.5278 8.5278 9.1946 9.1946 14.3211 14.3211 14.7185 14.7185 k = 0.4845 0.3155-0.0000 ( 1050 PWs) bands (ev): -7.2983 -7.2983 -7.1867 -7.1867 -6.2464 -6.2464 -6.1625 -6.1625 0.4841 0.4841 0.5410 0.5410 4.2628 4.2628 4.9476 4.9476 8.5276 8.5276 9.1891 9.1891 14.3656 14.3656 14.7641 14.7641 k = 0.4806 0.3222-0.0000 ( 1050 PWs) bands (ev): -7.2901 -7.2901 -7.1785 -7.1785 -6.2382 -6.2382 -6.1545 -6.1545 0.4411 0.4411 0.4991 0.4991 4.2745 4.2745 4.9591 4.9591 8.5273 8.5273 9.1821 9.1821 14.4223 14.4223 14.8224 14.8224 k = 0.4767 0.3290-0.0000 ( 1050 PWs) bands (ev): -7.2800 -7.2800 -7.1686 -7.1686 -6.2281 -6.2281 -6.1446 -6.1446 0.3891 0.3891 0.4485 0.4485 4.2889 4.2889 4.9731 4.9731 8.5269 8.5269 9.1734 9.1734 14.4910 14.4910 14.8931 14.8931 k = 0.4729 0.3357-0.0000 ( 1050 PWs) bands (ev): -7.2680 -7.2680 -7.1568 -7.1568 -6.2163 -6.2163 -6.1330 -6.1330 0.3283 0.3283 0.3895 0.3895 4.3058 4.3058 4.9897 4.9897 8.5263 8.5263 9.1630 9.1630 14.5714 14.5714 14.9759 14.9759 k = 0.4690 0.3424-0.0000 ( 1050 PWs) bands (ev): -7.2543 -7.2543 -7.1432 -7.1432 -6.2027 -6.2027 -6.1197 -6.1197 0.2592 0.2592 0.3222 0.3222 4.3254 4.3254 5.0088 5.0088 8.5255 8.5255 9.1507 9.1507 14.6630 14.6630 15.0704 15.0704 k = 0.4651 0.3491-0.0000 ( 1054 PWs) bands (ev): -7.2387 -7.2387 -7.1278 -7.1278 -6.1873 -6.1873 -6.1047 -6.1047 0.1822 0.1822 0.2471 0.2471 4.3473 4.3473 5.0304 5.0304 8.5242 8.5242 9.1365 9.1365 14.7653 14.7653 15.1763 15.1763 k = 0.4612 0.3558-0.0000 ( 1058 PWs) bands (ev): -7.2213 -7.2213 -7.1106 -7.1106 -6.1702 -6.1702 -6.0879 -6.0879 0.0977 0.0977 0.1646 0.1646 4.3721 4.3721 5.0545 5.0545 8.5227 8.5227 9.1203 9.1203 14.8780 14.8780 15.2932 15.2932 k = 0.4574 0.3625-0.0000 ( 1058 PWs) bands (ev): -7.2020 -7.2020 -7.0915 -7.0915 -6.1513 -6.1513 -6.0694 -6.0694 0.0060 0.0060 0.0751 0.0751 4.3994 4.3994 5.0813 5.0813 8.5208 8.5208 9.1021 9.1021 15.0005 15.0005 15.4205 15.4205 k = 0.4535 0.3692-0.0000 ( 1056 PWs) bands (ev): -7.1810 -7.1810 -7.0707 -7.0707 -6.1307 -6.1307 -6.0492 -6.0492 -0.0923 -0.0923 -0.0209 -0.0209 4.4293 4.4293 5.1106 5.1106 8.5184 8.5184 9.0817 9.0817 15.1322 15.1322 15.5580 15.5580 k = 0.4496 0.3759-0.0000 ( 1056 PWs) bands (ev): -7.1580 -7.1580 -7.0480 -7.0480 -6.1084 -6.1084 -6.0274 -6.0274 -0.1968 -0.1968 -0.1231 -0.1231 4.4619 4.4619 5.1423 5.1423 8.5153 8.5153 9.0589 9.0589 15.2726 15.2726 15.7050 15.7050 k = 0.4457 0.3827-0.0000 ( 1056 PWs) bands (ev): -7.1333 -7.1333 -7.0235 -7.0235 -6.0845 -6.0845 -6.0040 -6.0040 -0.3071 -0.3071 -0.2309 -0.2309 4.4970 4.4970 5.1766 5.1766 8.5115 8.5115 9.0337 9.0337 15.4212 15.4212 15.8612 15.8612 k = 0.4419 0.3894-0.0000 ( 1060 PWs) bands (ev): -7.1067 -7.1067 -6.9972 -6.9972 -6.0589 -6.0589 -5.9790 -5.9790 -0.4228 -0.4228 -0.3439 -0.3439 4.5346 4.5346 5.2134 5.2134 8.5069 8.5069 9.0059 9.0059 15.5772 15.5772 16.0261 16.0261 k = 0.4380 0.3961-0.0000 ( 1060 PWs) bands (ev): -7.0783 -7.0783 -6.9691 -6.9691 -6.0317 -6.0317 -5.9525 -5.9525 -0.5431 -0.5431 -0.4618 -0.4618 4.5749 4.5749 5.2527 5.2527 8.5014 8.5014 8.9754 8.9754 15.7402 15.7402 16.1991 16.1991 k = 0.4341 0.4028-0.0000 ( 1060 PWs) bands (ev): -7.0481 -7.0481 -6.9392 -6.9392 -6.0030 -6.0030 -5.9245 -5.9245 -0.6679 -0.6679 -0.5840 -0.5840 4.6177 4.6177 5.2945 5.2945 8.4948 8.4948 8.9420 8.9420 15.9094 15.9094 16.3798 16.3798 k = 0.4302 0.4095-0.0000 ( 1060 PWs) bands (ev): -7.0160 -7.0160 -6.9075 -6.9075 -5.9728 -5.9728 -5.8951 -5.8951 -0.7965 -0.7965 -0.7102 -0.7102 4.6630 4.6630 5.3388 5.3388 8.4870 8.4870 8.9056 8.9056 16.0842 16.0842 16.5678 16.5678 k = 0.4264 0.4162-0.0000 ( 1060 PWs) bands (ev): -6.9821 -6.9821 -6.8740 -6.8740 -5.9412 -5.9412 -5.8643 -5.8643 -0.9286 -0.9286 -0.8398 -0.8398 4.7109 4.7109 5.3855 5.3855 8.4779 8.4779 8.8661 8.8661 16.2640 16.2640 16.7625 16.7625 k = 0.4225 0.4229-0.0000 ( 1060 PWs) bands (ev): -6.9464 -6.9464 -6.8386 -6.8386 -5.9082 -5.9082 -5.8323 -5.8323 -1.0637 -1.0637 -0.9725 -0.9725 4.7613 4.7613 5.4347 5.4347 8.4673 8.4673 8.8232 8.8232 16.4480 16.4480 16.9634 16.9634 k = 0.4186 0.4297-0.0000 ( 1056 PWs) bands (ev): -6.9089 -6.9089 -6.8015 -6.8015 -5.8739 -5.8739 -5.7992 -5.7992 -1.2014 -1.2014 -1.1079 -1.1079 4.8143 4.8143 5.4863 5.4863 8.4552 8.4552 8.7769 8.7769 16.6357 16.6357 17.1701 17.1701 k = 0.4147 0.4364-0.0000 ( 1048 PWs) bands (ev): -6.8695 -6.8695 -6.7625 -6.7625 -5.8384 -5.8384 -5.7649 -5.7649 -1.3410 -1.3410 -1.2455 -1.2455 4.8697 4.8697 5.5403 5.5403 8.4413 8.4413 8.7270 8.7270 16.8267 16.8267 17.3822 17.3822 k = 0.4109 0.4431-0.0000 ( 1052 PWs) bands (ev): -6.8284 -6.8284 -6.7218 -6.7218 -5.8019 -5.8019 -5.7298 -5.7298 -1.4830 -1.4830 -1.3850 -1.3850 4.9277 4.9277 5.5967 5.5967 8.4254 8.4254 8.6735 8.6735 17.0189 17.0189 17.5988 17.5988 k = 0.4070 0.4498-0.0000 ( 1052 PWs) bands (ev): -6.7854 -6.7854 -6.6793 -6.6793 -5.7644 -5.7644 -5.6939 -5.6939 -1.6258 -1.6258 -1.5259 -1.5259 4.9881 4.9881 5.6554 5.6554 8.4075 8.4075 8.6161 8.6161 17.2122 17.2122 17.8195 17.8195 k = 0.4031 0.4565-0.0000 ( 1056 PWs) bands (ev): -6.7406 -6.7406 -6.6350 -6.6350 -5.7262 -5.7262 -5.6575 -5.6575 -1.7695 -1.7695 -1.6678 -1.6678 5.0509 5.0509 5.7165 5.7165 8.3875 8.3875 8.5549 8.5549 17.4055 17.4055 18.0433 18.0433 k = 0.3992 0.4632-0.0000 ( 1060 PWs) bands (ev): -6.6940 -6.6940 -6.5888 -6.5888 -5.6874 -5.6874 -5.6207 -5.6207 -1.9134 -1.9134 -1.8103 -1.8103 5.1162 5.1162 5.7799 5.7799 8.3652 8.3652 8.4896 8.4896 17.5980 17.5980 18.2690 18.2690 k = 0.3953 0.4699-0.0000 ( 1056 PWs) bands (ev): -6.6456 -6.6456 -6.5409 -6.5409 -5.6482 -5.6482 -5.5839 -5.5839 -2.0570 -2.0570 -1.9527 -1.9527 5.1840 5.1840 5.8456 5.8456 8.3404 8.3404 8.4204 8.4204 17.7884 17.7884 18.4943 18.4943 k = 0.3915 0.4766-0.0000 ( 1060 PWs) bands (ev): -6.5953 -6.5953 -6.4912 -6.4912 -5.6089 -5.6089 -5.5473 -5.5473 -2.1999 -2.1999 -2.0949 -2.0949 5.2540 5.2540 5.9134 5.9134 8.3131 8.3131 8.3467 8.3467 17.9753 17.9753 18.7130 18.7130 k = 0.3876 0.4834-0.0000 ( 1060 PWs) bands (ev): -6.5433 -6.5433 -6.4397 -6.4397 -5.5699 -5.5699 -5.5115 -5.5115 -2.3414 -2.3414 -2.2361 -2.2361 5.3263 5.3263 5.9833 5.9833 8.2692 8.2692 8.2831 8.2831 18.1572 18.1572 18.8361 18.8361 k = 0.3837 0.4901-0.0000 ( 1056 PWs) bands (ev): -6.4894 -6.4894 -6.3863 -6.3863 -5.5315 -5.5315 -5.4767 -5.4767 -2.4807 -2.4807 -2.3756 -2.3756 5.4010 5.4010 6.0554 6.0554 8.1878 8.1878 8.2504 8.2504 18.3323 18.3323 18.7485 18.7492 k = 0.3798 0.4968-0.0000 ( 1058 PWs) bands (ev): -6.4338 -6.4338 -6.3313 -6.3313 -5.4943 -5.4943 -5.4439 -5.4439 -2.6171 -2.6171 -2.5129 -2.5129 5.4778 5.4778 6.1294 6.1294 8.1024 8.1024 8.2149 8.2149 18.4980 18.4980 18.6617 18.6617 k = 0.3760 0.5035-0.0000 ( 1056 PWs) bands (ev): -6.3764 -6.3764 -6.2744 -6.2744 -5.4589 -5.4589 -5.4137 -5.4137 -2.7496 -2.7496 -2.6472 -2.6472 5.5568 5.5568 6.2053 6.2053 8.0131 8.0131 8.1767 8.1767 18.5815 18.5815 18.5879 18.5879 k = 0.3721 0.5102-0.0000 ( 1057 PWs) bands (ev): -6.3172 -6.3172 -6.2158 -6.2158 -5.4260 -5.4260 -5.3870 -5.3870 -2.8773 -2.8773 -2.7774 -2.7774 5.6378 5.6378 6.2829 6.2829 7.9202 7.9202 8.1357 8.1357 18.5086 18.5086 18.5164 18.5164 k = 0.3682 0.5169-0.0000 ( 1057 PWs) bands (ev): -6.2562 -6.2562 -6.1554 -6.1554 -5.3967 -5.3967 -5.3651 -5.3651 -2.9986 -2.9986 -2.9026 -2.9026 5.7206 5.7206 6.3619 6.3619 7.8238 7.8238 8.0921 8.0921 18.4431 18.4431 18.4510 18.4510 k = 0.3643 0.5236-0.0000 ( 1059 PWs) bands (ev): -6.1935 -6.1935 -6.0933 -6.0933 -5.3721 -5.3721 -5.3492 -5.3492 -3.1121 -3.1121 -3.0215 -3.0215 5.8050 5.8050 6.4421 6.4421 7.7241 7.7241 8.0462 8.0462 18.3849 18.3849 18.3919 18.3919 k = 0.3605 0.5304-0.0000 ( 1055 PWs) bands (ev): -6.1290 -6.1290 -6.0295 -6.0295 -5.3534 -5.3534 -5.3409 -5.3409 -3.2162 -3.2162 -3.1324 -3.1324 5.8906 5.8906 6.5230 6.5230 7.6218 7.6218 7.9982 7.9982 18.3341 18.3341 18.3395 18.3395 k = 0.3566 0.5371-0.0000 ( 1055 PWs) bands (ev): -6.0629 -6.0629 -5.9640 -5.9640 -5.3423 -5.3423 -5.3418 -5.3418 -3.3089 -3.3089 -3.2338 -3.2338 5.9770 5.9770 6.6040 6.6040 7.5174 7.5174 7.9487 7.9487 18.2903 18.2903 18.2939 18.2939 k = 0.3527 0.5438-0.0000 ( 1055 PWs) bands (ev): -5.9951 -5.9951 -5.8969 -5.8969 -5.3537 -5.3537 -5.3403 -5.3403 -3.3886 -3.3886 -3.3240 -3.3240 6.0633 6.0633 6.6842 6.6842 7.4118 7.4118 7.8986 7.8986 18.2537 18.2537 18.2552 18.2552 k = 0.3488 0.5505-0.0000 ( 1055 PWs) bands (ev): -5.9257 -5.9257 -5.8282 -5.8282 -5.3779 -5.3779 -5.3491 -5.3491 -3.4536 -3.4536 -3.4010 -3.4010 6.1481 6.1481 6.7623 6.7623 7.3067 7.3067 7.8493 7.8493 18.2236 18.2236 18.2239 18.2239 k = 0.3450 0.5572-0.0000 ( 1059 PWs) bands (ev): -5.8550 -5.8550 -5.7582 -5.7582 -5.4153 -5.4153 -5.3700 -5.3700 -3.5028 -3.5028 -3.4633 -3.4633 6.2289 6.2289 6.8360 6.8360 7.2047 7.2047 7.8030 7.8030 18.1993 18.1993 18.2009 18.2009 k = 0.3411 0.5639-0.0000 ( 1061 PWs) bands (ev): -5.7836 -5.7836 -5.6875 -5.6875 -5.4658 -5.4658 -5.4034 -5.4034 -3.5356 -3.5356 -3.5097 -3.5097 6.3008 6.3008 6.9020 6.9020 7.1109 7.1109 7.7630 7.7630 18.1821 18.1821 18.1843 18.1843 k = 0.3372 0.5706-0.0000 ( 1065 PWs) bands (ev): -5.7142 -5.7142 -5.6186 -5.6186 -5.5263 -5.5263 -5.4474 -5.4474 -3.5522 -3.5522 -3.5397 -3.5397 6.3548 6.3548 6.9554 6.9554 7.0343 7.0343 7.7346 7.7346 18.1724 18.1724 18.1741 18.1741 k = 0.3333 0.5774-0.0000 ( 1065 PWs) bands (ev): -5.6700 -5.6700 -5.5736 -5.5736 -5.5716 -5.5716 -5.4804 -5.4804 -3.5535 -3.5535 -3.5535 -3.5535 6.3764 6.3764 6.9900 6.9900 6.9900 6.9900 7.7238 7.7238 18.1699 18.1699 18.1699 18.1699 k = 0.3333 0.5774-0.0000 ( 1065 PWs) bands (ev): -5.6700 -5.6700 -5.5736 -5.5736 -5.5716 -5.5716 -5.4804 -5.4804 -3.5535 -3.5535 -3.5535 -3.5535 6.3764 6.3764 6.9900 6.9900 6.9900 6.9900 7.7238 7.7238 18.1699 18.1699 18.1699 18.1699 k = 0.3294 0.5706-0.0000 ( 1065 PWs) bands (ev): -5.7241 -5.7241 -5.6144 -5.6144 -5.5305 -5.5305 -5.4368 -5.4368 -3.5519 -3.5519 -3.5406 -3.5406 6.3518 6.3518 6.9912 6.9912 6.9999 6.9999 7.7363 7.7363 18.1716 18.1716 18.1749 18.1749 k = 0.3255 0.5638-0.0000 ( 1065 PWs) bands (ev): -5.8195 -5.8195 -5.6967 -5.6967 -5.4554 -5.4554 -5.3624 -5.3624 -3.5360 -3.5360 -3.5151 -3.5151 6.2832 6.2832 6.9829 6.9829 7.0366 7.0366 7.7749 7.7749 18.1789 18.1789 18.1874 18.1874 k = 0.3216 0.5570-0.0000 ( 1061 PWs) bands (ev): -5.9274 -5.9274 -5.7932 -5.7932 -5.3743 -5.3743 -5.2820 -5.2820 -3.5076 -3.5076 -3.4784 -3.4784 6.1848 6.1848 6.9420 6.9420 7.1120 7.1120 7.8364 7.8364 18.1916 18.1916 18.2073 18.2073 k = 0.3176 0.5502-0.0000 ( 1057 PWs) bands (ev): -6.0432 -6.0432 -5.8990 -5.8990 -5.2902 -5.2902 -5.1988 -5.1988 -3.4682 -3.4682 -3.4325 -3.4325 6.0690 6.0690 6.8826 6.8826 7.2054 7.2054 7.9157 7.9157 18.2094 18.2094 18.2346 18.2346 k = 0.3137 0.5434-0.0000 ( 1057 PWs) bands (ev): -6.1648 -6.1648 -6.0120 -6.0120 -5.2038 -5.2038 -5.1133 -5.1133 -3.4194 -3.4194 -3.3783 -3.3783 5.9427 5.9427 6.8096 6.8096 7.3098 7.3098 8.0077 8.0077 18.2319 18.2319 18.2691 18.2691 k = 0.3098 0.5366-0.0000 ( 1049 PWs) bands (ev): -6.2908 -6.2908 -6.1305 -6.1305 -5.1154 -5.1154 -5.0256 -5.0256 -3.3624 -3.3624 -3.3172 -3.3172 5.8097 5.8097 6.7269 6.7269 7.4217 7.4217 8.1091 8.1091 18.2588 18.2588 18.3108 18.3108 k = 0.3059 0.5298-0.0000 ( 1051 PWs) bands (ev): -6.4201 -6.4201 -6.2533 -6.2533 -5.0251 -5.0251 -4.9362 -4.9362 -3.2986 -3.2986 -3.2501 -3.2501 5.6723 5.6723 6.6367 6.6367 7.5390 7.5390 8.2176 8.2176 18.2898 18.2898 18.3596 18.3596 k = 0.3020 0.5230-0.0000 ( 1051 PWs) bands (ev): -6.5519 -6.5519 -6.3792 -6.3792 -4.9330 -4.9330 -4.8450 -4.8450 -3.2289 -3.2289 -3.1778 -3.1778 5.5317 5.5317 6.5406 6.5406 7.6607 7.6607 8.3316 8.3316 18.3244 18.3244 18.4152 18.4152 k = 0.2980 0.5162-0.0000 ( 1053 PWs) bands (ev): -6.6855 -6.6855 -6.5075 -6.5075 -4.8391 -4.8391 -4.7520 -4.7520 -3.1539 -3.1539 -3.1009 -3.1009 5.3888 5.3888 6.4400 6.4400 7.7861 7.7861 8.4501 8.4501 18.3624 18.3624 18.4777 18.4777 k = 0.2941 0.5094-0.0000 ( 1055 PWs) bands (ev): -6.8203 -6.8203 -6.6376 -6.6376 -4.7435 -4.7435 -4.6571 -4.6571 -3.0744 -3.0744 -3.0199 -3.0199 5.2439 5.2439 6.3356 6.3356 7.9147 7.9147 8.5726 8.5726 18.3570 18.3570 18.4035 18.4035 k = 0.2902 0.5026-0.0000 ( 1057 PWs) bands (ev): -6.9559 -6.9559 -6.7688 -6.7688 -4.6460 -4.6460 -4.5606 -4.5606 -2.9909 -2.9909 -2.9352 -2.9352 5.0980 5.0980 6.2280 6.2280 8.0463 8.0463 8.6985 8.6985 18.2108 18.2108 18.4471 18.4471 k = 0.2863 0.4958-0.0000 ( 1053 PWs) bands (ev): -7.0917 -7.0917 -6.9006 -6.9006 -4.5468 -4.5468 -4.4622 -4.4622 -2.9038 -2.9038 -2.8472 -2.8472 4.9511 4.9511 6.1179 6.1179 8.1810 8.1810 8.8275 8.8275 18.0609 18.0609 18.4929 18.4929 k = 0.2824 0.4890-0.0000 ( 1053 PWs) bands (ev): -7.2277 -7.2277 -7.0327 -7.0327 -4.4459 -4.4459 -4.3622 -4.3622 -2.8135 -2.8135 -2.7563 -2.7563 4.8036 4.8036 6.0055 6.0055 8.3179 8.3179 8.9593 8.9593 17.9083 17.9083 18.5405 18.5405 k = 0.2784 0.4823-0.0000 ( 1053 PWs) bands (ev): -7.3634 -7.3634 -7.1649 -7.1649 -4.3432 -4.3432 -4.2604 -4.2604 -2.7202 -2.7202 -2.6627 -2.6627 4.6557 4.6557 5.8911 5.8911 8.4573 8.4573 9.0938 9.0938 17.7536 17.7536 18.5894 18.5894 k = 0.2745 0.4755-0.0000 ( 1053 PWs) bands (ev): -7.4987 -7.4987 -7.2968 -7.2968 -4.2389 -4.2389 -4.1570 -4.1570 -2.6242 -2.6242 -2.5665 -2.5665 4.5077 4.5077 5.7752 5.7752 8.5990 8.5990 9.2307 9.2307 17.5975 17.5975 18.6393 18.6393 k = 0.2706 0.4687-0.0000 ( 1053 PWs) bands (ev): -7.6334 -7.6334 -7.4283 -7.4283 -4.1328 -4.1328 -4.0518 -4.0518 -2.5257 -2.5257 -2.4680 -2.4680 4.3596 4.3596 5.6581 5.6581 8.7431 8.7431 9.3700 9.3700 17.4405 17.4405 18.6897 18.6897 k = 0.2667 0.4619-0.0000 ( 1049 PWs) bands (ev): -7.7673 -7.7673 -7.5592 -7.5592 -4.0251 -4.0251 -3.9449 -3.9449 -2.4249 -2.4249 -2.3671 -2.3671 4.2119 4.2119 5.5397 5.5397 8.8893 8.8893 9.5115 9.5115 17.2829 17.2829 18.7401 18.7401 k = 0.2627 0.4551-0.0000 ( 1049 PWs) bands (ev): -7.9003 -7.9003 -7.6892 -7.6892 -3.9157 -3.9157 -3.8364 -3.8364 -2.3220 -2.3220 -2.2645 -2.2645 4.0644 4.0644 5.4205 5.4205 9.0376 9.0376 9.6552 9.6552 17.1252 17.1252 18.7901 18.7901 k = 0.2588 0.4483-0.0000 ( 1045 PWs) bands (ev): -8.0323 -8.0323 -7.8183 -7.8183 -3.8045 -3.8045 -3.7263 -3.7263 -2.2171 -2.2171 -2.1599 -2.1599 3.9175 3.9175 5.3006 5.3006 9.1881 9.1881 9.8010 9.8010 16.9678 16.9678 18.8393 18.8393 k = 0.2549 0.4415-0.0000 ( 1045 PWs) bands (ev): -8.1632 -8.1632 -7.9464 -7.9464 -3.6918 -3.6918 -3.6146 -3.6146 -2.1103 -2.1103 -2.0535 -2.0535 3.7713 3.7713 5.1803 5.1803 9.3405 9.3405 9.9488 9.9488 16.8108 16.8108 18.8871 18.8871 k = 0.2510 0.4347-0.0000 ( 1049 PWs) bands (ev): -8.2928 -8.2928 -8.0733 -8.0733 -3.5775 -3.5775 -3.5012 -3.5012 -2.0018 -2.0018 -1.9455 -1.9455 3.6258 3.6258 5.0596 5.0596 9.4948 9.4948 10.0984 10.0984 16.6545 16.6545 18.9094 18.9095 k = 0.2471 0.4279-0.0000 ( 1049 PWs) bands (ev): -8.4211 -8.4211 -8.1990 -8.1990 -3.4616 -3.4616 -3.3863 -3.3863 -1.8917 -1.8917 -1.8359 -1.8359 3.4813 3.4813 4.9388 4.9388 9.6511 9.6511 10.2500 10.2500 16.4992 16.4992 18.8287 18.8287 k = 0.2431 0.4211-0.0000 ( 1047 PWs) bands (ev): -8.5480 -8.5480 -8.3235 -8.3235 -3.3440 -3.3440 -3.2697 -3.2697 -1.7800 -1.7800 -1.7248 -1.7248 3.3375 3.3375 4.8181 4.8181 9.8093 9.8093 10.4035 10.4035 16.3450 16.3450 18.7448 18.7448 k = 0.2392 0.4143-0.0000 ( 1047 PWs) bands (ev): -8.6735 -8.6735 -8.4465 -8.4465 -3.2249 -3.2249 -3.1517 -3.1517 -1.6670 -1.6670 -1.6124 -1.6124 3.1951 3.1951 4.6976 4.6976 9.9692 9.9692 10.5585 10.5585 16.1922 16.1922 18.6583 18.6583 k = 0.2353 0.4075-0.0000 ( 1047 PWs) bands (ev): -8.7974 -8.7974 -8.5681 -8.5681 -3.1044 -3.1044 -3.0321 -3.0321 -1.5526 -1.5526 -1.4986 -1.4986 3.0539 3.0539 4.5774 4.5774 10.1308 10.1308 10.7152 10.7152 16.0407 16.0407 18.5693 18.5693 k = 0.2314 0.4007-0.0000 ( 1055 PWs) bands (ev): -8.9198 -8.9198 -8.6881 -8.6881 -2.9823 -2.9823 -2.9110 -2.9110 -1.4370 -1.4370 -1.3837 -1.3837 2.9140 2.9140 4.4576 4.4576 10.2941 10.2941 10.8734 10.8734 15.8908 15.8908 18.4781 18.4781 k = 0.2275 0.3940-0.0000 ( 1051 PWs) bands (ev): -9.0406 -9.0406 -8.8066 -8.8066 -2.8586 -2.8586 -2.7884 -2.7884 -1.3202 -1.3202 -1.2676 -1.2676 2.7754 2.7754 4.3384 4.3384 10.4590 10.4590 11.0334 11.0334 15.7425 15.7425 18.3857 18.3857 k = 0.2235 0.3872-0.0000 ( 1051 PWs) bands (ev): -9.1598 -9.1598 -8.9235 -8.9235 -2.7335 -2.7335 -2.6643 -2.6643 -1.2023 -1.2023 -1.1505 -1.1505 2.6383 2.6383 4.2199 4.2199 10.6255 10.6255 11.1946 11.1946 15.5961 15.5961 18.2921 18.2921 k = 0.2196 0.3804-0.0000 ( 1051 PWs) bands (ev): -9.2772 -9.2772 -9.0388 -9.0388 -2.6070 -2.6070 -2.5388 -2.5388 -1.0835 -1.0835 -1.0323 -1.0323 2.5028 2.5028 4.1021 4.1021 10.7933 10.7933 11.3572 11.3572 15.4514 15.4514 18.1976 18.1976 k = 0.2157 0.3736-0.0000 ( 1051 PWs) bands (ev): -9.3929 -9.3929 -9.1524 -9.1524 -2.4791 -2.4791 -2.4118 -2.4118 -0.9637 -0.9637 -0.9133 -0.9133 2.3688 2.3688 3.9853 3.9853 10.9626 10.9626 11.5211 11.5211 15.3088 15.3088 18.1027 18.1027 k = 0.2118 0.3668-0.0000 ( 1051 PWs) bands (ev): -9.5069 -9.5069 -9.2643 -9.2643 -2.3498 -2.3498 -2.2835 -2.2835 -0.8430 -0.8430 -0.7935 -0.7935 2.2366 2.2366 3.8694 3.8694 11.1332 11.1332 11.6862 11.6862 15.1681 15.1681 18.0075 18.0075 k = 0.2078 0.3600-0.0000 ( 1047 PWs) bands (ev): -9.6191 -9.6191 -9.3744 -9.3744 -2.2190 -2.2190 -2.1537 -2.1537 -0.7216 -0.7216 -0.6729 -0.6729 2.1060 2.1060 3.7546 3.7546 11.3051 11.3051 11.8525 11.8525 15.0295 15.0295 17.9123 17.9123 k = 0.2039 0.3532-0.0000 ( 1047 PWs) bands (ev): -9.7295 -9.7295 -9.4828 -9.4828 -2.0870 -2.0870 -2.0227 -2.0227 -0.5996 -0.5996 -0.5516 -0.5516 1.9773 1.9773 3.6410 3.6410 11.4782 11.4782 12.0198 12.0198 14.8930 14.8930 17.8174 17.8174 k = 0.2000 0.3464-0.0000 ( 1047 PWs) bands (ev): -9.8381 -9.8381 -9.5894 -9.5894 -1.9537 -1.9537 -1.8904 -1.8904 -0.4769 -0.4769 -0.4298 -0.4298 1.8503 1.8503 3.5286 3.5286 11.6523 11.6523 12.1881 12.1881 14.7588 14.7588 17.7231 17.7231 k = 0.1961 0.3396-0.0000 ( 1047 PWs) bands (ev): -9.9448 -9.9448 -9.6941 -9.6941 -1.8192 -1.8192 -1.7569 -1.7569 -0.3538 -0.3538 -0.3076 -0.3076 1.7253 1.7253 3.4175 3.4175 11.8275 11.8275 12.3573 12.3573 14.6267 14.6267 17.6294 17.6294 k = 0.1922 0.3328-0.0000 ( 1047 PWs) bands (ev): -10.0496 -10.0496 -9.7970 -9.7970 -1.6834 -1.6834 -1.6222 -1.6222 -0.2302 -0.2302 -0.1849 -0.1849 1.6022 1.6022 3.3079 3.3079 12.0035 12.0035 12.5273 12.5273 14.4969 14.4969 17.5367 17.5367 k = 0.1882 0.3260-0.0000 ( 1051 PWs) bands (ev): -10.1525 -10.1525 -9.8981 -9.8981 -1.5465 -1.5465 -1.4863 -1.4863 -0.1064 -0.1064 -0.0619 -0.0619 1.4811 1.4811 3.1995 3.1995 12.1804 12.1804 12.6979 12.6979 14.3695 14.3695 17.4450 17.4450 k = 0.1843 0.3192-0.0000 ( 1053 PWs) bands (ev): -10.2535 -10.2535 -9.9973 -9.9973 -1.4084 -1.4084 -1.3493 -1.3493 0.0178 0.0178 0.0614 0.0614 1.3620 1.3620 3.0928 3.0928 12.3580 12.3580 12.8692 12.8692 14.2444 14.2444 17.3545 17.3545 k = 0.1804 0.3124-0.0000 ( 1057 PWs) bands (ev): -10.3526 -10.3526 -10.0946 -10.0946 -1.2693 -1.2693 -1.2112 -1.2112 0.1420 0.1420 0.1847 0.1847 1.2450 1.2450 2.9877 2.9877 12.5362 12.5362 13.0409 13.0409 14.1217 14.1217 17.2654 17.2654 k = 0.1765 0.3057-0.0000 ( 1061 PWs) bands (ev): -10.4497 -10.4497 -10.1899 -10.1899 -1.1292 -1.1292 -1.0721 -1.0721 0.2663 0.2663 0.3082 0.3082 1.1301 1.1301 2.8842 2.8842 12.7149 12.7149 13.2130 13.2130 14.0013 14.0013 17.1777 17.1777 k = 0.1725 0.2989-0.0000 ( 1057 PWs) bands (ev): -10.5448 -10.5448 -10.2834 -10.2834 -0.9879 -0.9879 -0.9320 -0.9320 0.3906 0.3906 0.4316 0.4316 1.0173 1.0173 2.7824 2.7824 12.8940 12.8940 13.3854 13.3854 13.8835 13.8835 17.0917 17.0917 k = 0.1686 0.2921-0.0000 ( 1057 PWs) bands (ev): -10.6380 -10.6380 -10.3748 -10.3748 -0.8459 -0.8459 -0.7910 -0.7910 0.5147 0.5147 0.5548 0.5548 0.9067 0.9067 2.6824 2.6824 13.0734 13.0734 13.5580 13.5580 13.7681 13.7681 17.0074 17.0074 k = 0.1647 0.2853-0.0000 ( 1057 PWs) bands (ev): -10.7291 -10.7291 -10.4643 -10.4643 -0.7031 -0.7031 -0.6492 -0.6492 0.6386 0.6386 0.6777 0.6777 0.7984 0.7984 2.5841 2.5841 13.2529 13.2529 13.6552 13.6552 13.7305 13.7305 16.9249 16.9249 k = 0.1608 0.2785-0.0000 ( 1057 PWs) bands (ev): -10.8182 -10.8182 -10.5518 -10.5518 -0.5594 -0.5594 -0.5066 -0.5066 0.6922 0.6922 0.7621 0.7621 0.8004 0.8004 2.4877 2.4877 13.4325 13.4325 13.5448 13.5448 13.9030 13.9030 16.8442 16.8442 k = 0.1569 0.2717-0.0000 ( 1057 PWs) bands (ev): -10.9053 -10.9053 -10.6374 -10.6374 -0.4151 -0.4151 -0.3633 -0.3633 0.5883 0.5883 0.8851 0.8851 0.9225 0.9225 2.3932 2.3932 13.4369 13.4369 13.6119 13.6119 14.0752 14.0752 16.7655 16.7655 k = 0.1529 0.2649-0.0000 ( 1057 PWs) bands (ev): -10.9904 -10.9904 -10.7209 -10.7209 -0.2702 -0.2702 -0.2194 -0.2194 0.4867 0.4867 1.0076 1.0076 1.0441 1.0441 2.3006 2.3006 13.3316 13.3316 13.7911 13.7911 14.2470 14.2470 16.6887 16.6887 k = 0.1490 0.2581-0.0000 ( 1057 PWs) bands (ev): -11.0735 -11.0735 -10.8024 -10.8024 -0.1246 -0.1246 -0.0748 -0.0748 0.3875 0.3875 1.1294 1.1294 1.1651 1.1651 2.2098 2.2098 13.2288 13.2288 13.9699 13.9699 14.4182 14.4182 16.6141 16.6141 k = 0.1451 0.2513-0.0000 ( 1057 PWs) bands (ev): -11.1545 -11.1545 -10.8820 -10.8820 0.0213 0.0213 0.0701 0.0701 0.2905 0.2905 1.2503 1.2503 1.2852 1.2852 2.1211 2.1211 13.1287 13.1287 14.1480 14.1480 14.5888 14.5888 16.5416 16.5416 k = 0.1412 0.2445-0.0000 ( 1055 PWs) bands (ev): -11.2334 -11.2334 -10.9594 -10.9594 0.1677 0.1677 0.1960 0.1960 0.2156 0.2156 1.3704 1.3704 1.4045 1.4045 2.0345 2.0345 13.0311 13.0311 14.3256 14.3256 14.7586 14.7586 16.4712 16.4712 k = 0.1373 0.2377-0.0000 ( 1055 PWs) bands (ev): -11.3102 -11.3102 -11.0349 -11.0349 0.1038 0.1038 0.3142 0.3142 0.3610 0.3610 1.4894 1.4894 1.5227 1.5227 1.9500 1.9500 12.9362 12.9362 14.5021 14.5021 14.9273 14.9273 16.4030 16.4030 k = 0.1333 0.2309-0.0000 ( 1053 PWs) bands (ev): -11.3849 -11.3849 -11.1083 -11.1083 0.0140 0.0140 0.4609 0.4609 0.5066 0.5066 1.6072 1.6072 1.6397 1.6397 1.8675 1.8675 12.8438 12.8438 14.6775 14.6775 15.0948 15.0948 16.3371 16.3371 k = 0.1294 0.2241-0.0000 ( 1053 PWs) bands (ev): -11.4576 -11.4576 -11.1796 -11.1796 -0.0733 -0.0733 0.6075 0.6075 0.6522 0.6522 1.7237 1.7237 1.7554 1.7554 1.7873 1.7873 12.7541 12.7541 14.8516 14.8516 15.2610 15.2610 16.2734 16.2734 k = 0.1255 0.2174-0.0000 ( 1053 PWs) bands (ev): -11.5281 -11.5281 -11.2489 -11.2489 -0.1582 -0.1582 0.7540 0.7540 0.7977 0.7977 1.7090 1.7090 1.8388 1.8388 1.8697 1.8697 12.6671 12.6671 15.0243 15.0243 15.4256 15.4256 16.2121 16.2121 k = 0.1216 0.2106-0.0000 ( 1049 PWs) bands (ev): -11.5966 -11.5966 -11.3161 -11.3161 -0.2406 -0.2406 0.9003 0.9003 0.9430 0.9430 1.6330 1.6330 1.9524 1.9524 1.9826 1.9826 12.5827 12.5827 15.1954 15.1954 15.5885 15.5885 16.1530 16.1530 k = 0.1176 0.2038-0.0000 ( 1047 PWs) bands (ev): -11.6628 -11.6628 -11.3812 -11.3812 -0.3206 -0.3206 1.0462 1.0462 1.0878 1.0878 1.5594 1.5594 2.0642 2.0642 2.0937 2.0937 12.5010 12.5010 15.3644 15.3644 15.7494 15.7494 16.0963 16.0963 k = 0.1137 0.1970-0.0000 ( 1047 PWs) bands (ev): -11.7270 -11.7270 -11.4443 -11.4443 -0.3980 -0.3980 1.1915 1.1915 1.2321 1.2321 1.4878 1.4878 2.1742 2.1742 2.2029 2.2029 12.4219 12.4219 15.5314 15.5314 15.9081 15.9081 16.0420 16.0420 k = 0.1098 0.1902-0.0000 ( 1051 PWs) bands (ev): -11.7891 -11.7891 -11.5052 -11.5052 -0.4730 -0.4730 1.3361 1.3361 1.3755 1.3755 1.4185 1.4185 2.2822 2.2822 2.3102 2.3102 12.3455 12.3455 15.6960 15.6960 15.9898 15.9898 16.0646 16.0646 k = 0.1059 0.1834-0.0000 ( 1051 PWs) bands (ev): -11.8491 -11.8491 -11.5641 -11.5641 -0.5454 -0.5454 1.3514 1.3514 1.4798 1.4798 1.5182 1.5182 2.3881 2.3881 2.4154 2.4154 12.2718 12.2718 15.8580 15.8580 15.9402 15.9402 16.0866 16.0866 k = 0.1020 0.1766-0.0000 ( 1055 PWs) bands (ev): -11.9069 -11.9069 -11.6209 -11.6209 -0.6153 -0.6153 1.2866 1.2866 1.6223 1.6223 1.6596 1.6596 2.4918 2.4918 2.5184 2.5184 12.2008 12.2008 15.8928 15.8928 16.0168 16.0168 16.0344 16.0344 k = 0.0980 0.1698-0.0000 ( 1057 PWs) bands (ev): -11.9626 -11.9626 -11.6755 -11.6755 -0.6827 -0.6827 1.2241 1.2241 1.7636 1.7636 1.7999 1.7999 2.5931 2.5931 2.6190 2.6190 12.1324 12.1324 15.8478 15.8478 15.9838 15.9838 16.1733 16.1733 k = 0.0941 0.1630-0.0000 ( 1057 PWs) bands (ev): -12.0161 -12.0161 -11.7281 -11.7281 -0.7475 -0.7475 1.1639 1.1639 1.9033 1.9033 1.9385 1.9385 2.6918 2.6918 2.7172 2.7172 12.0668 12.0668 15.8051 15.8051 15.9360 15.9360 16.3261 16.3261 k = 0.0902 0.1562-0.0000 ( 1053 PWs) bands (ev): -12.0675 -12.0675 -11.7785 -11.7785 -0.8097 -0.8097 1.1062 1.1062 2.0413 2.0413 2.0756 2.0756 2.7879 2.7879 2.8126 2.8126 12.0038 