Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:52: 2 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: ./MoC.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 12 4 368 167 30 Max 21 13 6 372 182 33 Sum 745 451 151 13323 6303 1139 bravais-lattice index = 14 lattice parameter (alat) = 5.7204 a.u. unit-cell volume = 132.3647 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.720435 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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 Mo 14.00 95.94000 Mo( 1.00) C 4.00 12.01070 C( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 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) = ( -1 1 0 ) ( -1 0 0 ) ( -1 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) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -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 ) ( -1 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) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 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) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -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) = ( 0 1 0 ) ( 1 0 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) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 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= 483 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 2) = ( 0.0067568 -0.0039010 0.0055169), wk = 0.0020704 k( 3) = ( 0.0135135 -0.0078020 0.0110337), wk = 0.0020704 k( 4) = ( 0.0202703 -0.0117030 0.0165506), wk = 0.0020704 k( 5) = ( 0.0270270 -0.0156041 0.0220675), wk = 0.0020704 k( 6) = ( 0.0337838 -0.0195051 0.0275843), wk = 0.0020704 k( 7) = ( 0.0405405 -0.0234061 0.0331012), wk = 0.0020704 k( 8) = ( 0.0472973 -0.0273071 0.0386181), wk = 0.0020704 k( 9) = ( 0.0540540 -0.0312081 0.0441349), wk = 0.0020704 k( 10) = ( 0.0608108 -0.0351091 0.0496518), wk = 0.0020704 k( 11) = ( 0.0675676 -0.0390102 0.0551687), wk = 0.0020704 k( 12) = ( 0.0743243 -0.0429112 0.0606856), wk = 0.0020704 k( 13) = ( 0.0810811 -0.0468122 0.0662024), wk = 0.0020704 k( 14) = ( 0.0878378 -0.0507132 0.0717193), wk = 0.0020704 k( 15) = ( 0.0945946 -0.0546142 0.0772362), wk = 0.0020704 k( 16) = ( 0.1013514 -0.0585152 0.0827530), wk = 0.0020704 k( 17) = ( 0.1081081 -0.0624162 0.0882699), wk = 0.0020704 k( 18) = ( 0.1148649 -0.0663173 0.0937868), wk = 0.0020704 k( 19) = ( 0.1216216 -0.0702183 0.0993036), wk = 0.0020704 k( 20) = ( 0.1283784 -0.0741193 0.1048205), wk = 0.0020704 k( 21) = ( 0.1351351 -0.0780203 0.1103374), wk = 0.0020704 k( 22) = ( 0.1418919 -0.0819213 0.1158542), wk = 0.0020704 k( 23) = ( 0.1486486 -0.0858223 0.1213711), wk = 0.0020704 k( 24) = ( 0.1554054 -0.0897234 0.1268880), wk = 0.0020704 k( 25) = ( 0.1621622 -0.0936244 0.1324048), wk = 0.0020704 k( 26) = ( 0.1689189 -0.0975254 0.1379217), wk = 0.0020704 k( 27) = ( 0.1756757 -0.1014264 0.1434386), wk = 0.0020704 k( 28) = ( 0.1824324 -0.1053274 0.1489555), wk = 0.0020704 k( 29) = ( 0.1891892 -0.1092284 0.1544723), wk = 0.0020704 k( 30) = ( 0.1959460 -0.1131294 0.1599892), wk = 0.0020704 k( 31) = ( 0.2027027 -0.1170305 0.1655061), wk = 0.0020704 k( 32) = ( 0.2094595 -0.1209315 0.1710229), wk = 0.0020704 k( 33) = ( 0.2162162 -0.1248325 0.1765398), wk = 0.0020704 k( 34) = ( 0.2229730 -0.1287335 0.1820567), wk = 0.0020704 k( 35) = ( 0.2297297 -0.1326345 0.1875735), wk = 0.0020704 k( 36) = ( 0.2364865 -0.1365355 0.1930904), wk = 0.0020704 k( 37) = ( 0.2432432 -0.1404366 0.1986073), wk = 0.0020704 k( 38) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0020704 k( 39) = ( 0.2567568 -0.1482386 0.2096410), wk = 0.0020704 k( 40) = ( 0.2635135 -0.1521396 0.2151579), wk = 0.0020704 k( 41) = ( 0.2702703 -0.1560406 0.2206748), wk = 0.0020704 k( 42) = ( 0.2770270 -0.1599416 0.2261916), wk = 0.0020704 k( 43) = ( 0.2837838 -0.1638426 0.2317085), wk = 0.0020704 k( 44) = ( 0.2905405 -0.1677437 0.2372254), wk = 0.0020704 k( 45) = ( 0.2972973 -0.1716447 0.2427422), wk = 0.0020704 k( 46) = ( 0.3040541 -0.1755457 0.2482591), wk = 0.0020704 k( 47) = ( 0.3108108 -0.1794467 0.2537760), wk = 0.0020704 k( 48) = ( 0.3175676 -0.1833477 0.2592928), wk = 0.0020704 k( 49) = ( 0.3243243 -0.1872487 0.2648097), wk = 0.0020704 k( 50) = ( 0.3310811 -0.1911498 0.2703266), wk = 0.0020704 k( 51) = ( 0.3378378 -0.1950508 0.2758434), wk = 0.0020704 k( 52) = ( 0.3445946 -0.1989518 0.2813603), wk = 0.0020704 k( 53) = ( 0.3513514 -0.2028528 0.2868772), wk = 0.0020704 k( 54) = ( 0.3581081 -0.2067538 0.2923940), wk = 0.0020704 k( 55) = ( 0.3648649 -0.2106548 0.2979109), wk = 0.0020704 k( 56) = ( 0.3716216 -0.2145558 0.3034278), wk = 0.0020704 k( 57) = ( 0.3783784 -0.2184569 0.3089447), wk = 0.0020704 