12.0038 15.7647 15.7647 15.8906 15.8906 16.4756 16.4756 k = 0.0863 0.1494-0.0000 ( 1053 PWs) bands (ev): -12.1167 -12.1167 -11.8268 -11.8268 -0.8693 -0.8693 1.0507 1.0507 2.1773 2.1773 2.2105 2.2105 2.8812 2.8812 2.9053 2.9053 11.9436 11.9436 15.7265 15.7265 15.8474 15.8474 16.6210 16.6210 k = 0.0824 0.1426-0.0000 ( 1053 PWs) bands (ev): -12.1638 -12.1638 -11.8730 -11.8730 -0.9264 -0.9264 0.9976 0.9976 2.3109 2.3109 2.3431 2.3431 2.9714 2.9714 2.9951 2.9951 11.8860 11.8860 15.6906 15.6906 15.8066 15.8066 16.7624 16.7624 k = 0.0784 0.1358-0.0000 ( 1049 PWs) bands (ev): -12.2086 -12.2086 -11.9171 -11.9171 -0.9808 -0.9808 0.9470 0.9470 2.4419 2.4419 2.4731 2.4731 3.0588 3.0588 3.0818 3.0818 11.8312 11.8312 15.6568 15.6568 15.7680 15.7680 16.8073 16.8074 k = 0.0745 0.1291-0.0000 ( 1053 PWs) bands (ev): -12.2514 -12.2514 -11.9590 -11.9590 -1.0327 -1.0327 0.8987 0.8987 2.5700 2.5700 2.6002 2.6002 3.1426 3.1426 3.1652 3.1652 11.7790 11.7790 15.6251 15.6251 15.7316 15.7316 16.7021 16.7021 k = 0.0706 0.1223-0.0000 ( 1055 PWs) bands (ev): -12.2919 -12.2919 -11.9988 -11.9988 -1.0819 -1.0819 0.8528 0.8528 2.6949 2.6949 2.7241 2.7241 3.2232 3.2232 3.2453 3.2453 11.7296 11.7296 15.5955 15.5955 15.6973 15.6973 16.5962 16.5963 k = 0.0667 0.1155-0.0000 ( 1055 PWs) bands (ev): -12.3303 -12.3303 -12.0365 -12.0365 -1.1285 -1.1285 0.8093 0.8093 2.8162 2.8162 2.8445 2.8445 3.3003 3.3003 3.3220 3.3220 11.6828 11.6828 15.5680 15.5680 15.6653 15.6653 16.4904 16.4905 k = 0.0627 0.1087-0.0000 ( 1059 PWs) bands (ev): -12.3665 -12.3665 -12.0721 -12.0721 -1.1725 -1.1725 0.7683 0.7683 2.9336 2.9336 2.9608 2.9608 3.3737 3.3737 3.3950 3.3950 11.6388 11.6388 15.5425 15.5425 15.6350 15.6350 16.3853 16.3853 k = 0.0588 0.1019-0.0000 ( 1055 PWs) bands (ev): -12.4005 -12.4005 -12.1054 -12.1054 -1.2139 -1.2139 0.7297 0.7297 3.0472 3.0472 3.0732 3.0732 3.4436 3.4436 3.4644 3.4644 11.5974 11.5974 15.5193 15.5193 15.6072 15.6072 16.2816 16.2816 k = 0.0549 0.0951-0.0000 ( 1055 PWs) bands (ev): -12.4323 -12.4323 -12.1367 -12.1367 -1.2526 -1.2526 0.6936 0.6936 3.1557 3.1557 3.1808 3.1808 3.5094 3.5094 3.5298 3.5298 11.5587 11.5587 15.4977 15.4977 15.5815 15.5815 16.1801 16.1801 k = 0.0510 0.0883-0.0000 ( 1055 PWs) bands (ev): -12.4620 -12.4620 -12.1658 -12.1658 -1.2886 -1.2886 0.6599 0.6599 3.2592 3.2592 3.2834 3.2834 3.5712 3.5712 3.5913 3.5913 11.5227 11.5227 15.4780 15.4780 15.5577 15.5577 16.0814 16.0814 k = 0.0471 0.0815-0.0000 ( 1055 PWs) bands (ev): -12.4894 -12.4894 -12.1928 -12.1928 -1.3221 -1.3221 0.6287 0.6287 3.3572 3.3572 3.3805 3.3805 3.6290 3.6290 3.6487 3.6487 11.4894 11.4894 15.4601 15.4601 15.5359 15.5359 15.9864 15.9864 k = 0.0431 0.0747-0.0000 ( 1055 PWs) bands (ev): -12.5147 -12.5147 -12.2176 -12.2176 -1.3528 -1.3528 0.5999 0.5999 3.4493 3.4493 3.4719 3.4719 3.6825 3.6825 3.7020 3.7020 11.4588 11.4588 15.4439 15.4439 15.5161 15.5161 15.8958 15.8958 k = 0.0392 0.0679-0.0000 ( 1059 PWs) bands (ev): -12.5378 -12.5378 -12.2402 -12.2402 -1.3809 -1.3809 0.5737 0.5737 3.5350 3.5350 3.5569 3.5569 3.7316 3.7316 3.7509 3.7509 11.4309 11.4309 15.4289 15.4289 15.4980 15.4980 15.8101 15.8101 k = 0.0353 0.0611-0.0000 ( 1055 PWs) bands (ev): -12.5587 -12.5587 -12.2607 -12.2607 -1.4063 -1.4063 0.5499 0.5499 3.6143 3.6143 3.6354 3.6354 3.7765 3.7765 3.7955 3.7955 11.4056 11.4056 15.4160 15.4160 15.4819 15.4819 15.7304 15.7304 k = 0.0314 0.0543-0.0000 ( 1051 PWs) bands (ev): -12.5774 -12.5774 -12.2790 -12.2790 -1.4290 -1.4290 0.5286 0.5286 3.6864 3.6864 3.7068 3.7068 3.8169 3.8169 3.8356 3.8356 11.3830 11.3830 15.4047 15.4047 15.4675 15.4675 15.6572 15.6572 k = 0.0275 0.0475-0.0000 ( 1051 PWs) bands (ev): -12.5939 -12.5939 -12.2952 -12.2952 -1.4491 -1.4491 0.5098 0.5098 3.7510 3.7510 3.7709 3.7709 3.8527 3.8527 3.8713 3.8713 11.3631 11.3631 15.3948 15.3948 15.4550 15.4550 15.5909 15.5909 k = 0.0235 0.0408-0.0000 ( 1051 PWs) bands (ev): -12.6082 -12.6082 -12.3092 -12.3092 -1.4665 -1.4665 0.4935 0.4935 3.8080 3.8080 3.8272 3.8272 3.8838 3.8838 3.9023 3.9023 11.3459 11.3459 15.3863 15.3863 15.4442 15.4442 15.5323 15.5323 k = 0.0196 0.0340-0.0000 ( 1055 PWs) bands (ev): -12.6203 -12.6203 -12.3211 -12.3211 -1.4812 -1.4812 0.4797 0.4797 3.8564 3.8564 3.8752 3.8752 3.9104 3.9104 3.9287 3.9287 11.3313 11.3313 15.3791 15.3792 15.4350 15.4351 15.4819 15.4819 k = 0.0157 0.0272-0.0000 ( 1055 PWs) bands (ev): -12.6302 -12.6302 -12.3309 -12.3309 -1.4933 -1.4933 0.4684 0.4684 3.8965 3.8965 3.9147 3.9147 3.9325 3.9325 3.9504 3.9504 11.3193 11.3193 15.3733 15.3733 15.4273 15.4274 15.4402 15.4402 k = 0.0118 0.0204-0.0000 ( 1055 PWs) bands (ev): -12.6379 -12.6379 -12.3384 -12.3384 -1.5027 -1.5027 0.4596 0.4596 3.9277 3.9277 3.9448 3.9448 3.9506 3.9506 3.9677 3.9677 11.3100 11.3100 15.3687 15.3688 15.4068 15.4068 15.4221 15.4221 k = 0.0078 0.0136-0.0000 ( 1051 PWs) bands (ev): -12.6434 -12.6434 -12.3438 -12.3438 -1.5093 -1.5093 0.4534 0.4534 3.9496 3.9496 3.9618 3.9618 3.9683 3.9683 3.9806 3.9806 11.3034 11.3034 15.3653 15.3653 15.3839 15.3839 15.4174 15.4176 k = 0.0039 0.0068-0.0000 ( 1049 PWs) bands (ev): -12.6467 -12.6467 -12.3470 -12.3470 -1.5133 -1.5133 0.4496 0.4496 3.9617 3.9617 3.9711 3.9711 3.9800 3.9800 3.9894 3.9894 11.2994 11.2994 15.3622 15.3622 15.3710 15.3710 15.4134 15.4136 k = 0.0000 0.0000 0.0000 ( 1045 PWs) bands (ev): -12.6478 -12.6478 -12.3481 -12.3481 -1.5147 -1.5147 0.4484 0.4484 3.9655 3.9655 3.9746 3.9746 3.9837 3.9837 3.9929 3.9929 11.2981 11.2981 15.3601 15.3601 15.3678 15.3678 15.4114 15.4116 k = 0.0000 0.0000 0.0000 ( 1045 PWs) bands (ev): -12.6478 -12.6478 -12.3481 -12.3481 -1.5147 -1.5147 0.4484 0.4484 3.9655 3.9655 3.9746 3.9746 3.9837 3.9837 3.9929 3.9929 11.2981 11.2981 15.3601 15.3601 15.3678 15.3678 15.4114 15.4114 k = 0.0000 0.0000 0.0076 ( 1045 PWs) bands (ev): -12.6475 -12.6475 -12.3484 -12.3484 -1.5129 -1.5129 0.4457 0.4457 3.9655 3.9655 3.9746 3.9746 3.9837 3.9837 3.9929 3.9929 11.3035 11.3035 15.3601 15.3601 15.3679 15.3679 15.4113 15.4113 k = 0.0000 0.0000 0.0153 ( 1051 PWs) bands (ev): -12.6466 -12.6466 -12.3494 -12.3494 -1.5076 -1.5076 0.4379 0.4379 3.9654 3.9654 3.9746 3.9746 3.9833 3.9833 3.9925 3.9925 11.3197 11.3197 15.3602 15.3602 15.3679 15.3679 15.4108 15.4110 k = 0.0000 0.0000 0.0229 ( 1057 PWs) bands (ev): -12.6451 -12.6451 -12.3512 -12.3512 -1.4989 -1.4989 0.4249 0.4249 3.9655 3.9655 3.9746 3.9746 3.9832 3.9832 3.9924 3.9924 11.3467 11.3467 15.3601 15.3601 15.3678 15.3679 15.4106 15.4108 k = 0.0000 0.0000 0.0306 ( 1058 PWs) bands (ev): -12.6430 -12.6430 -12.3536 -12.3536 -1.4867 -1.4867 0.4068 0.4068 3.9656 3.9656 3.9748 3.9748 3.9831 3.9831 3.9923 3.9923 11.3843 11.3843 15.3605 15.3605 15.3682 15.3682 15.4101 15.4101 k = 0.0000 0.0000 0.0382 ( 1058 PWs) bands (ev): -12.6403 -12.6403 -12.3567 -12.3567 -1.4710 -1.4710 0.3838 0.3838 3.9658 3.9658 3.9750 3.9750 3.9829 3.9829 3.9921 3.9921 11.4323 11.4323 15.3609 15.3609 15.3687 15.3687 15.4096 15.4096 k = 0.0000 0.0000 0.0459 ( 1070 PWs) bands (ev): -12.6371 -12.6371 -12.3604 -12.3604 -1.4520 -1.4520 0.3561 0.3561 3.9657 3.9657 3.9749 3.9749 3.9826 3.9826 3.9918 3.9918 11.4906 11.4906 15.3613 15.3613 15.3691 15.3691 15.4089 15.4089 k = 0.0000 0.0000 0.0535 ( 1070 PWs) bands (ev): -12.6333 -12.6333 -12.3647 -12.3647 -1.4295 -1.4295 0.3239 0.3239 3.9660 3.9660 3.9751 3.9751 3.9824 3.9824 3.9915 3.9915 11.5590 11.5590 15.3620 15.3620 15.3697 15.3697 15.4082 15.4082 k = 0.0000 0.0000 0.0612 ( 1070 PWs) bands (ev): -12.6289 -12.6289 -12.3696 -12.3696 -1.4037 -1.4037 0.2874 0.2874 3.9662 3.9662 3.9754 3.9754 3.9821 3.9821 3.9912 3.9912 11.6371 11.6371 15.3628 15.3628 15.3705 15.3705 15.4075 15.4077 k = 0.0000 0.0000 0.0688 ( 1076 PWs) bands (ev): -12.6240 -12.6240 -12.3752 -12.3752 -1.3749 -1.3749 0.2469 0.2469 3.9665 3.9665 3.9757 3.9757 3.9818 3.9818 3.9909 3.9909 11.7247 11.7247 15.3634 15.3634 15.3712 15.3712 15.4065 15.4069 k = 0.0000 0.0000 0.0765 ( 1064 PWs) bands (ev): -12.6186 -12.6186 -12.3812 -12.3812 -1.3427 -1.3427 0.2027 0.2027 3.9672 3.9672 3.9763 3.9763 3.9815 3.9815 3.9907 3.9907 11.8215 11.8215 15.3644 15.3645 15.3722 15.3722 15.4056 15.4060 k = 0.0000 0.0000 0.0841 ( 1064 PWs) bands (ev): -12.6127 -12.6127 -12.3877 -12.3877 -1.3075 -1.3075 0.1551 0.1551 3.9675 3.9675 3.9767 3.9767 3.9811 3.9811 3.9903 3.9903 11.9272 11.9272 15.3654 15.3654 15.3732 15.3732 15.4043 15.4043 k = 0.0000 0.0000 0.0918 ( 1064 PWs) bands (ev): -12.6063 -12.6063 -12.3948 -12.3948 -1.2694 -1.2694 0.1045 0.1045 3.9679 3.9679 3.9771 3.9771 3.9807 3.9807 3.9899 3.9899 12.0413 12.0413 15.3665 15.3666 15.3743 15.3744 15.4032 15.4035 k = 0.0000 0.0000 0.0994 ( 1064 PWs) bands (ev): -12.5995 -12.5995 -12.4023 -12.4023 -1.2284 -1.2284 0.0510 0.0510 3.9684 3.9684 3.9775 3.9775 3.9803 3.9803 3.9894 3.9894 12.1635 12.1635 15.3677 15.3677 15.3755 15.3755 15.4019 15.4022 k = 0.0000 0.0000 0.1071 ( 1064 PWs) bands (ev): -12.5923 -12.5923 -12.4102 -12.4102 -1.1846 -1.1846 -0.0053 -0.0053 3.9688 3.9688 3.9780 3.9780 3.9799 3.9799 3.9890 3.9890 12.2936 12.2936 15.3690 15.3690 15.3768 15.3768 15.4005 15.4005 k = 0.0000 0.0000 0.1147 ( 1064 PWs) bands (ev): -12.5847 -12.5847 -12.4184 -12.4184 -1.1382 -1.1382 -0.0633 -0.0633 3.9693 3.9693 3.9784 3.9784 3.9794 3.9794 3.9885 3.9885 12.4309 12.4309 15.3703 15.3703 15.3781 15.3781 15.3991 15.3991 k = 0.0000 0.0000 0.1224 ( 1064 PWs) bands (ev): -12.5766 -12.5766 -12.4270 -12.4270 -1.0894 -1.0894 -0.1232 -0.1232 3.9698 3.9698 3.9789 3.9789 3.9789 3.9789 3.9880 3.9880 12.5753 12.5753 15.3717 15.3717 15.3795 15.3795 15.3976 15.3976 k = 0.0000 0.0000 0.1300 ( 1064 PWs) bands (ev): -12.5683 -12.5683 -12.4360 -12.4360 -1.0382 -1.0382 -0.1845 -0.1845 3.9703 3.9703 3.9783 3.9783 3.9795 3.9795 3.9875 3.9875 12.7262 12.7262 15.2941 15.2941 15.3733 15.3733 15.3810 15.3810 k = 0.0000 0.0000 0.1377 ( 1064 PWs) bands (ev): -12.5596 -12.5596 -12.4451 -12.4451 -0.9849 -0.9849 -0.2469 -0.2469 3.9708 3.9708 3.9778 3.9778 3.9800 3.9800 3.9870 3.9870 12.8833 12.8833 15.0971 15.0971 15.3748 15.3748 15.3825 15.3825 k = 0.0000 0.0000 0.1453 ( 1064 PWs) bands (ev): -12.5506 -12.5506 -12.4545 -12.4545 -0.9296 -0.9296 -0.3102 -0.3102 3.9714 3.9714 3.9772 3.9772 3.9805 3.9805 3.9864 3.9864 13.0462 13.0462 14.8998 14.8998 15.3763 15.3763 15.3840 15.3840 k = 0.0000 0.0000 0.1530 ( 1064 PWs) bands (ev): -12.5415 -12.5415 -12.4641 -12.4641 -0.8724 -0.8724 -0.3740 -0.3740 3.9720 3.9720 3.9767 3.9767 3.9811 3.9811 3.9858 3.9858 13.2145 13.2145 14.7031 14.7031 15.3779 15.3779 15.3856 15.3856 k = 0.0000 0.0000 0.1606 ( 1064 PWs) bands (ev): -12.5321 -12.5321 -12.4737 -12.4737 -0.8136 -0.8136 -0.4381 -0.4381 3.9725 3.9725 3.9761 3.9761 3.9817 3.9817 3.9852 3.9852 13.3878 13.3878 14.5075 14.5075 15.3795 15.3795 15.3873 15.3873 k = 0.0000 0.0000 0.1683 ( 1064 PWs) bands (ev): -12.5225 -12.5225 -12.4835 -12.4835 -0.7534 -0.7534 -0.5022 -0.5022 3.9731 3.9731 3.9755 3.9755 3.9823 3.9823 3.9847 3.9847 13.5656 13.5656 14.3137 14.3137 15.3812 15.3813 15.3883 15.3885 k = 0.0000 0.0000 0.1759 ( 1070 PWs) bands (ev): -12.5129 -12.5129 -12.4933 -12.4933 -0.6919 -0.6919 -0.5662 -0.5662 3.9737 3.9737 3.9749 3.9749 3.9829 3.9829 3.9840 3.9840 13.7476 13.7476 14.1220 14.1220 15.3829 15.3829 15.3862 15.3862 k = 0.0000 0.0000 0.1836 ( 1070 PWs) bands (ev): -12.5031 -12.5031 -12.5031 -12.5031 -0.6294 -0.6294 -0.6294 -0.6294 3.9743 3.9743 3.9743 3.9743 3.9834 3.9834 3.9834 3.9834 13.9331 13.9331 13.9333 13.9333 15.3845 15.3845 15.3845 15.3846 k = 0.0000 0.0000 0.1836 ( 1070 PWs) bands (ev): -12.5031 -12.5031 -12.5031 -12.5031 -0.6294 -0.6294 -0.6294 -0.6294 3.9743 3.9743 3.9743 3.9743 3.9834 3.9834 3.9834 3.9834 13.9331 13.9331 13.9333 13.9333 15.3845 15.3845 15.3845 15.3845 k = 0.0068 0.0039 0.1836 ( 1070 PWs) bands (ev): -12.5020 -12.5020 -12.5020 -12.5020 -0.6281 -0.6281 -0.6281 -0.6281 3.9707 3.9707 3.9707 3.9707 3.9801 3.9801 3.9801 3.9801 13.9342 13.9342 13.9344 13.9344 15.3869 15.3869 15.3869 15.3869 k = 0.0135 0.0078 0.1836 ( 1070 PWs) bands (ev): -12.4988 -12.4988 -12.4988 -12.4988 -0.6243 -0.6243 -0.6243 -0.6243 3.9589 3.9589 3.9589 3.9589 3.9713 3.9713 3.9713 3.9713 13.9376 13.9376 13.9378 13.9378 15.3908 