k( 58) = ( 0.3851351 -0.2223579 0.3144615), wk = 0.0020704 k( 59) = ( 0.3918919 -0.2262589 0.3199784), wk = 0.0020704 k( 60) = ( 0.3986486 -0.2301599 0.3254953), wk = 0.0020704 k( 61) = ( 0.4054054 -0.2340609 0.3310121), wk = 0.0020704 k( 62) = ( 0.4121622 -0.2379619 0.3365290), wk = 0.0020704 k( 63) = ( 0.4189189 -0.2418630 0.3420459), wk = 0.0020704 k( 64) = ( 0.4256757 -0.2457640 0.3475627), wk = 0.0020704 k( 65) = ( 0.4324324 -0.2496650 0.3530796), wk = 0.0020704 k( 66) = ( 0.4391892 -0.2535660 0.3585965), wk = 0.0020704 k( 67) = ( 0.4459459 -0.2574670 0.3641133), wk = 0.0020704 k( 68) = ( 0.4527027 -0.2613680 0.3696302), wk = 0.0020704 k( 69) = ( 0.4594595 -0.2652690 0.3751471), wk = 0.0020704 k( 70) = ( 0.4662162 -0.2691701 0.3806639), wk = 0.0020704 k( 71) = ( 0.4729730 -0.2730711 0.3861808), wk = 0.0020704 k( 72) = ( 0.4797297 -0.2769721 0.3916977), wk = 0.0020704 k( 73) = ( 0.4864865 -0.2808731 0.3972146), wk = 0.0020704 k( 74) = ( 0.4932432 -0.2847741 0.4027314), wk = 0.0020704 k( 75) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020704 k( 76) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020704 k( 77) = ( 0.5000000 -0.2808731 0.4137652), wk = 0.0020704 k( 78) = ( 0.5000000 -0.2730711 0.4192820), wk = 0.0020704 k( 79) = ( 0.5000000 -0.2652690 0.4247989), wk = 0.0020704 k( 80) = ( 0.5000000 -0.2574670 0.4303158), wk = 0.0020704 k( 81) = ( 0.5000000 -0.2496650 0.4358326), wk = 0.0020704 k( 82) = ( 0.5000000 -0.2418630 0.4413495), wk = 0.0020704 k( 83) = ( 0.5000000 -0.2340609 0.4468664), wk = 0.0020704 k( 84) = ( 0.5000000 -0.2262589 0.4523832), wk = 0.0020704 k( 85) = ( 0.5000000 -0.2184569 0.4579001), wk = 0.0020704 k( 86) = ( 0.5000000 -0.2106548 0.4634170), wk = 0.0020704 k( 87) = ( 0.5000000 -0.2028528 0.4689338), wk = 0.0020704 k( 88) = ( 0.5000000 -0.1950508 0.4744507), wk = 0.0020704 k( 89) = ( 0.5000000 -0.1872487 0.4799676), wk = 0.0020704 k( 90) = ( 0.5000000 -0.1794467 0.4854844), wk = 0.0020704 k( 91) = ( 0.5000000 -0.1716447 0.4910013), wk = 0.0020704 k( 92) = ( 0.5000000 -0.1638426 0.4965182), wk = 0.0020704 k( 93) = ( 0.5000000 -0.1560406 0.5020351), wk = 0.0020704 k( 94) = ( 0.5000000 -0.1482386 0.5075519), wk = 0.0020704 k( 95) = ( 0.5000000 -0.1404366 0.5130688), wk = 0.0020704 k( 96) = ( 0.5000000 -0.1326345 0.5185857), wk = 0.0020704 k( 97) = ( 0.5000000 -0.1248325 0.5241025), wk = 0.0020704 k( 98) = ( 0.5000000 -0.1170305 0.5296194), wk = 0.0020704 k( 99) = ( 0.5000000 -0.1092284 0.5351363), wk = 0.0020704 k( 100) = ( 0.5000000 -0.1014264 0.5406531), wk = 0.0020704 k( 101) = ( 0.5000000 -0.0936244 0.5461700), wk = 0.0020704 k( 102) = ( 0.5000000 -0.0858223 0.5516869), wk = 0.0020704 k( 103) = ( 0.5000000 -0.0780203 0.5572037), wk = 0.0020704 k( 104) = ( 0.5000000 -0.0702183 0.5627206), wk = 0.0020704 k( 105) = ( 0.5000000 -0.0624162 0.5682375), wk = 0.0020704 k( 106) = ( 0.5000000 -0.0546142 0.5737544), wk = 0.0020704 k( 107) = ( 0.5000000 -0.0468122 0.5792712), wk = 0.0020704 k( 108) = ( 0.5000000 -0.0390101 0.5847881), wk = 0.0020704 k( 109) = ( 0.5000000 -0.0312081 0.5903050), wk = 0.0020704 k( 110) = ( 0.5000000 -0.0234061 0.5958218), wk = 0.0020704 k( 111) = ( 0.5000000 -0.0156041 0.6013387), wk = 0.0020704 k( 112) = ( 0.5000000 -0.0078020 0.6068556), wk = 0.0020704 k( 113) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020704 k( 114) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020704 k( 115) = ( 0.4951923 0.0083272 0.6123724), wk = 0.0020704 k( 116) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0020704 k( 117) = ( 0.4855769 0.0249815 0.6123724), wk = 0.0020704 k( 118) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0020704 k( 119) = ( 0.4759615 0.0416358 0.6123724), wk = 0.0020704 k( 120) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0020704 k( 121) = ( 0.4663462 0.0582902 0.6123724), wk = 0.0020704 k( 122) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0020704 k( 123) = ( 0.4567308 0.0749445 0.6123724), wk = 0.0020704 k( 124) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0020704 k( 125) = ( 0.4471154 0.0915988 0.6123724), wk = 0.0020704 k( 126) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0020704 k( 127) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0020704 k( 128) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0020704 k( 129) = ( 0.4278846 0.1249075 0.6123724), wk = 0.0020704 k( 130) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0020704 k( 131) = ( 0.4182692 0.1415618 0.6123724), wk = 0.0020704 k( 132) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0020704 k( 133) = ( 0.4086538 0.1582162 0.6123724), wk = 0.0020704 k( 134) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0020704 k( 135) = ( 0.3990385 0.1748705 0.6123724), wk = 0.0020704 k( 136) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0020704 k( 137) = ( 0.3894231 0.1915248 0.6123724), wk = 0.0020704 k( 138) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0020704 k( 139) = ( 0.3798077 0.2081792 0.6123724), wk = 0.0020704 k( 140) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020704 k( 141) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020704 k( 142) = ( 0.3701923 0.2137306 0.6045215), wk = 0.0020704 k( 143) = ( 0.3653846 0.2109549 0.5966706), wk = 0.0020704 k( 144) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0020704 k( 145) = ( 0.3557692 0.2054035 0.5809687), wk = 0.0020704 k( 146) = ( 0.3509615 0.2026277 0.5731178), wk = 0.0020704 k( 147) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0020704 k( 148) = ( 0.3413462 0.1970763 0.5574159), wk = 0.0020704 k( 149) = ( 0.3365385 0.1943006 0.5495650), wk = 0.0020704 k( 150) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0020704 k( 151) = ( 0.3269231 0.1887491 0.5338631), wk = 0.0020704 k( 152) = ( 0.3221154 0.1859734 0.5260122), wk = 0.0020704 k( 153) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0020704 k( 154) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0020704 k( 155) = ( 0.3076923 0.1776462 0.5024594), wk = 0.0020704 k( 156) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0020704 k( 157) = ( 0.2980769 0.1720948 0.4867576), wk = 0.0020704 k( 158) = ( 0.2932692 0.1693191 0.4789066), wk = 0.0020704 k( 159) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0020704 k( 160) = ( 0.2836538 0.1637676 0.4632048), wk = 0.0020704 k( 161) = ( 0.2788462 0.1609919 0.4553539), wk = 0.0020704 k( 162) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0020704 k( 163) = ( 0.2692308 0.1554405 0.4396520), wk = 0.0020704 k( 164) = ( 0.2644231 0.1526647 0.4318011), wk = 0.0020704 k( 165) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0020704 k( 166) = ( 0.2548077 0.1471133 0.4160992), wk = 0.0020704 k( 167) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0020704 k( 168) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0020704 k( 169) = ( 0.2403846 0.1387861 0.3925464), wk = 0.0020704 k( 170) = ( 0.2355769 0.1360104 0.3846955), wk = 0.0020704 k( 171) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0020704 k( 172) = ( 0.2259615 0.1304590 0.3689936), wk = 0.0020704 k( 173) = ( 0.2211539 0.1276832 0.3611427), wk = 0.0020704 k( 174) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0020704 k( 175) = ( 0.2115385 0.1221318 0.3454409), wk = 0.0020704 k( 176) = ( 0.2067308 0.1193561 0.3375899), wk = 0.0020704 k( 177) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0020704 k( 178) = ( 0.1971154 0.1138046 0.3218881), wk = 0.0020704 k( 179) = ( 0.1923077 0.1110289 0.3140371), wk = 0.0020704 k( 180) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0020704 k( 181) = ( 0.1826923 0.1054775 0.2983353), wk = 0.0020704 k( 182) = ( 0.1778846 0.1027017 0.2904844), wk = 0.0020704 k( 183) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0020704 k( 184) = ( 0.1682692 0.0971503 0.2747825), wk = 0.0020704 k( 185) = ( 0.1634615 0.0943746 0.2669316), wk = 0.0020704 k( 186) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0020704 k( 187) = ( 0.1538461 0.0888231 0.2512297), wk = 0.0020704 k( 188) = ( 0.1490385 0.0860474 0.2433788), wk = 0.0020704 k( 189) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0020704 k( 190) = ( 0.1394231 0.0804960 0.2276769), wk = 0.0020704 k( 191) = ( 0.1346154 0.0777202 0.2198260), wk = 0.0020704 k( 192) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0020704 k( 193) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0020704 k( 194) = ( 0.1201923 0.0693931 0.1962732), wk = 0.0020704 k( 195) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0020704 k( 196) = ( 0.1105769 0.0638416 0.1805714), wk = 0.0020704 k( 197) = ( 0.1057692 0.0610659 0.1727204), wk = 0.0020704 k( 198) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0020704 k( 199) = ( 0.0961538 0.0555145 0.1570186), wk = 0.0020704 k( 200) = ( 0.0913462 0.0527387 0.1491677), wk = 0.0020704 k( 201) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0020704 k( 202) = ( 0.0817308 0.0471873 0.1334658), wk = 0.0020704 k( 203) = ( 0.0769231 0.0444116 0.1256149), wk = 0.0020704 k( 204) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0020704 k( 205) = ( 0.0673077 0.0388601 0.1099130), wk = 0.0020704 k( 206) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0020704 k( 207) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0020704 k( 208) = ( 0.0528846 0.0305329 0.0863602), wk = 0.0020704 k( 209) = ( 0.0480769 