15.3908 15.3908 15.3908 k = 0.0203 0.0117 0.1836 ( 1070 PWs) bands (ev): -12.4934 -12.4934 -12.4934 -12.4934 -0.6178 -0.6178 -0.6178 -0.6178 3.9374 3.9374 3.9374 3.9374 3.9584 3.9584 3.9584 3.9584 13.9433 13.9433 13.9435 13.9435 15.3952 15.3952 15.3952 15.3952 k = 0.0270 0.0156 0.1836 ( 1070 PWs) bands (ev): -12.4858 -12.4858 -12.4858 -12.4858 -0.6088 -0.6088 -0.6088 -0.6088 3.9066 3.9066 3.9066 3.9066 3.9414 3.9414 3.9414 3.9414 13.9512 13.9512 13.9514 13.9514 15.4007 15.4007 15.4008 15.4008 k = 0.0338 0.0195 0.1836 ( 1068 PWs) bands (ev): -12.4761 -12.4761 -12.4761 -12.4761 -0.5971 -0.5971 -0.5971 -0.5971 3.8670 3.8670 3.8670 3.8670 3.9201 3.9201 3.9201 3.9201 13.9614 13.9614 13.9616 13.9616 15.4076 15.4076 15.4076 15.4076 k = 0.0405 0.0234 0.1836 ( 1068 PWs) bands (ev): -12.4642 -12.4642 -12.4642 -12.4642 -0.5829 -0.5829 -0.5829 -0.5829 3.8186 3.8186 3.8186 3.8186 3.8944 3.8944 3.8944 3.8944 13.9739 13.9739 13.9741 13.9741 15.4153 15.4153 15.4153 15.4153 k = 0.0473 0.0273 0.1836 ( 1068 PWs) bands (ev): -12.4502 -12.4502 -12.4502 -12.4502 -0.5661 -0.5661 -0.5661 -0.5661 3.7617 3.7617 3.7617 3.7617 3.8644 3.8644 3.8644 3.8644 13.9886 13.9886 13.9889 13.9889 15.4237 15.4237 15.4237 15.4237 k = 0.0541 0.0312 0.1836 ( 1068 PWs) bands (ev): -12.4340 -12.4340 -12.4340 -12.4340 -0.5468 -0.5468 -0.5468 -0.5468 3.6968 3.6968 3.6968 3.6968 3.8304 3.8304 3.8304 3.8304 14.0057 14.0057 14.0059 14.0059 15.4327 15.4327 15.4327 15.4327 k = 0.0608 0.0351 0.1836 ( 1072 PWs) bands (ev): -12.4157 -12.4157 -12.4157 -12.4157 -0.5249 -0.5249 -0.5249 -0.5249 3.6239 3.6239 3.6239 3.6239 3.7923 3.7923 3.7923 3.7923 14.0250 14.0250 14.0252 14.0252 15.4421 15.4421 15.4421 15.4421 k = 0.0676 0.0390 0.1836 ( 1068 PWs) bands (ev): -12.3952 -12.3952 -12.3952 -12.3952 -0.5004 -0.5004 -0.5004 -0.5004 3.5436 3.5436 3.5436 3.5436 3.7507 3.7507 3.7507 3.7507 14.0465 14.0465 14.0467 14.0467 15.4515 15.4515 15.4515 15.4515 k = 0.0743 0.0429 0.1836 ( 1068 PWs) bands (ev): -12.3726 -12.3726 -12.3726 -12.3726 -0.4733 -0.4733 -0.4733 -0.4733 3.4559 3.4559 3.4559 3.4559 3.7054 3.7054 3.7054 3.7054 14.0703 14.0703 14.0705 14.0705 15.4606 15.4606 15.4606 15.4606 k = 0.0811 0.0468 0.1836 ( 1072 PWs) bands (ev): -12.3478 -12.3478 -12.3478 -12.3478 -0.4437 -0.4437 -0.4437 -0.4437 3.3612 3.3612 3.3612 3.3612 3.6566 3.6566 3.6566 3.6566 14.0964 14.0964 14.0966 14.0966 15.4692 15.4692 15.4692 15.4692 k = 0.0878 0.0507 0.1836 ( 1066 PWs) bands (ev): -12.3208 -12.3208 -12.3208 -12.3208 -0.4115 -0.4115 -0.4115 -0.4115 3.2599 3.2599 3.2599 3.2599 3.6048 3.6048 3.6048 3.6048 14.1246 14.1246 14.1249 14.1249 15.4773 15.4773 15.4773 15.4773 k = 0.0946 0.0546 0.1836 ( 1070 PWs) bands (ev): -12.2917 -12.2917 -12.2917 -12.2917 -0.3768 -0.3768 -0.3768 -0.3768 3.1522 3.1522 3.1522 3.1522 3.5498 3.5498 3.5498 3.5498 14.1551 14.1551 14.1553 14.1553 15.4840 15.4840 15.4840 15.4840 k = 0.1014 0.0585 0.1836 ( 1064 PWs) bands (ev): -12.2604 -12.2604 -12.2604 -12.2604 -0.3395 -0.3395 -0.3395 -0.3395 3.0384 3.0384 3.0384 3.0384 3.4925 3.4925 3.4925 3.4925 14.1878 14.1878 14.1880 14.1880 15.4899 15.4899 15.4899 15.4899 k = 0.1081 0.0624 0.1836 ( 1062 PWs) bands (ev): -12.2270 -12.2270 -12.2270 -12.2270 -0.2997 -0.2997 -0.2997 -0.2997 2.9190 2.9190 2.9190 2.9190 3.4327 3.4327 3.4327 3.4327 14.2225 14.2225 14.2228 14.2228 15.4944 15.4944 15.4944 15.4944 k = 0.1149 0.0663 0.1836 ( 1062 PWs) bands (ev): -12.1915 -12.1915 -12.1915 -12.1915 -0.2574 -0.2574 -0.2574 -0.2574 2.7942 2.7942 2.7942 2.7942 3.3706 3.3706 3.3706 3.3706 14.2594 14.2594 14.2596 14.2596 15.4972 15.4972 15.4972 15.4972 k = 0.1216 0.0702 0.1836 ( 1058 PWs) bands (ev): -12.1539 -12.1539 -12.1539 -12.1539 -0.2126 -0.2126 -0.2126 -0.2126 2.6643 2.6643 2.6643 2.6643 3.3066 3.3066 3.3066 3.3066 14.2982 14.2982 14.2984 14.2984 15.4984 15.4984 15.4984 15.4984 k = 0.1284 0.0741 0.1836 ( 1060 PWs) bands (ev): -12.1141 -12.1141 -12.1141 -12.1141 -0.1652 -0.1652 -0.1652 -0.1652 2.5296 2.5296 2.5296 2.5296 3.2409 3.2409 3.2409 3.2409 14.3389 14.3389 14.3391 14.3391 15.4981 15.4981 15.4981 15.4981 k = 0.1351 0.0780 0.1836 ( 1060 PWs) bands (ev): -12.0722 -12.0722 -12.0722 -12.0722 -0.1154 -0.1154 -0.1154 -0.1154 2.3904 2.3904 2.3904 2.3904 3.1735 3.1735 3.1735 3.1735 14.3814 14.3814 14.3816 14.3816 15.4961 15.4961 15.4961 15.4961 k = 0.1419 0.0819 0.1836 ( 1064 PWs) bands (ev): -12.0281 -12.0281 -12.0281 -12.0281 -0.0631 -0.0631 -0.0631 -0.0631 2.2470 2.2470 2.2470 2.2470 3.1048 3.1048 3.1048 3.1048 14.4256 14.4256 14.4258 14.4258 15.4923 15.4923 15.4923 15.4923 k = 0.1486 0.0858 0.1836 ( 1062 PWs) bands (ev): -11.9820 -11.9820 -11.9820 -11.9820 -0.0082 -0.0082 -0.0082 -0.0082 2.0996 2.0996 2.0996 2.0996 3.0350 3.0350 3.0350 3.0350 14.4712 14.4712 14.4715 14.4715 15.4872 15.4872 15.4872 15.4872 k = 0.1554 0.0897 0.1836 ( 1062 PWs) bands (ev): -11.9337 -11.9337 -11.9337 -11.9337 0.0490 0.0490 0.0490 0.0490 1.9488 1.9488 1.9488 1.9488 2.9642 2.9642 2.9642 2.9642 14.5181 14.5181 14.5183 14.5183 15.4804 15.4804 15.4804 15.4804 k = 0.1622 0.0936 0.1836 ( 1054 PWs) bands (ev): -11.8832 -11.8832 -11.8832 -11.8832 0.1088 0.1088 0.1088 0.1088 1.7948 1.7948 1.7948 1.7948 2.8928 2.8928 2.8928 2.8928 14.5659 14.5659 14.5661 14.5661 15.4723 15.4723 15.4723 15.4723 k = 0.1689 0.0975 0.1836 ( 1050 PWs) bands (ev): -11.8307 -11.8307 -11.8307 -11.8307 0.1711 0.1711 0.1711 0.1711 1.6375 1.6375 1.6375 1.6375 2.8206 2.8206 2.8206 2.8206 14.6141 14.6141 14.6143 14.6143 15.4626 15.4626 15.4627 15.4627 k = 0.1757 0.1014 0.1836 ( 1050 PWs) bands (ev): -11.7760 -11.7760 -11.7760 -11.7760 0.2357 0.2357 0.2357 0.2357 1.4775 1.4775 1.4775 1.4775 2.7480 2.7480 2.7480 2.7480 14.6622 14.6622 14.6624 14.6624 15.4514 15.4514 15.4514 15.4514 k = 0.1824 0.1053 0.1836 ( 1046 PWs) bands (ev): -11.7193 -11.7193 -11.7193 -11.7193 0.3027 0.3027 0.3027 0.3027 1.3149 1.3149 1.3149 1.3149 2.6752 2.6752 2.6752 2.6752 14.7092 14.7092 14.7094 14.7094 15.4379 15.4379 15.4379 15.4379 k = 0.1892 0.1092 0.1836 ( 1042 PWs) bands (ev): -11.6604 -11.6604 -11.6604 -11.6604 0.3722 0.3722 0.3722 0.3722 1.1499 1.1499 1.1499 1.1499 2.6022 2.6022 2.6022 2.6022 14.7538 14.7538 14.7540 14.7540 15.4205 15.4205 15.4206 15.4206 k = 0.1959 0.1131 0.1836 ( 1042 PWs) bands (ev): -11.5995 -11.5995 -11.5995 -11.5995 0.4438 0.4438 0.4438 0.4438 0.9829 0.9829 0.9829 0.9829 2.5293 2.5293 2.5293 2.5293 14.7940 14.7940 14.7942 14.7942 15.3949 15.3949 15.3950 15.3950 k = 0.2027 0.1170 0.1836 ( 1042 PWs) bands (ev): -11.5364 -11.5364 -11.5364 -11.5364 0.5177 0.5177 0.5177 0.5177 0.8141 0.8141 0.8141 0.8141 2.4566 2.4566 2.4566 2.4566 14.8265 14.8265 14.8266 14.8266 15.3517 15.3517 15.3518 15.3518 k = 0.2095 0.1209 0.1836 ( 1038 PWs) bands (ev): -11.4713 -11.4713 -11.4713 -11.4713 0.5908 0.5908 0.5908 0.5908 0.6467 0.6467 0.6467 0.6467 2.3842 2.3842 2.3842 2.3842 14.8452 14.8452 14.8453 14.8453 15.2812 15.2812 15.2812 15.2812 k = 0.2162 0.1248 0.1836 ( 1044 PWs) bands (ev): -11.4041 -11.4041 -11.4041 -11.4041 0.4691 0.4691 0.4691 0.4691 0.6748 0.6748 0.6748 0.6748 2.3121 2.3121 2.3121 2.3121 14.8379 14.8379 14.8381 14.8381 15.1933 15.1933 15.1934 15.1934 k = 0.2230 0.1287 0.1836 ( 1044 PWs) bands (ev): -11.3349 -11.3349 -11.3349 -11.3349 0.2959 0.2959 0.2959 0.2959 0.7553 0.7553 0.7553 0.7553 2.2406 2.2406 2.2406 2.2406 14.7850 14.7850 14.7850 14.7850 15.1202 15.1202 15.1202 15.1202 k = 0.2297 0.1326 0.1836 ( 1044 PWs) bands (ev): -11.2636 -11.2636 -11.2636 -11.2636 0.1210 0.1210 0.1210 0.1210 0.8385 0.8385 0.8385 0.8385 2.1698 2.1698 2.1698 2.1698 14.6785 14.6785 14.6786 14.6786 15.0792 15.0792 15.0793 15.0793 k = 0.2365 0.1365 0.1836 ( 1044 PWs) bands (ev): -11.1902 -11.1902 -11.1902 -11.1902 -0.0549 -0.0549 -0.0549 -0.0549 0.9241 0.9241 0.9241 0.9241 2.0997 2.0997 2.0997 2.0997 14.5365 14.5365 14.5366 14.5366 15.0583 15.0583 15.0584 15.0584 k = 0.2432 0.1404 0.1836 ( 1044 PWs) bands (ev): -11.1147 -11.1147 -11.1147 -11.1147 -0.2318 -0.2318 -0.2318 -0.2318 1.0119 1.0119 1.0119 1.0119 2.0305 2.0305 2.0305 2.0305 14.3763 14.3763 14.3764 14.3764 15.0436 15.0436 15.0436 15.0436 k = 0.2500 0.1443 0.1836 ( 1044 PWs) bands (ev): -11.0373 -11.0373 -11.0373 -11.0373 -0.4095 -0.4095 -0.4095 -0.4095 1.1018 1.1018 1.1018 1.1018 1.9622 1.9622 1.9622 1.9622 14.2065 14.2065 14.2065 14.2065 15.0292 15.0292 15.0292 15.0292 k = 0.2568 0.1482 0.1836 ( 1040 PWs) bands (ev): -10.9577 -10.9577 -10.9577 -10.9577 -0.5877 -0.5877 -0.5877 -0.5877 1.1940 1.1940 1.1940 1.1940 1.8949 1.8949 1.8949 1.8949 14.0308 14.0308 14.0308 14.0308 15.0133 15.0133 15.0134 15.0134 k = 0.2635 0.1521 0.1836 ( 1040 PWs) bands (ev): -10.8762 -10.8762 -10.8762 -10.8762 -0.7665 -0.7665 -0.7665 -0.7665 1.2882 1.2882 1.2882 1.2882 1.8288 1.8288 1.8288 1.8288 13.8512 13.8512 13.8512 13.8512 14.9957 14.9957 14.9957 14.9957 k = 0.2703 0.1560 0.1836 ( 1048 PWs) bands (ev): -10.7927 -10.7927 -10.7927 -10.7927 -0.9458 -0.9458 -0.9458 -0.9458 1.3844 1.3844 1.3845 1.3845 1.7638 1.7638 1.7638 1.7638 13.6684 13.6684 13.6684 13.6684 14.9764 14.9764 14.9765 14.9765 k = 0.2770 0.1599 0.1836 ( 1052 PWs) bands (ev): -10.7071 -10.7071 -10.7071 -10.7071 -1.1253 -1.1253 -1.1253 -1.1253 1.4827 1.4827 1.4827 1.4827 1.7001 1.7001 1.7001 1.7001 13.4840 13.4840 13.4841 13.4841 14.9559 14.9559 14.9559 14.9559 k = 0.2838 0.1638 0.1836 ( 1058 PWs) bands (ev): -10.6196 -10.6196 -10.6196 -10.6196 -1.3049 -1.3049 -1.3049 -1.3049 1.5830 1.5830 1.5830 1.5830 1.6378 1.6378 1.6378 1.6378 13.2979 13.2979 13.2979 13.2979 14.9343 14.9343 14.9343 14.9343 k = 0.2905 0.1677 0.1836 ( 1058 PWs) bands (ev): -10.5300 -10.5300 -10.5300 -10.5300 -1.4844 -1.4844 -1.4844 -1.4844 1.5768 1.5768 1.5768 1.5768 1.6851 1.6851 1.6851 1.6851 13.1109 13.1109 13.1109 13.1109 14.9120 14.9120 14.9120 14.9120 k = 0.2973 0.1716 0.1836 ( 1054 PWs) bands (ev): -10.4384 -10.4384 -10.4384 -10.4384 -1.6638 -1.6638 -1.6638 -1.6638 1.5173 1.5173 1.5173 1.5173 1.7892 1.7892 1.7892 1.7892 12.9231 12.9231 12.9232 12.9232 14.8893 14.8893 14.8893 14.8893 k = 0.3041 0.1755 0.1836 ( 1054 PWs) bands (ev): -10.3450 -10.3450 -10.3450 -10.3450 -1.8430 -1.8430 -1.8430 -1.8430 1.4592 1.4592 1.4592 1.4592 1.8949 1.8949 1.8949 1.8949 12.7349 12.7349 12.7349 12.7349 14.8663 14.8663 14.8663 14.8663 k = 0.3108 0.1794 0.1836 ( 1058 PWs) bands (ev): -10.2495 -10.2495 -10.2495 -10.2495 -2.0220 -2.0220 -2.0220 -2.0220 1.4028 1.4028 1.4028 1.4028 2.0024 2.0024 2.0024 2.0024 12.5465 12.5465 12.5465 12.5465 14.8431 14.8431 14.8431 14.8431 k = 0.3176 0.1833 0.1836 ( 1062 PWs) bands (ev): -10.1522 -10.1522 -10.1522 -10.1522 -2.2005 -2.2005 -2.2005 -2.2005 1.3477 1.3477 1.3477 1.3477 2.1115 2.1115 2.1115 2.1115 12.3581 12.3581 12.3581 12.3581 14.8198 14.8198 14.8198 14.8198 k = 0.3243 0.1872 0.1836 ( 1066 PWs) bands (ev): -10.0529 -10.0529 -10.0529 -10.0529 -2.3785 -2.3785 -2.3785 -2.3785 1.2944 1.2944 1.2944 1.2944 2.2220 2.2220 2.2220 2.2220 12.1701 12.1701 12.1701 12.1701 14.7968 14.7968 14.7968 14.7968 k = 0.3311 0.1911 0.1836 ( 1066 PWs) bands (ev): -9.9518 -9.9518 -9.9518 -9.9518 -2.5560 -2.5560 -2.5560 -2.5560 1.2429 1.2429 1.2429 1.2429 2.3340 2.3340 2.3340 2.3340 11.9825 11.9825 11.9826 11.9826 14.7741 14.7741 14.7741 14.7741 k = 0.3378 0.1951 0.1836 ( 1066 PWs) bands (ev): -9.8488 -9.8488 -9.8488 -9.8488 -2.7327 -2.7327 -2.7327 -2.7327 1.1931 1.1931 1.1931 1.1931 2.4473 2.4473 2.4473 2.4473 11.7958 11.7958 11.7958 11.7958 14.7518 14.7518 14.7518 14.7518 k = 0.3446 0.1990 0.1836 ( 1066 PWs) bands (ev): -9.7439 -9.7439 -9.7439 -9.7439 -2.9088 -2.9088 -2.9088 -2.9088 1.1451 1.1451 1.1451 1.1451 2.5617 2.5617 2.5617 2.5617 11.6100 11.6100 11.6100 11.6100 14.7299 14.7299 14.7299 14.7299 k = 0.3514 0.2029 0.1836 ( 1064 PWs) bands (ev): -9.6371 -9.6371 -9.6371 -9.6371 -3.0840 -3.0840 -3.0840 -3.0840 1.0990 1.0990 1.0990 1.0990 2.6772 2.6772 2.6772 2.6772 11.4256 11.4256 11.4256 11.4256 14.7086 14.7086 14.7086 14.7086 k = 0.3581 0.2068 0.1836 ( 1064 PWs) bands (ev): -9.5286 -9.5286 -9.5286 -9.5286 -3.2583 -3.2583 -3.2583 -3.2583 1.0547 1.0547 1.0547 1.0547 2.7935 2.7935 2.7935 2.7935 11.2428 11.2428 11.2428 11.2428 14.6878 14.6878 14.6878 14.6878 k = 