0.0277572 0.0785093), wk = 0.0020704 k( 210) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0020704 k( 211) = ( 0.0384615 0.0222058 0.0628074), wk = 0.0020704 k( 212) = ( 0.0336538 0.0194301 0.0549565), wk = 0.0020704 k( 213) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0020704 k( 214) = ( 0.0240385 0.0138786 0.0392546), wk = 0.0020704 k( 215) = ( 0.0192308 0.0111029 0.0314037), wk = 0.0020704 k( 216) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0020704 k( 217) = ( 0.0096154 0.0055514 0.0157019), wk = 0.0020704 k( 218) = ( 0.0048077 0.0027757 0.0078509), wk = 0.0020704 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 221) = ( 0.0078125 0.0045105 0.0031894), wk = 0.0020704 k( 222) = ( 0.0156250 0.0090211 0.0063789), wk = 0.0020704 k( 223) = ( 0.0234375 0.0135316 0.0095683), wk = 0.0020704 k( 224) = ( 0.0312500 0.0180422 0.0127578), wk = 0.0020704 k( 225) = ( 0.0390625 0.0225527 0.0159472), wk = 0.0020704 k( 226) = ( 0.0468750 0.0270633 0.0191366), wk = 0.0020704 k( 227) = ( 0.0546875 0.0315738 0.0223261), wk = 0.0020704 k( 228) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0020704 k( 229) = ( 0.0703125 0.0405949 0.0287050), wk = 0.0020704 k( 230) = ( 0.0781250 0.0451055 0.0318944), wk = 0.0020704 k( 231) = ( 0.0859375 0.0496160 0.0350838), wk = 0.0020704 k( 232) = ( 0.0937500 0.0541266 0.0382733), wk = 0.0020704 k( 233) = ( 0.1015625 0.0586371 0.0414627), wk = 0.0020704 k( 234) = ( 0.1093750 0.0631477 0.0446522), wk = 0.0020704 k( 235) = ( 0.1171875 0.0676582 0.0478416), wk = 0.0020704 k( 236) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0020704 k( 237) = ( 0.1328125 0.0766793 0.0542205), wk = 0.0020704 k( 238) = ( 0.1406250 0.0811899 0.0574099), wk = 0.0020704 k( 239) = ( 0.1484375 0.0857004 0.0605994), wk = 0.0020704 k( 240) = ( 0.1562500 0.0902110 0.0637888), wk = 0.0020704 k( 241) = ( 0.1640625 0.0947215 0.0669782), wk = 0.0020704 k( 242) = ( 0.1718750 0.0992321 0.0701677), wk = 0.0020704 k( 243) = ( 0.1796875 0.1037426 0.0733571), wk = 0.0020704 k( 244) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0020704 k( 245) = ( 0.1953125 0.1127637 0.0797360), wk = 0.0020704 k( 246) = ( 0.2031250 0.1172743 0.0829254), wk = 0.0020704 k( 247) = ( 0.2109375 0.1217848 0.0861149), wk = 0.0020704 k( 248) = ( 0.2187500 0.1262954 0.0893043), wk = 0.0020704 k( 249) = ( 0.2265625 0.1308059 0.0924938), wk = 0.0020704 k( 250) = ( 0.2343750 0.1353165 0.0956832), wk = 0.0020704 k( 251) = ( 0.2421875 0.1398270 0.0988726), wk = 0.0020704 k( 252) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0020704 k( 253) = ( 0.2578125 0.1488481 0.1052515), wk = 0.0020704 k( 254) = ( 0.2656250 0.1533587 0.1084410), wk = 0.0020704 k( 255) = ( 0.2734375 0.1578692 0.1116304), wk = 0.0020704 k( 256) = ( 0.2812500 0.1623798 0.1148198), wk = 0.0020704 k( 257) = ( 0.2890625 0.1668903 0.1180093), wk = 0.0020704 k( 258) = ( 0.2968750 0.1714009 0.1211987), wk = 0.0020704 k( 259) = ( 0.3046875 0.1759114 0.1243882), wk = 0.0020704 k( 260) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0020704 k( 261) = ( 0.3203125 0.1849325 0.1307670), wk = 0.0020704 k( 262) = ( 0.3281250 0.1894431 0.1339565), wk = 0.0020704 k( 263) = ( 0.3359375 0.1939536 0.1371459), wk = 0.0020704 k( 264) = ( 0.3437500 0.1984642 0.1403353), wk = 0.0020704 k( 265) = ( 0.3515625 0.2029747 0.1435248), wk = 0.0020704 k( 266) = ( 0.3593750 0.2074853 0.1467142), wk = 0.0020704 k( 267) = ( 0.3671875 0.2119958 0.1499037), wk = 0.0020704 k( 268) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0020704 k( 269) = ( 0.3828125 0.2210169 0.1562825), wk = 0.0020704 k( 270) = ( 0.3906250 0.2255274 0.1594720), wk = 0.0020704 k( 271) = ( 0.3984375 0.2300380 0.1626614), wk = 0.0020704 k( 272) = ( 0.4062500 0.2345485 0.1658509), wk = 0.0020704 k( 273) = ( 0.4140625 0.2390591 0.1690403), wk = 0.0020704 k( 274) = ( 0.4218750 0.2435696 0.1722297), wk = 0.0020704 k( 275) = ( 0.4296875 0.2480802 0.1754192), wk = 0.0020704 k( 276) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0020704 k( 277) = ( 0.4453125 0.2571013 0.1817981), wk = 0.0020704 k( 278) = ( 0.4531250 0.2616118 0.1849875), wk = 0.0020704 k( 279) = ( 0.4609375 0.2661224 0.1881769), wk = 0.0020704 k( 280) = ( 0.4687500 0.2706329 0.1913664), wk = 0.0020704 k( 281) = ( 0.4765625 0.2751435 0.1945558), wk = 0.0020704 k( 282) = ( 0.4843750 0.2796540 0.1977453), wk = 0.0020704 k( 283) = ( 0.4921875 0.2841646 0.2009347), wk = 0.0020704 k( 284) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020704 k( 285) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020704 k( 286) = ( 0.5027778 0.2806564 0.2086602), wk = 0.0020704 k( 287) = ( 0.5055556 0.2726376 0.2131963), wk = 0.0020704 k( 288) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0020704 k( 289) = ( 0.5111111 0.2566001 0.2222685), wk = 0.0020704 k( 290) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0020704 k( 291) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0020704 k( 292) = ( 0.5194444 0.2325439 0.2358768), wk = 0.0020704 k( 293) = ( 0.5222222 0.2245251 0.2404129), wk = 0.0020704 k( 294) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0020704 k( 295) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0020704 k( 296) = ( 0.5305556 0.2004688 0.2540212), wk = 0.0020704 k( 297) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0020704 k( 298) = ( 0.5361111 0.1844313 0.2630933), wk = 0.0020704 k( 299) = ( 0.5388889 0.1764126 0.2676294), wk = 0.0020704 k( 300) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0020704 k( 301) = ( 0.5444444 0.1603751 0.2767016), wk = 0.0020704 k( 302) = ( 0.5472222 0.1523563 0.2812377), wk = 0.0020704 k( 303) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0020704 k( 304) = ( 0.5527778 0.1363188 0.2903099), wk = 0.0020704 k( 305) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0020704 k( 306) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0020704 k( 307) = ( 0.5611111 0.1122626 0.3039182), wk = 0.0020704 k( 308) = ( 0.5638889 0.1042438 0.3084543), wk = 0.0020704 k( 309) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0020704 k( 310) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0020704 k( 311) = ( 0.5722222 0.0801875 0.3220625), wk = 0.0020704 k( 312) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0020704 k( 313) = ( 0.5777778 0.0641500 0.3311347), wk = 0.0020704 k( 314) = ( 0.5805556 0.0561313 0.3356708), wk = 0.0020704 k( 315) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0020704 k( 316) = ( 0.5861111 0.0400938 0.3447430), wk = 0.0020704 k( 317) = ( 0.5888889 0.0320750 0.3492791), wk = 0.0020704 k( 318) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0020704 k( 319) = ( 0.5944444 0.0160375 0.3583513), wk = 0.0020704 k( 320) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0020704 k( 321) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0020704 k( 322) = ( 0.6027778 -0.0080188 0.3719596), wk = 0.0020704 k( 323) = ( 0.6055556 -0.0160375 0.3764956), wk = 0.0020704 k( 324) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0020704 k( 325) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0020704 k( 326) = ( 0.6138889 -0.0400938 0.3901039), wk = 0.0020704 k( 327) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0020704 k( 328) = ( 0.6194444 -0.0561313 0.3991761), wk = 0.0020704 k( 329) = ( 0.6222222 -0.0641500 0.4037122), wk = 0.0020704 k( 330) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020704 k( 331) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020704 k( 332) = ( 0.6201923 -0.0693931 0.4160992), wk = 0.0020704 k( 333) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0020704 k( 334) = ( 0.6105769 -0.0638416 0.4318011), wk = 0.0020704 k( 335) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0020704 k( 336) = ( 0.6009615 -0.0582902 0.4475029), wk = 0.0020704 k( 337) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0020704 k( 338) = ( 0.5913462 -0.0527387 0.4632048), wk = 0.0020704 k( 339) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0020704 k( 340) = ( 0.5817308 -0.0471873 0.4789066), wk = 0.0020704 k( 341) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0020704 k( 342) = ( 0.5721154 -0.0416358 0.4946085), wk = 0.0020704 k( 343) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0020704 k( 344) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0020704 k( 345) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0020704 k( 346) = ( 0.5528846 -0.0305329 0.5260122), wk = 0.0020704 k( 347) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0020704 k( 348) = ( 0.5432692 -0.0249815 0.5417141), wk = 0.0020704 k( 349) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0020704 k( 350) = ( 0.5336538 -0.0194301 0.5574159), wk = 0.0020704 k( 351) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0020704 k( 352) = ( 0.5240385 -0.0138786 0.5731178), wk = 0.0020704 k( 353) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0020704 k( 354) = ( 0.5144231 -0.0083272 0.5888196), wk = 0.0020704 k( 355) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0020704 k( 356) = ( 0.5048077 -0.0027757 0.6045215), wk = 0.0020704 k( 357) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020704 k( 358) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020704 k( 359) = ( 0.5000000 0.0055514 0.6045215), wk = 0.0020704 k( 360) = ( 0.5000000 0.0111029 0.5966706), wk = 0.0020704 k( 361) = ( 0.5000000 0.0166543 0.5888196), wk = 0.0020704 k( 362) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0020704 k( 363) = ( 0.5000000 0.0277572 0.5731178), wk = 0.0020704 k( 364) = ( 0.5000000 0.0333087 0.5652669), wk = 0.0020704 k( 365) = ( 0.5000000 0.0388601 0.5574159), wk = 0.0020704 k( 366) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0020704 k( 367) = ( 0.5000000 0.0499630 0.5417141), wk = 0.0020704 k( 368) = ( 0.5000000 0.0555144 0.5338632), wk = 0.0020704 k( 369) = ( 0.5000000 0.0610659 0.5260122), wk = 0.0020704 k( 370) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0020704 k( 371) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0020704 k( 372) = ( 0.5000000 0.0777202 0.5024594), wk = 0.0020704 k( 373) = ( 0.5000000 0.0832717 0.4946085), wk = 0.0020704 k( 374) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0020704 k( 375) = ( 0.5000000 0.0943746 0.4789066), wk = 0.0020704 k( 376) = ( 0.5000000 0.0999260 0.4710557), wk = 0.0020704 k( 377) = ( 0.5000000 0.1054774 0.4632048), wk = 0.0020704 k( 378) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0020704 k( 379) = ( 0.5000000 0.1165803 0.4475029), wk = 0.0020704 k( 380) = ( 0.5000000 0.1221318 0.4396520), wk = 0.0020704 k( 381) = ( 0.5000000 0.1276832 0.4318011), wk = 0.0020704 k( 382) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0020704 k( 383) = ( 0.5000000 0.1387861 0.4160992), wk = 0.0020704 k( 384) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0020704 k( 385) = ( 0.5000000 0.1498890 0.4003974), wk = 0.0020704 k( 386) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0020704 k( 387) = ( 0.5000000 0.1609919 0.3846955), wk = 0.0020704 k( 388) = ( 0.5000000 0.1665433 0.3768446), wk = 0.0020704 k( 389) = ( 0.5000000 0.1720948 0.3689936), wk = 0.0020704 k( 390) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0020704 k( 391) = ( 0.5000000 0.1831977 0.3532918), wk = 0.0020704 k( 392) = ( 0.5000000 0.1887491 0.3454409), wk = 0.0020704 k( 393) = ( 0.5000000 0.1943006 0.3375899), wk = 0.0020704 k( 394) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0020704 k( 395) = ( 0.5000000 0.2054035 0.3218881), wk = 0.0020704 k( 396) = ( 0.5000000 0.2109549 0.3140371), wk = 0.0020704 k( 397) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0020704 k( 398) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0020704 k( 399) = ( 0.5000000 0.2276092 0.2904844), wk = 0.0020704 k( 400) = ( 0.5000000 0.2331607 0.2826334), wk = 0.0020704 k( 401) = ( 0.5000000 0.2387121 0.2747825), wk = 0.0020704 k( 402) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0020704 k( 403) = ( 0.5000000 0.2498150 0.2590807), wk = 0.0020704 k( 404) = ( 0.5000000 0.2553665 0.2512297), wk = 0.0020704 k( 405) = ( 0.5000000 0.2609179 0.2433788), wk = 0.0020704 k( 406) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0020704 k( 407) = ( 0.5000000 0.2720208 0.2276769), wk = 0.0020704 k( 408) = ( 0.5000000 0.2775723 0.2198260), wk = 0.0020704 k( 409) = ( 0.5000000 0.2831237 0.2119751), wk = 0.0020704 k( 410) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020704 k( 411) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020704 k( 412) = ( 0.4972222 0.2870714 0.2131963), wk = 0.0020704 k( 413) = ( 0.4944444 0.2854676 0.2222685), wk = 0.0020704 k( 414) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0020704 k( 415) = ( 0.4888889 0.2822601 0.2404129), wk = 0.0020704 k( 416) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0020704 k( 417) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0020704 k( 418) = ( 0.4805556 0.2774489 0.2676294), wk = 0.0020704 k( 419) = ( 0.4777778 0.2758451 0.2767016), wk = 0.0020704 k( 420) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0020704 k( 421) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0020704 k( 422) = ( 0.4694444 0.2710339 0.3039182), wk = 0.0020704 k( 423) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0020704 k( 424) = ( 0.4638889 0.2678264 0.3220625), wk = 0.0020704 k( 425) = ( 0.4611111 0.2662226 0.3311347), wk = 0.0020704 k( 426) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0020704 k( 427) = ( 0.4555556 0.2630151 0.3492791), wk = 0.0020704 k( 428) = ( 0.4527778 0.2614114 0.3583513), wk = 0.0020704 k( 429) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0020704 k( 430) = ( 0.4472222 0.2582039 0.3764957), wk = 0.0020704 k( 431) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0020704 k( 432) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0020704 k( 433) = ( 0.4388889 0.2533926 0.4037122), wk = 0.0020704 k( 434) = ( 0.4361111 0.2517889 0.4127844), wk = 0.0020704 k( 435) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0020704 