0.3649 0.2107 0.1836 ( 1064 PWs) bands (ev): -9.4184 -9.4184 -9.4184 -9.4184 -3.4318 -3.4318 -3.4318 -3.4318 1.0122 1.0122 1.0122 1.0122 2.9105 2.9105 2.9105 2.9105 11.0618 11.0618 11.0618 11.0618 14.6676 14.6676 14.6676 14.6676 k = 0.3716 0.2146 0.1836 ( 1064 PWs) bands (ev): -9.3064 -9.3064 -9.3064 -9.3064 -3.6040 -3.6040 -3.6040 -3.6040 0.9716 0.9716 0.9716 0.9716 3.0278 3.0278 3.0278 3.0278 10.8830 10.8830 10.8830 10.8830 14.6482 14.6482 14.6482 14.6482 k = 0.3784 0.2185 0.1836 ( 1064 PWs) bands (ev): -9.1927 -9.1927 -9.1927 -9.1927 -3.7751 -3.7751 -3.7751 -3.7751 0.9330 0.9330 0.9330 0.9330 3.1454 3.1454 3.1454 3.1454 10.7067 10.7067 10.7067 10.7067 14.6296 14.6296 14.6296 14.6296 k = 0.3851 0.2224 0.1836 ( 1064 PWs) bands (ev): -9.0775 -9.0775 -9.0775 -9.0775 -3.9449 -3.9449 -3.9449 -3.9449 0.8963 0.8963 0.8963 0.8963 3.2628 3.2628 3.2628 3.2628 10.5332 10.5332 10.5333 10.5333 14.6117 14.6117 14.6117 14.6117 k = 0.3919 0.2263 0.1836 ( 1068 PWs) bands (ev): -8.9606 -8.9606 -8.9606 -8.9606 -4.1134 -4.1134 -4.1134 -4.1134 0.8616 0.8616 0.8616 0.8616 3.3798 3.3798 3.3798 3.3798 10.3629 10.3629 10.3630 10.3630 14.5946 14.5946 14.5946 14.5946 k = 0.3986 0.2302 0.1836 ( 1066 PWs) bands (ev): -8.8423 -8.8423 -8.8423 -8.8423 -4.2804 -4.2804 -4.2804 -4.2804 0.8289 0.8289 0.8289 0.8289 3.4960 3.4960 3.4960 3.4960 10.1965 10.1965 10.1965 10.1965 14.5785 14.5785 14.5785 14.5785 k = 0.4054 0.2341 0.1836 ( 1066 PWs) bands (ev): -8.7226 -8.7226 -8.7226 -8.7226 -4.4457 -4.4457 -4.4457 -4.4457 0.7983 0.7983 0.7983 0.7983 3.6109 3.6109 3.6110 3.6110 10.0342 10.0342 10.0342 10.0342 14.5632 14.5632 14.5632 14.5632 k = 0.4122 0.2380 0.1836 ( 1066 PWs) bands (ev): -8.6016 -8.6016 -8.6016 -8.6016 -4.6094 -4.6094 -4.6094 -4.6094 0.7696 0.7696 0.7696 0.7696 3.7241 3.7241 3.7241 3.7241 9.8767 9.8767 9.8767 9.8767 14.5489 14.5489 14.5489 14.5489 k = 0.4189 0.2419 0.1836 ( 1070 PWs) bands (ev): -8.4795 -8.4795 -8.4795 -8.4795 -4.7711 -4.7711 -4.7711 -4.7711 0.7430 0.7430 0.7430 0.7430 3.8350 3.8350 3.8350 3.8350 9.7246 9.7246 9.7246 9.7246 14.5355 14.5355 14.5355 14.5355 k = 0.4257 0.2458 0.1836 ( 1070 PWs) bands (ev): -8.3565 -8.3565 -8.3565 -8.3565 -4.9306 -4.9306 -4.9306 -4.9306 0.7185 0.7185 0.7185 0.7185 3.9428 3.9428 3.9428 3.9428 9.5786 9.5786 9.5786 9.5786 14.5231 14.5231 14.5231 14.5231 k = 0.4324 0.2497 0.1836 ( 1070 PWs) bands (ev): -8.2328 -8.2328 -8.2328 -8.2328 -5.0877 -5.0877 -5.0877 -5.0877 0.6961 0.6961 0.6961 0.6961 4.0469 4.0469 4.0469 4.0469 9.4396 9.4396 9.4396 9.4396 14.5118 14.5118 14.5118 14.5118 k = 0.4392 0.2536 0.1836 ( 1070 PWs) bands (ev): -8.1088 -8.1088 -8.1088 -8.1088 -5.2420 -5.2420 -5.2420 -5.2420 0.6757 0.6757 0.6757 0.6757 4.1463 4.1463 4.1463 4.1463 9.3084 9.3084 9.3084 9.3084 14.5014 14.5014 14.5014 14.5014 k = 0.4459 0.2575 0.1836 ( 1070 PWs) bands (ev): -7.9849 -7.9849 -7.9849 -7.9849 -5.3930 -5.3930 -5.3930 -5.3930 0.6575 0.6575 0.6575 0.6575 4.2402 4.2402 4.2402 4.2402 9.1860 9.1860 9.1861 9.1861 14.4921 14.4921 14.4921 14.4921 k = 0.4527 0.2614 0.1836 ( 1072 PWs) bands (ev): -7.8620 -7.8620 -7.8620 -7.8620 -5.5400 -5.5400 -5.5400 -5.5400 0.6414 0.6414 0.6414 0.6414 4.3272 4.3272 4.3272 4.3272 9.0737 9.0737 9.0737 9.0737 14.4839 14.4839 14.4839 14.4839 k = 0.4595 0.2653 0.1836 ( 1072 PWs) bands (ev): -7.7411 -7.7411 -7.7411 -7.7411 -5.6817 -5.6817 -5.6817 -5.6817 0.6275 0.6275 0.6275 0.6275 4.4064 4.4064 4.4064 4.4064 8.9726 8.9726 8.9726 8.9726 14.4767 14.4767 14.4767 14.4767 k = 0.4662 0.2692 0.1836 ( 1072 PWs) bands (ev): -7.6239 -7.6239 -7.6239 -7.6239 -5.8166 -5.8166 -5.8166 -5.8166 0.6156 0.6156 0.6156 0.6156 4.4765 4.4765 4.4765 4.4765 8.8839 8.8839 8.8840 8.8840 14.4706 14.4706 14.4706 14.4706 k = 0.4730 0.2731 0.1836 ( 1068 PWs) bands (ev): -7.5130 -7.5130 -7.5130 -7.5130 -5.9419 -5.9419 -5.9419 -5.9419 0.6060 0.6060 0.6060 0.6060 4.5361 4.5361 4.5361 4.5361 8.8092 8.8092 8.8092 8.8092 14.4657 14.4657 14.4657 14.4657 k = 0.4797 0.2770 0.1836 ( 1068 PWs) bands (ev): -7.4125 -7.4125 -7.4125 -7.4125 -6.0536 -6.0536 -6.0536 -6.0536 0.5984 0.5984 0.5984 0.5984 4.5840 4.5840 4.5840 4.5840 8.7494 8.7494 8.7494 8.7494 14.4618 14.4618 14.4618 14.4618 k = 0.4865 0.2809 0.1836 ( 1068 PWs) bands (ev): -7.3292 -7.3292 -7.3292 -7.3292 -6.1450 -6.1450 -6.1450 -6.1450 0.5931 0.5931 0.5931 0.5931 4.6191 4.6191 4.6191 4.6191 8.7058 8.7058 8.7058 8.7058 14.4590 14.4590 14.4590 14.4590 k = 0.4932 0.2848 0.1836 ( 1064 PWs) bands (ev): -7.2724 -7.2724 -7.2724 -7.2724 -6.2066 -6.2066 -6.2066 -6.2066 0.5899 0.5899 0.5899 0.5899 4.6405 4.6405 4.6406 4.6406 8.6792 8.6792 8.6793 8.6793 14.4573 14.4573 14.4573 14.4573 k = 0.5000 0.2887 0.1836 ( 1068 PWs) bands (ev): -7.2519 -7.2519 -7.2519 -7.2519 -6.2287 -6.2287 -6.2287 -6.2287 0.5888 0.5888 0.5888 0.5888 4.6477 4.6477 4.6477 4.6477 8.6703 8.6703 8.6703 8.6703 14.4567 14.4567 14.4567 14.4567 k = 0.5000 0.2887 0.1836 ( 1068 PWs) bands (ev): -7.2519 -7.2519 -7.2519 -7.2519 -6.2287 -6.2287 -6.2287 -6.2287 0.5888 0.5888 0.5888 0.5888 4.6477 4.6477 4.6477 4.6477 8.6703 8.6703 8.6703 8.6703 14.4567 14.4567 14.4567 14.4567 k = 0.4961 0.2954 0.1836 ( 1064 PWs) bands (ev): -7.2510 -7.2510 -7.2510 -7.2510 -6.2278 -6.2278 -6.2278 -6.2278 0.5840 0.5840 0.5840 0.5840 4.6491 4.6491 4.6491 4.6491 8.6701 8.6701 8.6701 8.6701 14.4632 14.4632 14.4632 14.4632 k = 0.4922 0.3021 0.1836 ( 1064 PWs) bands (ev): -7.2482 -7.2482 -7.2482 -7.2482 -6.2251 -6.2251 -6.2251 -6.2251 0.5696 0.5696 0.5696 0.5696 4.6530 4.6530 4.6530 4.6530 8.6692 8.6692 8.6693 8.6693 14.4826 14.4826 14.4826 14.4826 k = 0.4884 0.3088 0.1836 ( 1068 PWs) bands (ev): -7.2437 -7.2437 -7.2437 -7.2437 -6.2205 -6.2205 -6.2205 -6.2205 0.5456 0.5456 0.5456 0.5456 4.6595 4.6595 4.6595 4.6595 8.6678 8.6678 8.6679 8.6679 14.5148 14.5148 14.5148 14.5148 k = 0.4845 0.3155 0.1836 ( 1068 PWs) bands (ev): -7.2373 -7.2373 -7.2373 -7.2373 -6.2142 -6.2142 -6.2142 -6.2142 0.5123 0.5123 0.5123 0.5123 4.6686 4.6686 4.6686 4.6686 8.6659 8.6659 8.6659 8.6659 14.5596 14.5596 14.5597 14.5597 k = 0.4806 0.3222 0.1836 ( 1068 PWs) bands (ev): -7.2291 -7.2291 -7.2291 -7.2291 -6.2060 -6.2060 -6.2060 -6.2060 0.4698 0.4698 0.4698 0.4698 4.6802 4.6802 4.6803 4.6803 8.6633 8.6633 8.6633 8.6633 14.6169 14.6169 14.6169 14.6169 k = 0.4767 0.3290 0.1836 ( 1068 PWs) bands (ev): -7.2191 -7.2191 -7.2191 -7.2191 -6.1961 -6.1961 -6.1961 -6.1961 0.4185 0.4185 0.4185 0.4185 4.6945 4.6945 4.6945 4.6945 8.6600 8.6600 8.6600 8.6600 14.6863 14.6863 14.6863 14.6863 k = 0.4729 0.3357 0.1836 ( 1068 PWs) bands (ev): -7.2072 -7.2072 -7.2072 -7.2072 -6.1843 -6.1843 -6.1843 -6.1843 0.3586 0.3586 0.3586 0.3586 4.7114 4.7114 4.7114 4.7114 8.6560 8.6560 8.6560 8.6560 14.7674 14.7674 14.7675 14.7675 k = 0.4690 0.3424 0.1836 ( 1068 PWs) bands (ev): -7.1936 -7.1936 -7.1936 -7.1936 -6.1708 -6.1708 -6.1708 -6.1708 0.2904 0.2904 0.2904 0.2904 4.7309 4.7309 4.7309 4.7309 8.6512 8.6512 8.6512 8.6512 14.8600 14.8600 14.8601 14.8601 k = 0.4651 0.3491 0.1836 ( 1068 PWs) bands (ev): -7.1781 -7.1781 -7.1781 -7.1781 -6.1556 -6.1556 -6.1556 -6.1556 0.2144 0.2144 0.2144 0.2144 4.7530 4.7530 4.7530 4.7530 8.6456 8.6456 8.6456 8.6456 14.9636 14.9636 14.9636 14.9636 k = 0.4612 0.3558 0.1836 ( 1068 PWs) bands (ev): -7.1608 -7.1608 -7.1608 -7.1608 -6.1385 -6.1385 -6.1385 -6.1385 0.1307 0.1307 0.1307 0.1307 4.7777 4.7777 4.7777 4.7777 8.6389 8.6389 8.6389 8.6389 15.0776 15.0776 15.0776 15.0776 k = 0.4574 0.3625 0.1836 ( 1068 PWs) bands (ev): -7.1416 -7.1416 -7.1416 -7.1416 -6.1198 -6.1198 -6.1198 -6.1198 0.0401 0.0401 0.0401 0.0401 4.8049 4.8049 4.8049 4.8049 8.6312 8.6312 8.6312 8.6312 15.2016 15.2016 15.2017 15.2017 k = 0.4535 0.3692 0.1836 ( 1064 PWs) bands (ev): -7.1206 -7.1206 -7.1206 -7.1206 -6.0994 -6.0994 -6.0994 -6.0994 -0.0571 -0.0571 -0.0571 -0.0571 4.8349 4.8349 4.8349 4.8349 8.6224 8.6224 8.6225 8.6225 15.3351 15.3351 15.3352 15.3352 k = 0.4496 0.3759 0.1836 ( 1056 PWs) bands (ev): -7.0978 -7.0978 -7.0978 -7.0978 -6.0772 -6.0772 -6.0772 -6.0772 -0.1604 -0.1604 -0.1604 -0.1604 4.8674 4.8674 4.8674 4.8674 8.6124 8.6124 8.6124 8.6124 15.4778 15.4778 15.4778 15.4778 k = 0.4457 0.3827 0.1836 ( 1052 PWs) bands (ev): -7.0732 -7.0732 -7.0732 -7.0732 -6.0535 -6.0535 -6.0535 -6.0535 -0.2694 -0.2694 -0.2694 -0.2694 4.9024 4.9024 4.9024 4.9024 8.6009 8.6009 8.6009 8.6009 15.6285 15.6285 15.6285 15.6285 k = 0.4419 0.3894 0.1836 ( 1048 PWs) bands (ev): -7.0468 -7.0468 -7.0468 -7.0468 -6.0281 -6.0281 -6.0281 -6.0281 -0.3837 -0.3837 -0.3837 -0.3837 4.9400 4.9400 4.9400 4.9400 8.5878 8.5878 8.5878 8.5878 15.7868 15.7868 15.7869 15.7869 k = 0.4380 0.3961 0.1836 ( 1052 PWs) bands (ev): -7.0186 -7.0186 -7.0186 -7.0186 -6.0012 -6.0012 -6.0012 -6.0012 -0.5029 -0.5029 -0.5029 -0.5029 4.9801 4.9801 4.9801 4.9801 8.5730 8.5730 8.5730 8.5730 15.9521 15.9521 15.9522 15.9522 k = 0.4341 0.4028 0.1836 ( 1048 PWs) bands (ev): -6.9885 -6.9885 -6.9885 -6.9885 -5.9728 -5.9728 -5.9727 -5.9727 -0.6264 -0.6264 -0.6264 -0.6264 5.0228 5.0228 5.0228 5.0228 8.5564 8.5564 8.5564 8.5564 16.1236 16.1236 16.1238 16.1238 k = 0.4302 0.4095 0.1836 ( 1048 PWs) bands (ev): -6.9566 -6.9566 -6.9566 -6.9566 -5.9429 -5.9429 -5.9429 -5.9429 -0.7539 -0.7539 -0.7539 -0.7539 5.0681 5.0681 5.0681 5.0681 8.5378 8.5378 8.5378 8.5378 16.3005 16.3005 16.3006 16.3006 k = 0.4264 0.4162 0.1836 ( 1052 PWs) bands (ev): -6.9230 -6.9230 -6.9230 -6.9230 -5.9117 -5.9117 -5.9117 -5.9117 -0.8848 -0.8848 -0.8848 -0.8848 5.1159 5.1159 5.1159 5.1159 8.5171 8.5171 8.5171 8.5171 16.4815 16.4815 16.4817 16.4817 k = 0.4225 0.4229 0.1836 ( 1052 PWs) bands (ev): -6.8875 -6.8875 -6.8875 -6.8875 -5.8791 -5.8791 -5.8791 -5.8791 -1.0188 -1.0188 -1.0188 -1.0188 5.1663 5.1663 5.1663 5.1663 8.4940 8.4940 8.4940 8.4940 16.6655 16.6655 16.6658 16.6658 k = 0.4186 0.4297 0.1836 ( 1048 PWs) bands (ev): -6.8502 -6.8502 -6.8502 -6.8502 -5.8453 -5.8453 -5.8453 -5.8453 -1.1554 -1.1554 -1.1554 -1.1554 5.2192 5.2192 5.2192 5.2192 8.4686 8.4686 8.4686 8.4686 16.8507 16.8507 16.8510 16.8510 k = 0.4147 0.4364 0.1836 ( 1048 PWs) bands (ev): -6.8111 -6.8111 -6.8111 -6.8111 -5.8104 -5.8104 -5.8104 -5.8104 -1.2942 -1.2942 -1.2942 -1.2942 5.2747 5.2747 5.2747 5.2747 8.4404 8.4404 8.4404 8.4404 17.0343 17.0343 17.0347 17.0347 k = 0.4109 0.4431 0.1836 ( 1048 PWs) bands (ev): -6.7701 -6.7701 -6.7701 -6.7701 -5.7745 -5.7745 -5.7745 -5.7745 -1.4348 -1.4348 -1.4348 -1.4348 5.3327 5.3327 5.3327 5.3327 8.4093 8.4093 8.4094 8.4094 17.2119 17.2119 17.2125 17.2125 k = 0.4070 0.4498 0.1836 ( 1052 PWs) bands (ev): -6.7274 -6.7274 -6.7274 -6.7274 -5.7377 -5.7377 -5.7377 -5.7377 -1.5768 -1.5768 -1.5768 -1.5768 5.3932 5.3932 5.3932 5.3932 8.3753 8.3753 8.3753 8.3753 17.3760 17.3760 17.3768 17.3768 k = 0.4031 0.4565 0.1836 ( 1052 PWs) bands (ev): -6.6828 -6.6828 -6.6828 -6.6828 -5.7003 -5.7003 -5.7003 -5.7003 -1.7196 -1.7196 -1.7196 -1.7196 5.4563 5.4563 5.4563 5.4563 8.3380 8.3380 8.3380 8.3380 17.5142 17.5142 17.5153 17.5153 k = 0.3992 0.4632 0.1836 ( 1048 PWs) bands (ev): -6.6365 -6.6365 -6.6365 -6.6365 -5.6624 -5.6624 -5.6624 -5.6624 -1.8628 -1.8628 -1.8628 -1.8628 5.5218 5.5218 5.5219 5.5219 8.2974 8.2974 8.2975 8.2975 17.6105 17.6105 17.6118 17.6118 k = 0.3953 0.4699 0.1836 ( 1046 PWs) bands (ev): -6.5883 -6.5883 -6.5883 -6.5883 -5.6242 -5.6242 -5.6242 -5.6242 -2.0060 -2.0060 -2.0060 -2.0060 5.5899 5.5899 5.5899 5.5899 8.2535 8.2535 8.2535 8.2535 17.6553 17.6553 17.6567 17.6567 k = 0.3915 0.4766 0.1836 ( 1050 PWs) bands (ev): -6.5384 -6.5384 -6.5383 -6.5383 -5.5862 -5.5862 -5.5862 -5.5862 -2.1486 -2.1486 -2.1486 -2.1486 5.6605 5.6605 5.6605 5.6605 8.2058 8.2058 8.2058 8.2058 17.6567 17.6567 17.6581 17.6581 k = 0.3876 0.4834 0.1836 ( 1048 PWs) bands (ev): -6.4866 -6.4866 -6.4866 -6.4866 -5.5486 -5.5486 -5.5486 -5.5486 -2.2900 -2.2900 -2.2900 -2.2900 5.7336 5.7336 5.7336 5.7336 8.1543 8.1543 8.1543 8.1543 17.6309 17.6309 17.6322 17.6322 k = 0.3837 0.4901 0.1836 ( 1044 PWs) bands (ev): -6.4330 -6.4330 -6.4330 -6.4330 -5.5120 -5.5120 -5.5120 -5.5120 -2.4296 -2.4296 -2.4296 -2.4296 5.8092 5.8092 5.8092 5.8092 8.0990 8.0990 8.0990 8.0990 17.5910 17.5910 17.5921 17.5921 k = 0.3798 0.4968 0.1836 ( 1046 PWs) bands (ev): -6.3776 -6.3776 -6.3776 -6.3776 -5.4769 -5.4769 -5.4769 -5.4769 -2.5667 -2.5667 -2.5667 -2.5667 5.8872 5.8872 5.8872 5.8872 8.0396 8.0396 8.0396 8.0396 17.5446 17.5446 17.5456 17.5456 k = 0.3760 0.5035 0.1836 ( 1046 PWs) bands (ev): -6.3205 -6.3205 -6.3205 -6.3205 -5.4439 -5.4439 -5.4439 -5.4439 -2.7002 -2.7002 -2.7002 -2.7002 5.9677 5.9677 5.9677 5.9677 7.9762 7.9762 7.9762 7.9762 17.4962 17.4962 17.4972 17.4972 k = 0.3721 0.5102 0.1836 ( 1042 PWs) bands (ev): -6.2615 -6.2615 -6.2615 -6.2615 -5.4140 -5.4140 -5.4140 -5.4140 -2.8294 -2.8294 -2.8293 -2.8293 6.0508 6.0508 6.0508 6.0508 7.9088 7.9088 7.9088 7.9088 17.4487 17.4487 17.4496 17.4496 k = 0.3682 0.5169 0.1836 ( 1044 PWs) bands (ev): -6.2008 -6.2008 -6.2007 -6.2007 -5.3883 -5.3883 -5.3882 -5.3882 -2.9529 -2.9529 -2.9529 -2.9529 6.1362 6.1362 6.1362 6.1362 7.8372 7.8372 7.8372 7.8372 17.4035 17.4035 17.4043 17.4043 k = 0.3643 0.5236 0.1836 ( 1044 PWs) bands (ev): -6.1382 -6.1382 -6.1382 -6.1382 -5.3678 -5.3678 -5.3678 -5.3678 -3.0694 -3.0694 -3.0694 -3.0694 6.2240 6.2240 6.2240 6.2240 7.7615 7.7615 7.7615 7.7615 17.3617 17.3617 17.3625 17.3625 k = 0.3605 0.5304 0.1836 ( 1052 PWs) bands (ev): -6.0739 -6.0739 -6.0739 -6.0739 -5.3542 -5.3542 -5.3542 -5.3542 -3.1773 -3.1773 -3.1773 -3.1773 6.3142 6.3142 6.3143 6.3143 7.6816 7.6816 7.6816 7.6816 17.3240 17.3240 17.3247 17.3247 k = 0.3566 0.5371 0.1836 ( 1056 PWs) bands (ev): -6.0078 -6.0078 -6.0078 -6.0078 -5.3490 -5.3490 -5.3490 -5.3490 -3.2749 -3.2749 -3.2749 -3.2749 6.4069 6.4069 6.4069 6.4069 7.5976 7.5976 7.5976 7.5976 17.2908 17.2908 17.2916 17.2916 k = 0.3527 0.5438 0.1836 ( 1058 PWs) bands (ev): -5.9399 -5.9399 -5.9399 -5.9399 -5.3540 -5.3540 -5.3540 -5.3540 -3.3603 -3.3603 -3.3603 -3.3603 6.5020 6.5020 6.5020 6.5020 7.5096 7.5096 7.5096 7.5096 17.2626 17.2626 17.2634 17.2634 k = 0.3488 0.5505 0.1836 ( 1058 PWs) bands (ev): -5.8703 -5.8703 -5.8702 -5.8702 -5.3708 -5.3708 -5.3708 -5.3708 -3.4316 -3.4316 -3.4316 -3.4316 6.5995 6.5995 6.5995 6.5995 7.4178 7.4178 7.4178 7.4178 17.2395 17.2395 17.2402 17.2402 k = 0.3450 0.5572 0.1836 ( 1058 PWs) bands (ev): -5.7988 -5.7988 -5.7988 -5.7988 -5.4008 -5.4008 -5.4007 -5.4007 -3.4876 -3.4876 -3.4876 -3.4876 6.6993 6.6993 6.6993 6.6993 7.3221 7.3221 7.3221 7.3221 17.2216 17.2216 17.2223 17.2223 k = 0.3411 0.5639 0.1836 ( 1054 PWs) bands (ev): -5.7256 -5.7256 -5.7255 -5.7255 -5.4446 -5.4446 -5.4445 -5.4445 -3.5273 -3.5273 -3.5273 -3.5273 6.8014 6.8014 6.8014 6.8014 7.2227 7.2227 7.2227 7.2227 17.2089 17.2089 17.2096 17.2096 k = 0.3372 0.5706 0.1836 ( 1050 PWs) bands (ev): -5.6507 -5.6507 -5.6506 -5.6506 -5.5025 -5.5025 -5.5024 -5.5024 -3.5507 -3.5507 -3.5507 -3.5507 6.9058 6.9058 6.9058 6.9058 7.1200 7.1200 7.1200 7.1200 17.2014 17.2014 17.2021 17.2021 k = 0.3333 0.5774 0.1836 ( 1050 PWs) bands (ev): -5.5782 -5.5782 -5.5762 -5.5762 -5.5714 -5.5714 -5.5694 -5.5694 -3.5582 -3.5582 -3.5582 -3.5582 7.0033 7.0033 7.0033 7.0033 7.0230 7.0230 7.0230 7.0230 17.1989 17.1989 17.1996 17.1996 k = 0.3333 0.5774 0.1836 ( 1050 PWs) bands (ev): -5.5782 -5.5782 -5.5762 -5.5762 -5.5714 -5.5714 -5.5694 -5.5694 -3.5582 -3.5582 -3.5582 -3.5582 7.0033 7.0033 7.0033 7.0033 7.0230 7.0230 7.0230 7.0230 17.1989 17.1989 17.1996 17.1996 k = 0.3294 0.5706 0.1836 ( 1050 PWs) bands (ev): -5.6584 -5.6584 -5.6583 -5.6583 -5.4943 -5.4943 -5.4943 -5.4943 -3.5510 -3.5510 -3.5509 -3.5509 6.9017 6.9017 6.9017 6.9017 7.1240 7.1240 7.1240 7.1240 17.2014 17.2014 17.2021 17.2021 k = 0.3255 0.5638 0.1836 ( 1056 PWs) bands (ev): -5.7538 -5.7538 -5.7538 -5.7538 -5.4131 -5.4131 -5.4131 -5.4131 -3.5303 -3.5303 -3.5303 -3.5303 6.7879 6.7879 6.7879 6.7879 7.2367 7.2367 7.2367 7.2367 17.2086 17.2086 17.2093 17.2093 k = 0.3216 0.5570 0.1836 ( 1056 PWs) bands (ev): -5.8583 -5.8583 -5.8583 -5.8583 -5.3301 -5.3301 -5.3301 -5.3301 -3.4977 -3.4977 -3.4977 -3.4977 6.6710 6.6710 6.6710 6.6710 7.3518 7.3518 7.3518 7.3518 17.2204 17.2204 17.2211 17.2211 k = 0.3176 0.5502 0.1836 ( 1056 PWs) bands (ev): -5.9704 -5.9704 -5.9703 -5.9703 -5.2454 -5.2454 -5.2453 -5.2453 -3.4549 -3.4549 -3.4549 -3.4549 6.5513 6.5513 6.5513 6.5513 7.4692 7.4692 7.4692 7.4692 17.2362 17.2362 17.2370 17.2370 k = 0.3137 0.5434 0.1836 ( 1056 PWs) bands (ev): -6.0884 -6.0884 -6.0884 -6.0884 -5.1588 -5.1588 -5.1588 -5.1588 -3.4033 -3.4033 -3.4033 -3.4033 6.4291 6.4291 6.4291 6.4291 7.5890 7.5890 7.5890 7.5890 17.2559 17.2559 17.2566 17.2566 k = 0.3098 0.5366 0.1836 ( 1056 PWs) bands (ev): -6.2111 -6.2111 -6.2111 -6.2111 -5.0705 -5.0705 -5.0704 -5.0704 -3.3443 -3.3443 -3.3443 -3.3443 6.3046 6.3046 6.3046 6.3046 7.7110 7.7110 7.7110 7.7110 17.2789 17.2789 17.2796 17.2796 k = 0.3059 0.5298 0.1836 ( 1048 PWs) bands (ev): -6.3375 -6.3375 -6.3375 -6.3375 -4.9803 -4.9803 -4.9803 -4.9803 -3.2787 -3.2787 -3.2787 -3.2787 6.1781 6.1781 6.1781 6.1781 7.8354 7.8354 7.8354 7.8354 17.3047 17.3047 17.3054 17.3054 k = 0.3020 0.5230 0.1836 ( 1044 PWs) bands (ev): -6.4666 -6.4666 -6.4666 -6.4666 -4.8884 -4.8884 -4.8884 -4.8884 -3.2075 -3.2075 -3.2075 -3.2075 6.0496 6.0496 6.0496 6.0496 7.9619 7.9619 7.9620 7.9620 17.3328 17.3328 17.3336 17.3336 k = 0.2980 0.5162 0.1836 ( 1048 PWs) bands (ev): -6.5978 -6.5978 -6.5978 -6.5978 -4.7948 -4.7948 -4.7948 -4.7948 -3.1315 -3.1315 -3.1315 -3.1315 5.9195 5.9195 5.9195 5.9195 8.0906 8.0906 8.0907 8.0907 17.3626 17.3626 17.3633 17.3633 k = 0.2941 0.5094 0.1836 ( 1044 PWs) bands (ev): -6.7303 -6.7303 -6.7303 -6.7303 -4.6994 -4.6994 -4.6994 -4.6994 -3.0512 -3.0512 -3.0511 -3.0511 5.7880 5.7880 5.7880 5.7880 8.2216 8.2216 8.2216 8.2216 17.3933 17.3933 17.3941 17.3941 k = 0.2902 0.5026 0.1836 ( 1044 PWs) bands (ev): -6.8638 -6.8638 -6.8638 -6.8638 -4.6023 -4.6023 -4.6023 -4.6023 -2.9670 -2.9670 -2.9670 -2.9670 5.6552 5.6552 5.6552 5.6552 8.3546 8.3546 8.3546 8.3546 17.4243 17.4243 17.4252 17.4252 k = 0.2863 0.4958 0.1836 ( 1040 PWs) bands (ev): -6.9978 -6.9978 -6.9978 -6.9978 -4.5034 -4.5034 -4.5034 -4.5034 -2.8793 -2.8793 -2.8793 -2.8793 5.5213 5.5213 5.5213 5.5213 8.4897 8.4897 8.4897 8.4897 17.4548 17.4548 17.4557 17.4557 k = 0.2824 0.4890 0.1836 ( 1046 PWs) bands (ev): -7.1320 -7.1320 -7.1320 -7.1320 -4.4029 -4.4029 -4.4029 -4.4029 -2.7886 -2.7886 -2.7886 -2.7886 5.3865 5.3865 5.3865 5.3865 8.6269 8.6269 8.6269 8.6269 17.4839 17.4839 17.4847 17.4847 k = 0.2784 0.4823 0.1836 ( 1046 PWs) bands (ev): -7.2661 -7.2661 -7.2661 -7.2661 -4.3007 -4.3007 -4.3007 -4.3007 -2.6951 -2.6951 -2.6951 -2.6951 5.2511 5.2511 5.2511 5.2511 8.7662 8.7662 8.7662 8.7662 17.5107 17.5107 17.5115 17.5115 k = 0.2745 0.4755 0.1836 ( 1046 PWs) bands (ev): -7.3998 -7.3998 -7.3998 -7.3998 -4.1968 -4.1968 -4.1968 -4.1968 -2.5989 -2.5989 -2.5989 -2.5989 5.1152 5.1152 5.1152 5.1152 8.9075 8.9075 8.9075 8.9075 17.5342 17.5342 17.5350 17.5350 k = 0.2706 0.4687 0.1836 ( 1046 PWs) bands (ev): -7.5330 -7.5330 -7.5330 -7.5330 -4.0912 -4.0912 -4.0912 -4.0912 -2.5003 -2.5003 -2.5003 -2.5003 4.9789 4.9789 4.9789 4.9789 9.0508 9.0508 9.0508 9.0508 17.5534 17.5534 17.5543 17.5543 k = 0.2667 0.4619 0.1836 ( 1054 PWs) bands (ev): -7.6655 -7.6655 -7.6655 -7.6655 -3.9839 -3.9839 -3.9839 -3.9839 -2.3996 -2.3996 -2.3996 -2.3996 4.8425 4.8425 4.8425 4.8425 9.1961 9.1961 9.1961 9.1961 17.5675 17.5675 17.5684 17.5684 k = 0.2627 0.4551 0.1836 ( 1058 PWs) bands (ev): -7.7971 -7.7971 -7.7971 -7.7971 -3.8750 -3.8750 -3.8750 -3.8750 -2.2967 -2.2967 -2.2967 -2.2967 4.7060 4.7060 4.7060 4.7060 9.3432 9.3432 9.3432 9.3432 17.5755 17.5755 17.5764 17.5764 k = 0.2588 0.4483 0.1836 ( 1054 PWs) bands (ev): -7.9277 -7.9277 -7.9277 -7.9277 -3.7643 -3.7643 -3.7643 -3.7643 -2.1918 -2.1918 -2.1918 -2.1918 4.5696 4.5696 4.5696 4.5696 9.4923 9.4923 9.4923 9.4923 17.5767 17.5767 17.5776 17.5776 k = 0.2549 0.4415 0.1836 ( 1062 PWs) bands (ev): -8.0573 -8.0573 -8.0573 -8.0573 -3.6522 -3.6522 -3.6522 -3.6522 -2.0852 -2.0852 -2.0852 -2.0852 4.4335 4.4335 4.4335 4.4335 9.6431 9.6431 9.6431 9.6431 17.5703 17.5703 17.5712 17.5712 k = 0.2510 0.4347 0.1836 ( 1062 PWs) bands (ev): -8.1856 -8.1856 -8.1856 -8.1856 -3.5384 -3.5384 -3.5384 -3.5384 -1.9769 -1.9769 -1.9769 -1.9769 4.2979 4.2979 4.2979 4.2979 9.7957 9.7957 9.7957 9.7957 17.5559 17.5559 17.5568 17.5568 k = 0.2471 0.4279 0.1836 ( 1062 PWs) bands (ev): -8.3127 -8.3127 -8.3127 -8.3127 -3.4230 -3.4230 -3.4230 -3.4230 -1.8670 -1.8670 -1.8670 -1.8670 4.1627 4.1627 4.1627 4.1627 9.9502 9.9502 9.9502 9.9502 17.5333 17.5333 17.5341 17.5341 k = 0.2431 0.4211 0.1836 ( 1062 PWs) bands (ev): -8.4384 -8.4384 -8.4384 -8.4384 -3.3060 -3.3060 -3.3060 -3.3060 -1.7555 -1.7555 -1.7555 -1.7555 4.0283 4.0283 4.0283 4.0283 10.1063 10.1063 10.1063 10.1063 17.5023 17.5023 17.5031 17.5031 k = 0.2392 0.4143 0.1836 ( 1062 PWs) bands (ev): -8.5627 -8.5627 -8.5627 -8.5627 -3.1875 -3.1875 -3.1875 -3.1875 -1.6427 -1.6427 -1.6427 -1.6427 3.8945 3.8945 3.8945 3.8945 10.2640 10.2640 10.2640 10.2640 17.4632 17.4632 17.4640 17.4640 k = 0.2353 0.4075 0.1836 ( 1058 PWs) bands (ev): -8.6855 -8.6855 -8.6855 -8.6855 -3.0673 -3.0673 -3.0673 -3.0673 -1.5285 -1.5285 -1.5285 -1.5285 3.7617 3.7617 3.7617 3.7617 10.4236 10.4236 10.4236 10.4236 17.4164 17.4164 17.4171 17.4171 k = 0.2314 0.4007 0.1836 ( 1054 PWs) bands (ev): -8.8068 -8.8068 -8.8068 -8.8068 -2.9457 -2.9457 -2.9457 -2.9457 -1.4131 -1.4131 -1.4131 -1.4131 3.6298 3.6298 3.6298 3.6298 10.5845 10.5845 10.5845 10.5845 17.3623 17.3623 17.3630 17.3630 k = 0.2275 0.3940 0.1836 ( 1054 PWs) bands (ev): -8.9265 -8.9265 -8.9265 -8.9265 -2.8226 -2.8226 -2.8226 -2.8226 -1.2965 -1.2965 -1.2965 -1.2965 3.4990 3.4990 3.4990 3.4990 10.7469 10.7469 10.7469 10.7469 17.3016 17.3016 17.3022 17.3022 k = 0.2235 0.3872 0.1836 ( 1064 PWs) bands (ev): -9.0447 -9.0447 -9.0447 -9.0447 -2.6981 -2.6981 -2.6981 -2.6981 -1.1790 -1.1790 -1.1790 -1.1790 3.3692 3.3692 3.3692 3.3692 10.9107 10.9107 10.9107 10.9107 17.2350 17.2350 17.2355 17.2355 k = 0.2196 0.3804 0.1836 ( 1064 PWs) bands (ev): -9.1611 -9.1611 -9.1611 -9.1611 -2.5721 -2.5721 -2.5721 -2.5721 -1.0604 -1.0604 -1.0604 -1.0604 3.2408 3.2408 3.2408 3.2408 11.0758 11.0758 11.0758 11.0758 17.1631 17.1631 17.1636 17.1636 k = 0.2157 0.3736 0.1836 ( 1064 PWs) bands (ev): -9.2758 -9.2758 -9.2758 -9.2758 -2.4447 -2.4447 -2.4447 -2.4447 -0.9409 -0.9409 -0.9409 -0.9409 3.1137 3.1137 3.1137 3.1137 11.2422 11.2422 11.2423 11.2423 17.0868 17.0868 17.0873 17.0873 k = 0.2118 0.3668 0.1836 ( 1058 PWs) bands (ev): -9.3888 -9.3888 -9.3888 -9.3888 -2.3158 -2.3158 -2.3158 -2.3158 -0.8206 -0.8206 -0.8206 -0.8206 2.9881 2.9881 2.9881 2.9881 11.4100 11.4100 11.4100 11.4100 17.0067 17.0067 17.0071 17.0071 k = 0.2078 0.3600 0.1836 ( 1066 PWs) bands (ev): -9.5001 -9.5001 -9.5001 -9.5001 -2.1857 -2.1857 -2.1857 -2.1857 -0.6996 -0.6996 -0.6996 -0.6996 2.8638 2.8638 2.8638 2.8638 11.5787 11.5787 11.5787 11.5787 16.9234 16.9234 16.9238 16.9238 k = 0.2039 0.3532 0.1836 ( 1066 PWs) bands (ev): -9.6095 -9.6095 -9.6095 -9.6095 -2.0542 -2.0542 -2.0542 -2.0542 -0.5779 -0.5779 -0.5779 -0.5779 2.7411 2.7411 2.7412 2.7412 11.7486 11.7486 11.7486 11.7486 16.8376 16.8376 16.8379 16.8379 k = 0.2000 0.3464 0.1836 ( 1066 PWs) bands (ev): -9.7171 -9.7171 -9.7171 -9.7171 -1.9215 -1.9215 -1.9215 -1.9215 -0.4556 -0.4556 -0.4556 -0.4556 2.6201 2.6201 2.6201 2.6201 11.9194 11.9194 11.9195 11.9195 16.7497 16.7497 16.7500 16.7500 k = 0.1961 0.3396 0.1836 ( 1066 PWs) bands (ev): -9.8229 -9.8229 -9.8229 -9.8229 -1.7875 -1.7875 -1.7875 -1.7875 -0.3328 -0.3328 -0.3328 -0.3328 2.5007 2.5007 2.5007 2.5007 12.0912 12.0912 12.0912 12.0912 16.6603 16.6603 16.6606 16.6606 k = 0.1922 0.3328 0.1836 ( 1066 PWs) bands (ev): -9.9268 -9.9268 -9.9268 -9.9268 -1.6522 -1.6522 -1.6522 -1.6522 -0.2096 -0.2096 -0.2096 -0.2096 2.3830 2.3830 2.3830 2.3830 12.2637 12.2637 12.2637 12.2637 16.5698 16.5698 16.5701 16.5701 k = 0.1882 0.3260 0.1836 ( 1062 PWs) bands (ev): -10.0289 -10.0289 -10.0289 -10.0289 -1.5156 -1.5156 -1.5156 -1.5156 -0.0860 -0.0860 -0.0860 -0.0860 2.2671 2.2671 2.2671 2.2671 12.4371 12.4371 12.4371 12.4371 16.4786 16.4786 16.4789 16.4789 k = 0.1843 0.3192 0.1836 ( 1062 PWs) bands (ev): -10.1290 -10.1290 -10.1290 -10.1290 -1.3781 -1.3781 -1.3781 -1.3781 0.0378 0.0378 0.0378 