k( 436) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0020704 k( 437) = ( 0.4277778 0.2469776 0.4400009), wk = 0.0020704 k( 438) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0020704 k( 439) = ( 0.4222222 0.2437701 0.4581453), wk = 0.0020704 k( 440) = ( 0.4194444 0.2421664 0.4672175), wk = 0.0020704 k( 441) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0020704 k( 442) = ( 0.4138889 0.2389589 0.4853619), wk = 0.0020704 k( 443) = ( 0.4111111 0.2373551 0.4944340), wk = 0.0020704 k( 444) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0020704 k( 445) = ( 0.4055556 0.2341476 0.5125784), wk = 0.0020704 k( 446) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0020704 k( 447) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0020704 k( 448) = ( 0.3972222 0.2293364 0.5397950), wk = 0.0020704 k( 449) = ( 0.3944444 0.2277326 0.5488671), wk = 0.0020704 k( 450) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0020704 k( 451) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0020704 k( 452) = ( 0.3861111 0.2229214 0.5760837), wk = 0.0020704 k( 453) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0020704 k( 454) = ( 0.3805556 0.2197139 0.5942281), wk = 0.0020704 k( 455) = ( 0.3777778 0.2181101 0.6033002), wk = 0.0020704 k( 456) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020704 k( 457) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020704 k( 458) = ( 0.6201923 -0.0804959 0.4082483), wk = 0.0020704 k( 459) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0020704 k( 460) = ( 0.6105769 -0.0971503 0.4082483), wk = 0.0020704 k( 461) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0020704 k( 462) = ( 0.6009615 -0.1138046 0.4082483), wk = 0.0020704 k( 463) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0020704 k( 464) = ( 0.5913462 -0.1304590 0.4082483), wk = 0.0020704 k( 465) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0020704 k( 466) = ( 0.5817308 -0.1471133 0.4082483), wk = 0.0020704 k( 467) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0020704 k( 468) = ( 0.5721154 -0.1637676 0.4082483), wk = 0.0020704 k( 469) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0020704 k( 470) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0020704 k( 471) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0020704 k( 472) = ( 0.5528846 -0.1970763 0.4082483), wk = 0.0020704 k( 473) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0020704 k( 474) = ( 0.5432692 -0.2137306 0.4082483), wk = 0.0020704 k( 475) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0020704 k( 476) = ( 0.5336538 -0.2303850 0.4082483), wk = 0.0020704 k( 477) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0020704 k( 478) = ( 0.5240385 -0.2470393 0.4082483), wk = 0.0020704 k( 479) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0020704 k( 480) = ( 0.5144231 -0.2636936 0.4082483), wk = 0.0020704 k( 481) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0020704 k( 482) = ( 0.5048077 -0.2803480 0.4082483), wk = 0.0020704 k( 483) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020704 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 2) = ( 0.0067568 0.0000000 0.0067568), wk = 0.0020704 k( 3) = ( 0.0135135 0.0000000 0.0135135), wk = 0.0020704 k( 4) = ( 0.0202703 0.0000000 0.0202703), wk = 0.0020704 k( 5) = ( 0.0270270 0.0000000 0.0270270), wk = 0.0020704 k( 6) = ( 0.0337838 0.0000000 0.0337838), wk = 0.0020704 k( 7) = ( 0.0405405 0.0000000 0.0405405), wk = 0.0020704 k( 8) = ( 0.0472973 0.0000000 0.0472973), wk = 0.0020704 k( 9) = ( 0.0540540 0.0000000 0.0540540), wk = 0.0020704 k( 10) = ( 0.0608108 0.0000000 0.0608108), wk = 0.0020704 k( 11) = ( 0.0675676 0.0000000 0.0675676), wk = 0.0020704 k( 12) = ( 0.0743243 0.0000000 0.0743243), wk = 0.0020704 k( 13) = ( 0.0810811 0.0000000 0.0810811), wk = 0.0020704 k( 14) = ( 0.0878378 0.0000000 0.0878378), wk = 0.0020704 k( 15) = ( 0.0945946 0.0000000 0.0945946), wk = 0.0020704 k( 16) = ( 0.1013514 0.0000000 0.1013514), wk = 0.0020704 k( 17) = ( 0.1081081 0.0000000 0.1081081), wk = 0.0020704 k( 18) = ( 0.1148649 0.0000000 0.1148649), wk = 0.0020704 k( 19) = ( 0.1216216 0.0000000 0.1216216), wk = 0.0020704 k( 20) = ( 0.1283784 0.0000000 0.1283784), wk = 0.0020704 k( 21) = ( 0.1351351 0.0000000 0.1351351), wk = 0.0020704 k( 22) = ( 0.1418919 0.0000000 0.1418919), wk = 0.0020704 k( 23) = ( 0.1486486 0.0000000 0.1486486), wk = 0.0020704 k( 24) = ( 0.1554054 0.0000000 0.1554054), wk = 0.0020704 k( 25) = ( 0.1621622 0.0000000 0.1621622), wk = 0.0020704 k( 26) = ( 0.1689189 0.0000000 0.1689189), wk = 0.0020704 k( 27) = ( 0.1756757 0.0000000 0.1756757), wk = 0.0020704 k( 28) = ( 0.1824324 0.0000000 0.1824324), wk = 0.0020704 