0.0378 2.1530 2.1530 2.1530 2.1530 12.6109 12.6109 12.6109 12.6109 16.3870 16.3870 16.3873 16.3873 k = 0.1804 0.3124 0.1836 ( 1062 PWs) bands (ev): -10.2272 -10.2272 -10.2272 -10.2272 -1.2395 -1.2395 -1.2395 -1.2395 0.1617 0.1617 0.1617 0.1617 2.0408 2.0408 2.0408 2.0408 12.7853 12.7853 12.7853 12.7853 16.2953 16.2953 16.2956 16.2956 k = 0.1765 0.3057 0.1836 ( 1062 PWs) bands (ev): -10.3235 -10.3235 -10.3235 -10.3235 -1.0999 -1.0999 -1.0999 -1.0999 0.2856 0.2856 0.2856 0.2856 1.9305 1.9305 1.9305 1.9305 12.9600 12.9600 12.9600 12.9600 16.2039 16.2039 16.2042 16.2042 k = 0.1725 0.2989 0.1836 ( 1066 PWs) bands (ev): -10.4178 -10.4178 -10.4178 -10.4178 -0.9594 -0.9594 -0.9594 -0.9594 0.4094 0.4094 0.4094 0.4094 1.8222 1.8222 1.8222 1.8222 13.1348 13.1348 13.1348 13.1348 16.1130 16.1130 16.1132 16.1132 k = 0.1686 0.2921 0.1836 ( 1066 PWs) bands (ev): -10.5102 -10.5102 -10.5102 -10.5102 -0.8179 -0.8179 -0.8179 -0.8179 0.5332 0.5332 0.5332 0.5332 1.7159 1.7159 1.7159 1.7159 13.3100 13.3100 13.3100 13.3100 16.0227 16.0227 16.0229 16.0229 k = 0.1647 0.2853 0.1836 ( 1066 PWs) bands (ev): -10.6005 -10.6005 -10.6005 -10.6005 -0.6756 -0.6756 -0.6756 -0.6756 0.6566 0.6566 0.6566 0.6566 1.6116 1.6116 1.6116 1.6116 13.4851 13.4851 13.4851 13.4851 15.9333 15.9333 15.9335 15.9335 k = 0.1608 0.2785 0.1836 ( 1062 PWs) bands (ev): -10.6889 -10.6889 -10.6889 -10.6889 -0.5324 -0.5324 -0.5324 -0.5324 0.7798 0.7798 0.7798 0.7798 1.5094 1.5094 1.5094 1.5094 13.6600 13.6600 13.6601 13.6601 15.8450 15.8450 15.8452 15.8452 k = 0.1569 0.2717 0.1836 ( 1062 PWs) bands (ev): -10.7753 -10.7753 -10.7753 -10.7753 -0.3886 -0.3886 -0.3886 -0.3886 0.9024 0.9024 0.9024 0.9024 1.4094 1.4094 1.4094 1.4094 13.8347 13.8347 13.8347 13.8347 15.7579 15.7579 15.7581 15.7581 k = 0.1529 0.2649 0.1836 ( 1058 PWs) bands (ev): -10.8596 -10.8596 -10.8596 -10.8596 -0.2441 -0.2441 -0.2441 -0.2441 1.0245 1.0245 1.0245 1.0245 1.3114 1.3114 1.3114 1.3114 14.0090 14.0090 14.0090 14.0090 15.6722 15.6722 15.6724 15.6724 k = 0.1490 0.2581 0.1836 ( 1058 PWs) bands (ev): -10.9420 -10.9420 -10.9420 -10.9420 -0.0992 -0.0992 -0.0992 -0.0992 1.1460 1.1460 1.1460 1.1460 1.2156 1.2156 1.2156 1.2156 14.1825 14.1825 14.1825 14.1825 15.5880 15.5880 15.5883 15.5883 k = 0.1451 0.2513 0.1836 ( 1056 PWs) bands (ev): -11.0223 -11.0223 -11.0223 -11.0223 0.0463 0.0463 0.0463 0.0463 1.1220 1.1220 1.1220 1.1220 1.2667 1.2667 1.2667 1.2667 14.3553 14.3553 14.3553 14.3553 15.5056 15.5056 15.5058 15.5058 k = 0.1412 0.2445 0.1836 ( 1048 PWs) bands (ev): -11.1005 -11.1005 -11.1005 -11.1005 0.1920 0.1920 0.1920 0.1920 1.0308 1.0308 1.0308 1.0308 1.3863 1.3863 1.3863 1.3863 14.5265 14.5265 14.5266 14.5266 15.4251 15.4251 15.4253 15.4253 k = 0.1373 0.2377 0.1836 ( 1048 PWs) bands (ev): -11.1767 -11.1767 -11.1767 -11.1767 0.3379 0.3379 0.3379 0.3379 0.9419 0.9419 0.9419 0.9419 1.5049 1.5049 1.5049 1.5049 14.6959 14.6959 14.6960 14.6960 15.3469 15.3469 15.3471 15.3471 k = 0.1333 0.2309 0.1836 ( 1048 PWs) bands (ev): -11.2508 -11.2508 -11.2508 -11.2508 0.4838 0.4838 0.4838 0.4838 0.8553 0.8553 0.8553 0.8553 1.6224 1.6224 1.6224 1.6224 14.8622 14.8622 14.8623 14.8623 15.2720 15.2720 15.2722 15.2722 k = 0.1294 0.2241 0.1836 ( 1048 PWs) bands (ev): -11.3228 -11.3228 -11.3228 -11.3228 0.6289 0.6289 0.6289 0.6289 0.7718 0.7718 0.7718 0.7718 1.7385 1.7385 1.7385 1.7385 15.0191 15.0191 15.0192 15.0192 15.2065 15.2065 15.2067 15.2067 k = 0.1255 0.2174 0.1836 ( 1048 PWs) bands (ev): -11.3928 -11.3928 -11.3928 -11.3928 0.6855 0.6855 0.6856 0.6856 0.7790 0.7790 0.7790 0.7790 1.8533 1.8533 1.8533 1.8533 15.0880 15.0880 15.0882 15.0882 15.2286 15.2286 15.2286 15.2286 k = 0.1216 0.2106 0.1836 ( 1048 PWs) bands (ev): -11.4606 -11.4606 -11.4606 -11.4606 0.6075 0.6075 0.6075 0.6075 0.9229 0.9229 0.9230 0.9230 1.9665 1.9665 1.9665 1.9665 15.0336 15.0336 15.0339 15.0339 15.3728 15.3728 15.3728 15.3728 k = 0.1176 0.2038 0.1836 ( 1052 PWs) bands (ev): -11.5264 -11.5264 -11.5264 -11.5264 0.5304 0.5304 0.5304 0.5304 1.0680 1.0680 1.0680 1.0680 2.0779 2.0779 2.0779 2.0779 14.9675 14.9675 14.9677 14.9677 15.5260 15.5260 15.5261 15.5261 k = 0.1137 0.1970 0.1836 ( 1052 PWs) bands (ev): -11.5901 -11.5901 -11.5901 -11.5901 0.4555 0.4555 0.4555 0.4555 1.2126 1.2126 1.2126 1.2126 2.1876 2.1876 2.1876 2.1876 14.9014 14.9014 14.9016 14.9016 15.6740 15.6740 15.6741 15.6741 k = 0.1098 0.1902 0.1836 ( 1052 PWs) bands (ev): -11.6516 -11.6516 -11.6516 -11.6516 0.3829 0.3829 0.3829 0.3829 1.3566 1.3566 1.3566 1.3566 2.2953 2.2953 2.2953 2.2953 14.8366 14.8366 14.8369 14.8369 15.8070 15.8070 15.8072 15.8072 k = 0.1059 0.1834 0.1836 ( 1052 PWs) bands (ev): -11.7111 -11.7111 -11.7111 -11.7111 0.3127 0.3127 0.3127 0.3127 1.4997 1.4997 1.4997 1.4997 2.4009 2.4009 2.4009 2.4009 14.7738 14.7738 14.7740 14.7740 15.9032 15.9032 15.9034 15.9034 k = 0.1020 0.1766 0.1836 ( 1052 PWs) bands (ev): -11.7684 -11.7684 -11.7684 -11.7684 0.2449 0.2449 0.2449 0.2449 1.6417 1.6417 1.6417 1.6417 2.5043 2.5043 2.5043 2.5043 14.7130 14.7130 14.7132 14.7132 15.9354 15.9354 15.9355 15.9355 k = 0.0980 0.1698 0.1836 ( 1048 PWs) bands (ev): -11.8236 -11.8236 -11.8236 -11.8236 0.1796 0.1796 0.1796 0.1796 1.7827 1.7827 1.7827 1.7827 2.6054 2.6054 2.6054 2.6054 14.6543 14.6543 14.6545 14.6545 15.9210 15.9210 15.9212 15.9212 k = 0.0941 0.1630 0.1836 ( 1052 PWs) bands (ev): -11.8767 -11.8767 -11.8767 -11.8767 0.1167 0.1167 0.1167 0.1167 1.9218 1.9218 1.9218 1.9218 2.7038 2.7038 2.7038 2.7038 14.5978 14.5978 14.5980 14.5980 15.8893 15.8893 15.8894 15.8894 k = 0.0902 0.1562 0.1836 ( 1052 PWs) bands (ev): -11.9276 -11.9276 -11.9276 -11.9276 0.0563 0.0563 0.0563 0.0563 2.0592 2.0592 2.0592 2.0592 2.7996 2.7996 2.7996 2.7996 14.5435 14.5435 14.5437 14.5437 15.8522 15.8522 15.8523 15.8523 k = 0.0863 0.1494 0.1836 ( 1056 PWs) bands (ev): -11.9764 -11.9764 -11.9764 -11.9764 -0.0016 -0.0016 -0.0016 -0.0016 2.1946 2.1946 2.1946 2.1946 2.8925 2.8925 2.8925 2.8925 14.4915 14.4915 14.4917 14.4917 15.8140 15.8140 15.8140 15.8140 k = 0.0824 0.1426 0.1836 ( 1058 PWs) bands (ev): -12.0231 -12.0231 -12.0231 -12.0231 -0.0571 -0.0571 -0.0571 -0.0571 2.3277 2.3277 2.3277 2.3277 2.9825 2.9825 2.9825 2.9825 14.4418 14.4418 14.4420 14.4420 15.7761 15.7761 15.7761 15.7761 k = 0.0784 0.1358 0.1836 ( 1058 PWs) bands (ev): -12.0676 -12.0676 -12.0676 -12.0676 -0.1100 -0.1100 -0.1100 -0.1100 2.4582 2.4582 2.4582 2.4582 3.0695 3.0695 3.0695 3.0695 14.3944 14.3944 14.3946 14.3946 15.7395 15.7395 15.7395 15.7395 k = 0.0745 0.1291 0.1836 ( 1058 PWs) bands (ev): -12.1100 -12.1100 -12.1100 -12.1100 -0.1603 -0.1603 -0.1603 -0.1603 2.5858 2.5858 2.5858 2.5858 3.1532 3.1532 3.1532 3.1532 14.3493 14.3493 14.3495 14.3495 15.7045 15.7045 15.7045 15.7045 k = 0.0706 0.1223 0.1836 ( 1062 PWs) bands (ev): -12.1502 -12.1502 -12.1502 -12.1502 -0.2082 -0.2082 -0.2082 -0.2082 2.7101 2.7101 2.7101 2.7101 3.2336 3.2336 3.2336 3.2336 14.3065 14.3065 14.3067 14.3067 15.6709 15.6709 15.6709 15.6709 k = 0.0667 0.1155 0.1836 ( 1064 PWs) bands (ev): -12.1883 -12.1883 -12.1883 -12.1883 -0.2535 -0.2535 -0.2535 -0.2535 2.8308 2.8308 2.8308 2.8308 3.3105 3.3105 3.3105 3.3105 14.2660 14.2660 14.2662 14.2662 15.6395 15.6395 15.6395 15.6395 k = 0.0627 0.1087 0.1836 ( 1068 PWs) bands (ev): -12.2242 -12.2242 -12.2242 -12.2242 -0.2963 -0.2963 -0.2963 -0.2963 2.9478 2.9478 2.9478 2.9478 3.3837 3.3837 3.3837 3.3837 14.2278 14.2278 14.2280 14.2280 15.6099 15.6099 15.6099 15.6099 k = 0.0588 0.1019 0.1836 ( 1068 PWs) bands (ev): -12.2579 -12.2579 -12.2579 -12.2579 -0.3365 -0.3365 -0.3365 -0.3365 3.0605 3.0605 3.0605 3.0605 3.4532 3.4532 3.4532 3.4532 14.1920 14.1920 14.1922 14.1922 15.5823 15.5823 15.5823 15.5823 k = 0.0549 0.0951 0.1836 ( 1068 PWs) bands (ev): -12.2895 -12.2895 -12.2895 -12.2895 -0.3741 -0.3741 -0.3741 -0.3741 3.1685 3.1685 3.1685 3.1685 3.5189 3.5189 3.5189 3.5189 14.1585 14.1585 14.1587 14.1587 15.5566 15.5566 15.5566 15.5566 k = 0.0510 0.0883 0.1836 ( 1072 PWs) bands (ev): -12.3189 -12.3189 -12.3189 -12.3189 -0.4092 -0.4092 -0.4092 -0.4092 3.2714 3.2714 3.2714 3.2714 3.5805 3.5805 3.5805 3.5805 14.1274 14.1274 14.1276 14.1276 15.5326 15.5326 15.5326 15.5326 k = 0.0471 0.0815 0.1836 ( 1074 PWs) bands (ev): -12.3461 -12.3461 -12.3461 -12.3461 -0.4417 -0.4417 -0.4417 -0.4417 3.3690 3.3690 3.3690 3.3690 3.6381 3.6381 3.6381 3.6381 14.0985 14.0985 14.0988 14.0988 15.5107 15.5107 15.5107 15.5107 k = 0.0431 0.0747 0.1836 ( 1070 PWs) bands (ev): -12.3712 -12.3712 -12.3712 -12.3712 -0.4717 -0.4717 -0.4716 -0.4716 3.4607 3.4607 3.4607 3.4607 3.6916 3.6916 3.6916 3.6916 14.0720 14.0720 14.0723 14.0723 15.4907 15.4907 15.4907 15.4907 k = 0.0392 0.0679 0.1836 ( 1070 PWs) bands (ev): -12.3941 -12.3941 -12.3941 -12.3941 -0.4990 -0.4990 -0.4990 -0.4990 3.5462 3.5462 3.5462 3.5462 3.7406 3.7406 3.7406 3.7406 14.0479 14.0479 14.0481 14.0481 15.4726 15.4726 15.4726 15.4726 k = 0.0353 0.0611 0.1836 ( 1070 PWs) bands (ev): -12.4148 -12.4148 -12.4148 -12.4148 -0.5237 -0.5237 -0.5237 -0.5237 3.6250 3.6250 3.6250 3.6250 3.7854 3.7854 3.7854 3.7854 14.0260 14.0260 14.0262 14.0262 15.4564 15.4564 15.4564 15.4564 k = 0.0314 0.0543 0.1836 ( 1066 PWs) bands (ev): -12.4333 -12.4333 -12.4333 -12.4333 -0.5459 -0.5459 -0.5459 -0.5459 3.6969 3.6969 3.6969 3.6969 3.8256 3.8256 3.8256 3.8256 14.0065 14.0065 14.0067 14.0067 15.4419 15.4419 15.4419 15.4419 k = 0.0275 0.0475 0.1836 ( 1066 PWs) bands (ev): -12.4497 -12.4497 -12.4497 -12.4497 -0.5655 -0.5655 -0.5655 -0.5655 3.7615 3.7615 3.7615 3.7615 3.8614 3.8614 3.8614 3.8614 13.9892 13.9892 13.9895 13.9895 15.4294 15.4294 15.4294 15.4294 k = 0.0235 0.0408 0.1836 ( 1066 PWs) bands (ev): -12.4638 -12.4638 -12.4638 -12.4638 -0.5824 -0.5824 -0.5824 -0.5824 3.8180 3.8180 3.8180 3.8180 3.8925 3.8925 3.8925 3.8925 13.9743 13.9743 13.9746 13.9746 15.4185 15.4185 15.4185 15.4185 k = 0.0196 0.0340 0.1836 ( 1070 PWs) bands (ev): -12.4758 -12.4758 -12.4758 -12.4758 -0.5968 -0.5968 -0.5968 -0.5968 3.8662 3.8662 3.8662 3.8662 3.9190 3.9190 3.9190 3.9190 13.9617 13.9617 13.9619 13.9619 15.4090 15.4090 15.4090 15.4090 k = 0.0157 0.0272 0.1836 ( 1070 PWs) bands (ev): -12.4857 -12.4857 -12.4857 -12.4857 -0.6085 -0.6085 -0.6085 -0.6085 3.9060 3.9060 3.9060 3.9060 3.9408 3.9408 3.9408 3.9408 13.9514 13.9514 13.9516 13.9516 15.4014 15.4014 15.4014 15.4014 k = 0.0118 0.0204 0.1836 ( 1070 PWs) bands (ev): -12.4933 -12.4933 -12.4933 -12.4933 -0.6177 -0.6177 -0.6177 -0.6177 3.9371 3.9371 3.9371 3.9371 3.9581 3.9581 3.9581 3.9581 13.9434 13.9434 13.9436 13.9436 15.3954 15.3954 15.3954 15.3954 k = 0.0078 0.0136 0.1836 ( 1070 PWs) bands (ev): -12.4987 -12.4987 -12.4987 -12.4987 -0.6242 -0.6242 -0.6242 -0.6242 3.9587 3.9587 3.9587 3.9587 3.9712 3.9712 3.9712 3.9712 13.9376 13.9376 13.9379 13.9379 15.3908 15.3908 15.3908 15.3908 k = 0.0039 0.0068 0.1836 ( 1070 PWs) bands (ev): -12.5020 -12.5020 -12.5020 -12.5020 -0.6281 -0.6281 -0.6281 -0.6281 3.9707 3.9707 3.9707 3.9707 3.9801 3.9801 3.9801 3.9801 13.9342 13.9342 13.9344 13.9344 15.3869 15.3869 15.3869 15.3869 k = 0.0000 0.0000 0.1836 ( 1070 PWs) bands (ev): -12.5031 -12.5031 -12.5031 -12.5031 -0.6294 -0.6294 -0.6294 -0.6294 3.9743 3.9743 3.9743 3.9743 3.9834 3.9834 3.9834 3.9834 13.9331 13.9331 13.9333 13.9333 15.3845 15.3845 15.3846 15.3848 k = 0.5000 0.2887 0.1836 ( 1068 PWs) bands (ev): -7.2519 -7.2519 -7.2519 -7.2519 -6.2287 -6.2287 -6.2287 -6.2287 0.5888 0.5888 0.5888 0.5888 4.6477 4.6477 4.6477 4.6477 8.6703 8.6703 8.6703 8.6703 14.4567 14.4567 14.4567 14.4567 k = 0.5000 0.2887 0.1759 ( 1064 PWs) bands (ev): -7.2556 -7.2556 -7.2482 -7.2482 -6.2315 -6.2315 -6.2259 -6.2259 0.5870 0.5870 0.5906 0.5906 4.6240 4.6240 4.6710 4.6710 8.6481 8.6481 8.6942 8.6942 14.4438 14.4438 14.4698 14.4698 k = 0.5000 0.2887 0.1683 ( 1064 PWs) bands (ev): -7.2594 -7.2594 -7.2446 -7.2446 -6.2341 -6.2341 -6.2230 -6.2230 0.5852 0.5852 0.5924 0.5924 4.5998 4.5998 4.6936 4.6936 8.6276 8.6276 8.7195 8.7195 14.4309 14.4309 14.4828 14.4828 k = 0.5000 0.2887 0.1606 ( 1064 PWs) bands (ev): -7.2631 -7.2631 -7.2411 -7.2411 -6.2367 -6.2367 -6.2200 -6.2200 0.5834 0.5834 0.5942 0.5942 4.5754 4.5754 4.7154 4.7154 8.6089 8.6089 8.7462 8.7462 14.4183 14.4183 14.4957 14.4957 k = 0.5000 0.2887 0.1530 ( 1064 PWs) bands (ev): -7.2669 -7.2669 -7.2376 -7.2376 -6.2391 -6.2391 -6.2170 -6.2170 0.5817 0.5817 0.5959 0.5959 4.5508 4.5508 4.7363 4.7363 8.5920 8.5920 8.7739 8.7739 14.4058 14.4058 14.5085 14.5085 k = 0.5000 0.2887 0.1453 ( 1068 PWs) bands (ev): -7.2706 -7.2706 -7.2343 -7.2343 -6.2415 -6.2415 -6.2140 -6.2140 0.5799 0.5799 0.5977 0.5977 4.5263 4.5263 4.7563 4.7563 8.5769 8.5769 8.8026 8.8026 14.3935 14.3935 14.5211 14.5211 k = 0.5000 0.2887 0.1377 ( 1064 PWs) bands (ev): -7.2742 -7.2742 -7.2311 -7.2311 -6.2436 -6.2436 -6.2110 -6.2110 0.5783 0.5783 0.5994 0.5994 4.5020 4.5020 4.7754 4.7754 8.5640 8.5640 8.8322 8.8322 14.3816 14.3816 14.5335 14.5335 k = 0.5000 0.2887 0.1300 ( 1066 PWs) bands (ev): -7.2779 -7.2779 -7.2280 -7.2280 -6.2457 -6.2457 -6.2080 -6.2080 0.5766 0.5766 0.6009 0.6009 4.4781 4.4781 4.7932 4.7932 8.5528 8.5528 8.8622 8.8622 14.3700 14.3700 14.5455 14.5455 k = 0.5000 0.2887 0.1224 ( 1066 PWs) bands (ev): -7.2814 -7.2814 -7.2250 -7.2250 -6.2476 -6.2476 -6.2050 -6.2050 0.5751 0.5751 0.6025 0.6025 4.4545 4.4545 4.8099 4.8099 8.5435 8.5435 8.8923 8.8923 14.3589 14.3589 14.5572 14.5572 k = 0.5000 0.2887 0.1147 ( 1066 PWs) bands (ev): -7.2848 -7.2848 -7.2222 -7.2222 -6.2494 -6.2494 -6.2021 -6.2021 0.5735 0.5735 0.6040 0.6040 4.4317 4.4317 4.8253 4.8253 8.5359 8.5359 8.9224 8.9224 14.3482 14.3482 14.5685 14.5685 k = 0.5000 0.2887 0.1071 ( 1062 PWs) bands (ev): -7.2881 -7.2881 -7.2196 -7.2196 -6.2510 -6.2510 -6.1993 -6.1993 0.5721 0.5721 0.6055 0.6055 4.4096 4.4096 4.8396 4.8396 8.5299 8.5299 8.9521 8.9521 14.3380 14.3380 14.5794 14.5794 k = 0.5000 0.2887 0.0994 ( 1058 PWs) bands (ev): -7.2913 -7.2913 -7.2171 -7.2171 -6.2525 -6.2525 -6.1965 -6.1965 0.5708 0.5708 0.6070 0.6070 4.3884 4.3884 4.8527 4.8527 8.5255 8.5255 8.9816 8.9816 14.3283 14.3283 14.5897 14.5897 k = 0.5000 0.2887 0.0918 ( 1060 PWs) bands (ev): -7.2943 -7.2943 -7.2148 -7.2148 -6.2539 -6.2539 -6.1939 -6.1939 0.5694 0.5694 0.6083 0.6083 4.3682 4.3682 4.8646 4.8646 8.5224 8.5224 9.0100 9.0100 14.3191 14.3191 14.5995 14.5995 k = 0.5000 0.2887 0.0841 ( 1064 PWs) bands (ev): -7.2971 -7.2971 -7.2127 -7.2127 -6.2551 -6.2551 -6.1914 -6.1914 0.5682 0.5682 0.6096 0.6096 4.3491 4.3491 4.8751 4.8751 8.5204 8.5204 9.0373 9.0373 14.3106 14.3106 14.6086 14.6086 k = 0.5000 0.2887 0.0765 ( 1054 PWs) bands (ev): -7.2997 -7.2997 -7.2107 -7.2107 -6.2561 -6.2561 -6.1890 -6.1890 0.5672 0.5672 0.6107 0.6107 4.3314 4.3314 4.8848 4.8848 8.5196 8.5196 9.0633 9.0633 14.3027 14.3027 14.6171 14.6171 k = 0.5000 0.2887 0.0688 ( 1054 PWs) bands (ev): -7.3021 -7.3021 -7.2089 -7.2089 -6.2571 -6.2571 -6.1868 -6.1868 0.5661 0.5661 0.6118 0.6118 4.3150 4.3150 4.8933 4.8933 8.5195 8.5195 9.0877 9.0877 14.2955 14.2955 14.6250 14.6250 k = 0.5000 0.2887 0.0612 ( 1052 PWs) bands (ev): -7.3044 -7.3044 -7.2073 -7.2073 -6.2580 -6.2580 -6.1848 -6.1848 0.5652 0.5652 0.6128 0.6128 4.3002 4.3002 4.9007 4.9007 8.5201 8.5201 9.1102 9.1102 14.2889 14.2889 14.6320 14.6320 k = 0.5000 0.2887 0.0535 ( 1056 PWs) bands (ev): -7.3063 -7.3063 -7.2059 -7.2059 -6.2587 -6.2587 -6.1831 -6.1831 0.5643 0.5643 0.6136 0.6136 4.2868 4.2868 4.9071 4.9071 8.5211 8.5211 9.1306 9.1306 14.2831 14.2831 14.6383 14.6383 k = 0.5000 0.2887 0.0459 ( 1056 PWs) bands (ev): -7.3081 -7.3081 -7.2047 -7.2047 -6.2594 -6.2594 -6.1815 -6.1815 0.5636 0.5636 0.6144 0.6144 4.2750 4.2750 4.9126 4.9126 8.5224 8.5224 9.1488 9.1488 14.2779 14.2779 14.6439 14.6439 k = 0.5000 0.2887 0.0382 ( 1060 PWs) bands (ev): -7.3096 -7.3096 -7.2036 -7.2036 -6.2599 -6.2599 -6.1801 -6.1801 0.5630 0.5630 0.6146 0.6146 4.2650 4.2650 4.9171 4.9171 8.5237 8.5237 9.1645 9.1645 14.2736 14.2736 14.6484 14.6484 k = 0.5000 0.2887 0.0306 ( 1060 PWs) bands (ev): -7.3108 -7.3108 -7.2028 -7.2028 -6.2603 -6.2603 -6.1790 -6.1790 0.5625 0.5625 0.6152 0.6152 4.2567 4.2567 4.9207 4.9207 8.5251 8.5251 9.1776 9.1776 14.2700 14.2700 14.6523 14.6523 k = 0.5000 0.2887 0.0229 ( 1060 PWs) bands (ev): -7.3118 -7.3118 -7.2021 -7.2021 -6.2606 -6.2606 -6.1781 -6.1781 0.5621 0.5621 0.6156 0.6156 4.2501 4.2501 4.9235 4.9235 8.5263 8.5263 9.1879 9.1879 14.2672 14.2672 14.6553 14.6553 k = 0.5000 0.2887 0.0153 ( 1056 PWs) bands (ev): -7.3124 -7.3124 -7.2016 -7.2016 -6.2608 -6.2608 -6.1774 -6.1774 0.5618 0.5618 0.6159 0.6159 4.2457 4.2457 4.9256 4.9256 8.5273 8.5273 9.1954 9.1954 14.2652 14.2652 14.6575 14.6575 k = 0.5000 0.2887 0.0076 ( 1062 PWs) bands (ev): -7.3129 -7.3129 -7.2014 -7.2014 -6.2610 -6.2610 -6.1771 -6.1771 0.5616 0.5616 0.6160 0.6160 4.2428 4.2428 4.9267 4.9267 8.5277 8.5277 9.1999 9.1999 14.2639 14.2639 14.6588 14.6588 k = 0.5000 0.2887-0.0000 ( 1064 PWs) bands (ev): -7.3131 -7.3131 -7.2013 -7.2013 -6.2611 -6.2611 -6.1770 -6.1770 0.5614 0.5614 0.6161 0.6161 4.2419 4.2419 4.9271 4.9271 8.5278 8.5278 9.2014 9.2014 14.2635 14.2635 14.6592 14.6592 k = 0.3333 0.5774-0.0000 ( 1065 PWs) bands (ev): -5.6700 -5.6700 -5.5736 -5.5736 -5.5716 -5.5716 -5.4804 -5.4804 -3.5535 -3.5535 -3.5535 -3.5535 6.3764 6.3764 6.9900 6.9900 6.9900 6.9900 7.7238 7.7238 18.1699 18.1699 18.1699 18.1699 k = 0.3333 0.5774 0.0076 ( 1071 PWs) bands (ev): -5.6698 -5.6698 -5.5736 -5.5736 -5.5716 -5.5716 -5.4807 -5.4807 -3.5536 -3.5536 -3.5536 -3.5536 6.3776 6.3776 6.9900 6.9900 6.9900 6.9900 7.7218 7.7218 18.1617 18.1617 18.1618 18.1618 k = 0.3333 0.5774 0.0153 ( 1065 PWs) bands (ev): -5.6693 -5.6693 -5.5736 -5.5736 -5.5716 -5.5716 -5.4813 -5.4813 -3.5536 -3.5536 -3.5536 -3.5536 6.3815 6.3815 6.9904 6.9904 6.9904 6.9904 7.7168 7.7168 18.1380 18.1380 18.1381 18.1381 k = 0.3333 0.5774 0.0229 ( 1059 PWs) bands (ev): -5.6683 -5.6683 -5.5735 -5.5735 -5.5715 -5.5715 -5.4823 -5.4823 -3.5537 -3.5537 -3.5537 -3.5537 6.3878 6.3878 6.9912 6.9912 6.9912 6.9912 7.7086 7.7086 18.1009 18.1009 18.1011 18.1011 k = 0.3333 0.5774 0.0306 ( 1059 PWs) bands (ev): -5.6669 -5.6669 -5.5734 -5.5734 -5.5714 -5.5714 -5.4837 -5.4837 -3.5538 -3.5538 -3.5538 -3.5538 6.3966 6.3966 6.9921 6.9921 6.9921 6.9921 7.6970 7.6970 18.0533 18.0533 18.0535 18.0535 k = 0.3333 0.5774 0.0382 ( 1059 PWs) bands (ev): -5.6652 -5.6652 -5.5734 -5.5734 -5.5713 -5.5713 -5.4856 -5.4856 -3.5540 -3.5540 -3.5540 -3.5540 6.4080 6.4080 6.9933 6.9933 6.9933 6.9933 7.6822 7.6822 17.9981 17.9981 17.9983 17.9983 k = 0.3333 0.5774 0.0459 ( 1059 PWs) bands (ev): -5.6631 -5.6631 -5.5733 -5.5733 -5.5712 -5.5712 -5.4879 -5.4879 -3.5542 -3.5542 -3.5542 -3.5542 6.4217 6.4217 6.9947 6.9947 6.9947 6.9947 7.6643 7.6643 17.9378 17.9378 17.9381 17.9381 k = 0.3333 0.5774 0.0535 ( 1053 PWs) bands (ev): -5.6606 -5.6606 -5.5731 -5.5731 -5.5711 -5.5711 -5.4905 -5.4905 -3.5544 -3.5544 -3.5544 -3.5544 6.4382 6.4382 6.9965 6.9965 6.9965 6.9965 7.6435 7.6435 17.8746 17.8746 17.8750 17.8750 k = 0.3333 0.5774 0.0612 ( 1053 PWs) bands (ev): -5.6578 -5.6578 -5.5730 -5.5730 -5.5710 -5.5710 -5.4935 -5.4935 -3.5547 -3.5547 -3.5547 -3.5547 6.4567 6.4567 6.9983 6.9983 6.9983 6.9983 7.6199 7.6199 17.8103 17.8103 17.8107 17.8107 k = 0.3333 0.5774 0.0688 ( 1053 PWs) bands (ev): -5.6547 -5.6547 -5.5729 -5.5729 -5.5708 -5.5708 -5.4969 -5.4969 -3.5550 -3.5550 -3.5550 -3.5550 6.4774 6.4774 7.0002 7.0002 7.0003 7.0003 7.5935 7.5935 17.7460 17.7460 17.7465 17.7465 k = 0.3333 0.5774 0.0765 ( 1053 PWs) bands (ev): -5.6512 -5.6512 -5.5728 -5.5728 -5.5707 -5.5707 -5.5006 -5.5006 -3.5552 -3.5552 -3.5552 -3.5552 6.5003 6.5003 7.0022 7.0022 7.0022 7.0022 7.5647 7.5647 17.6831 17.6831 17.6836 17.6836 k = 0.3333 0.5774 0.0841 ( 1047 PWs) bands (ev): -5.6473 -5.6473 -5.5726 -5.5726 -5.5706 -5.5706 -5.5047 -5.5047 -3.5555 -3.5555 -3.5555 -3.5555 6.5255 6.5255 7.0044 7.0044 7.0044 7.0044 7.5336 7.5336 17.6221 17.6221 17.6226 17.6226 k = 0.3333 0.5774 0.0918 ( 1047 PWs) bands (ev): -5.6432 -5.6432 -5.5725 -5.5725 -5.5704 -5.5704 -5.5091 -5.5091 -3.5558 -3.5558 -3.5558 -3.5558 6.5528 6.5528 7.0065 7.0065 7.0065 7.0065 7.5002 7.5002 17.5638 17.5638 17.5643 17.5643 k = 0.3333 0.5774 0.0994 ( 1047 PWs) bands (ev): -5.6388 -5.6388 -5.5723 -5.5723 -5.5703 -5.5703 -5.5137 -5.5137 -3.5561 -3.5561 -3.5561 -3.5561 6.5820 6.5820 7.0087 7.0087 7.0087 7.0087 7.4649 7.4649 17.5087 17.5087 17.5093 17.5093 k = 0.3333 0.5774 0.1071 ( 1053 PWs) bands (ev): -5.6342 -5.6342 -5.5722 -5.5722 -5.5702 -5.5702 -5.5187 -5.5187 -3.5565 -3.5565 -3.5565 -3.5565 6.6131 6.6131 7.0107 7.0107 7.0108 7.0108 7.4278 7.4278 17.4572 17.4572 17.4578 17.4578 k = 0.3333 0.5774 0.1147 ( 1056 PWs) bands (ev): -5.6293 -5.6293 -5.5721 -5.5721 -5.5701 -5.5701 -5.5240 -5.5240 -3.5569 -3.5569 -3.5568 -3.5568 6.6459 6.6459 7.0127 7.0127 7.0127 7.0127 7.3890 7.3890 17.4098 17.4098 17.4104 17.4104 k = 0.3333 0.5774 0.1224 ( 1056 PWs) bands (ev): -5.6241 -5.6241 -5.5720 -5.5720 -5.5700 -5.5700 -5.5293 -5.5293 -3.5571 -3.5571 -3.5571 -3.5571 6.6805 6.6805 7.0146 7.0146 7.0146 7.0146 7.3490 7.3490 17.3667 17.3667 17.3673 17.3673 k = 0.3333 0.5774 0.1300 ( 1047 PWs) bands (ev): -5.6187 -5.6187 -5.5718 -5.5718 -5.5698 -5.5698 -5.5349 -5.5349 -3.5573 -3.5573 -3.5573 -3.5573 6.7168 6.7168 7.0165 7.0165 7.0165 7.0165 7.3077 7.3077 17.3281 17.3281 17.3288 17.3288 k = 0.3333 0.5774 0.1377 ( 1053 PWs) bands (ev): -5.6131 -5.6131 -5.5717 -5.5717 -5.5697 -5.5697 -5.5407 -5.5407 -3.5575 -3.5575 -3.5575 -3.5575 6.7543 6.7543 7.0180 7.0180 7.0180 7.0180 7.2655 7.2655 17.2943 17.2943 17.2950 17.2950 k = 0.3333 0.5774 0.1453 ( 1053 PWs) bands (ev): -5.6074 -5.6074 -5.5717 -5.5717 -5.5696 -5.5696 -5.5465 -5.5465 -3.5577 -3.5577 -3.5577 -3.5577 6.7934 6.7934 7.0195 7.0195 7.0195 7.0195 7.2225 7.2225 17.2654 17.2654 17.2661 17.2661 k = 0.3333 0.5774 0.1530 ( 1050 PWs) bands (ev): -5.6016 -5.6016 -5.5716 -5.5716 -5.5695 -5.5695 -5.5525 -5.5525 -3.5579 -3.5579 -3.5579 -3.5579 6.8336 6.8336 7.0207 7.0207 7.0207 7.0207 7.1791 7.1791 17.2416 17.2416 17.2423 17.2423 k = 0.3333 0.5774 0.1606 ( 1050 PWs) bands (ev): -5.5956 -5.5956 -5.5715 -5.5715 -5.5695 -5.5695 -5.5586 -5.5586 -3.5580 -3.5580 -3.5580 -3.5580 6.8748 6.8748 7.0217 7.0217 7.0217 7.0217 7.1352 7.1352 17.2230 17.2230 17.2237 17.2237 k = 0.3333 0.5774 0.1683 ( 1050 PWs) bands (ev): -5.5895 -5.5895 -5.5715 -5.5715 -5.5694 -5.5694 -5.5648 -5.5648 -3.5581 -3.5581 -3.5581 -3.5581 6.9170 6.9170 7.0224 7.0224 7.0224 7.0224 7.0911 7.0911 17.2097 17.2097 17.2104 17.2104 k = 0.3333 0.5774 0.1759 ( 1050 PWs) bands (ev): -5.5834 -5.5834 -5.5714 -5.5714 -5.5709 -5.5709 -5.5694 -5.5694 -3.5582 -3.5582 -3.5582 -3.5582 6.9598 6.9598 7.0228 7.0228 7.0228 7.0228 7.0471 7.0471 17.2016 17.2016 17.2023 17.2023 k = 0.3333 0.5774 0.1836 ( 1050 PWs) bands (ev): -5.5782 -5.5782 -5.5762 -5.5762 -5.5714 -5.5714 -5.5694 -5.5694 -3.5582 -3.5582 -3.5582 -3.5582 7.0033 7.0033 7.0033 7.0033 7.0230 7.0230 7.0230 7.0230 17.1989 17.1989 17.1996 17.1996 Writing output data file C.save init_run : 0.07s CPU 0.26s WALL ( 1 calls) electrons : 42.41s CPU 45.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 42.40s CPU 45.40s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 485 calls) cegterg : 39.00s CPU 39.86s WALL ( 603 calls) Called by sum_band: Called by *egterg: h_psi : 17.11s CPU 17.86s WALL ( 9117 calls) s_psi : 0.34s CPU 0.41s WALL ( 9117 calls) g_psi : 0.04s CPU 0.04s WALL ( 8029 calls) cdiaghg : 20.76s CPU 21.23s WALL ( 8514 calls) cegterg:over : 1.18s CPU 1.19s WALL ( 8029 calls) cegterg:upda : 0.92s CPU 0.85s WALL ( 8029 calls) cegterg:last : 0.52s CPU 0.43s WALL ( 1493 calls) cdiaghg:chol : 1.14s CPU 1.10s WALL ( 8514 calls) cdiaghg:inve : 0.30s CPU 0.35s WALL ( 8514 calls) cdiaghg:para : 1.36s CPU 1.40s WALL ( 17028 calls) Called by h_psi: h_psi:vloc : 15.82s CPU 16.46s WALL ( 9117 calls) h_psi:vnl : 1.26s CPU 1.36s WALL ( 9117 calls) add_vuspsi : 0.58s CPU 0.52s WALL ( 9117 calls) General routines calbec : 0.64s CPU 0.82s WALL ( 9117 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.85s CPU 15.48s WALL ( 464160 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.17s WALL ( 970 calls) Parallel routines fft_scatter : 8.36s CPU 8.55s WALL ( 464183 calls) PWSCF : 0m49.43s CPU 1m20.88s WALL This run was terminated on: 17:12:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=