k( 29) = ( 0.1891892 0.0000000 0.1891892), wk = 0.0020704 k( 30) = ( 0.1959460 0.0000000 0.1959459), wk = 0.0020704 k( 31) = ( 0.2027027 0.0000000 0.2027027), wk = 0.0020704 k( 32) = ( 0.2094595 0.0000000 0.2094595), wk = 0.0020704 k( 33) = ( 0.2162162 0.0000000 0.2162162), wk = 0.0020704 k( 34) = ( 0.2229730 0.0000000 0.2229730), wk = 0.0020704 k( 35) = ( 0.2297297 0.0000000 0.2297297), wk = 0.0020704 k( 36) = ( 0.2364865 -0.0000000 0.2364865), wk = 0.0020704 k( 37) = ( 0.2432432 0.0000000 0.2432432), wk = 0.0020704 k( 38) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0020704 k( 39) = ( 0.2567568 0.0000000 0.2567568), wk = 0.0020704 k( 40) = ( 0.2635135 0.0000000 0.2635135), wk = 0.0020704 k( 41) = ( 0.2702703 0.0000000 0.2702703), wk = 0.0020704 k( 42) = ( 0.2770270 0.0000000 0.2770270), wk = 0.0020704 k( 43) = ( 0.2837838 0.0000000 0.2837838), wk = 0.0020704 k( 44) = ( 0.2905405 0.0000000 0.2905405), wk = 0.0020704 k( 45) = ( 0.2972973 0.0000000 0.2972973), wk = 0.0020704 k( 46) = ( 0.3040541 0.0000000 0.3040541), wk = 0.0020704 k( 47) = ( 0.3108108 0.0000000 0.3108108), wk = 0.0020704 k( 48) = ( 0.3175676 0.0000000 0.3175676), wk = 0.0020704 k( 49) = ( 0.3243243 0.0000000 0.3243243), wk = 0.0020704 k( 50) = ( 0.3310811 0.0000000 0.3310811), wk = 0.0020704 k( 51) = ( 0.3378378 0.0000000 0.3378378), wk = 0.0020704 k( 52) = ( 0.3445946 0.0000000 0.3445946), wk = 0.0020704 k( 53) = ( 0.3513514 0.0000000 0.3513513), wk = 0.0020704 k( 54) = ( 0.3581081 0.0000000 0.3581081), wk = 0.0020704 k( 55) = ( 0.3648649 0.0000000 0.3648649), wk = 0.0020704 k( 56) = ( 0.3716216 0.0000000 0.3716216), wk = 0.0020704 k( 57) = ( 0.3783784 0.0000000 0.3783784), wk = 0.0020704 k( 58) = ( 0.3851351 0.0000000 0.3851351), wk = 0.0020704 k( 59) = ( 0.3918919 -0.0000000 0.3918919), wk = 0.0020704 k( 60) = ( 0.3986486 0.0000000 0.3986486), wk = 0.0020704 k( 61) = ( 0.4054054 0.0000000 0.4054054), wk = 0.0020704 k( 62) = ( 0.4121622 0.0000000 0.4121622), wk = 0.0020704 k( 63) = ( 0.4189189 0.0000000 0.4189189), wk = 0.0020704 k( 64) = ( 0.4256757 0.0000000 0.4256757), wk = 0.0020704 k( 65) = ( 0.4324324 0.0000000 0.4324324), wk = 0.0020704 k( 66) = ( 0.4391892 -0.0000000 0.4391892), wk = 0.0020704 k( 67) = ( 0.4459459 0.0000000 0.4459459), wk = 0.0020704 k( 68) = ( 0.4527027 0.0000000 0.4527027), wk = 0.0020704 k( 69) = ( 0.4594595 0.0000000 0.4594595), wk = 0.0020704 k( 70) = ( 0.4662162 0.0000000 0.4662162), wk = 0.0020704 k( 71) = ( 0.4729730 0.0000000 0.4729730), wk = 0.0020704 k( 72) = ( 0.4797297 -0.0000000 0.4797297), wk = 0.0020704 k( 73) = ( 0.4864865 0.0000000 0.4864865), wk = 0.0020704 k( 74) = ( 0.4932432 0.0000000 0.4932432), wk = 0.0020704 k( 75) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020704 k( 76) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020704 k( 77) = ( 0.5000000 0.0067568 0.5067568), wk = 0.0020704 k( 78) = ( 0.5000000 0.0135135 0.5135135), wk = 0.0020704 k( 79) = ( 0.5000000 0.0202703 0.5202703), wk = 0.0020704 k( 80) = ( 0.5000000 0.0270270 0.5270270), wk = 0.0020704 k( 81) = ( 0.5000000 0.0337838 0.5337838), wk = 0.0020704 k( 82) = ( 0.5000000 0.0405405 0.5405405), wk = 0.0020704 k( 83) = ( 0.5000000 0.0472973 0.5472973), wk = 0.0020704 k( 84) = ( 0.5000000 0.0540540 0.5540540), wk = 0.0020704 k( 85) = ( 0.5000000 0.0608108 0.5608108), wk = 0.0020704 k( 86) = ( 0.5000000 0.0675676 0.5675676), wk = 0.0020704 k( 87) = ( 0.5000000 0.0743243 0.5743243), wk = 0.0020704 k( 88) = ( 0.5000000 0.0810811 0.5810811), wk = 0.0020704 k( 89) = ( 0.5000000 0.0878378 0.5878378), wk = 0.0020704 k( 90) = ( 0.5000000 0.0945946 0.5945946), wk = 0.0020704 k( 91) = ( 0.5000000 0.1013514 0.6013513), wk = 0.0020704 k( 92) = ( 0.5000000 0.1081081 0.6081081), wk = 0.0020704 k( 93) = ( 0.5000000 0.1148649 0.6148649), wk = 0.0020704 k( 94) = ( 0.5000000 0.1216216 0.6216216), wk = 0.0020704 k( 95) = ( 0.5000000 0.1283784 0.6283784), wk = 0.0020704 k( 96) = ( 0.5000000 0.1351351 0.6351351), wk = 0.0020704 k( 97) = ( 0.5000000 0.1418919 0.6418919), wk = 0.0020704 k( 98) = ( 0.5000000 0.1486486 0.6486487), wk = 0.0020704 k( 99) = ( 0.5000000 0.1554054 0.6554054), wk = 0.0020704 k( 100) = ( 0.5000000 0.1621622 0.6621622), wk = 0.0020704 k( 101) = ( 0.5000000 0.1689189 0.6689189), wk = 0.0020704 k( 102) = ( 0.5000000 0.1756757 0.6756757), wk = 0.0020704 k( 103) = ( 0.5000000 0.1824324 0.6824324), wk = 0.0020704 k( 104) = ( 0.5000000 0.1891892 0.6891892), wk = 0.0020704 k( 105) = ( 0.5000000 0.1959460 0.6959460), wk = 0.0020704 k( 106) = ( 0.5000000 0.2027027 0.7027027), wk = 0.0020704 k( 107) = ( 0.5000000 0.2094595 0.7094595), wk = 0.0020704 k( 108) = ( 0.5000000 0.2162162 0.7162162), wk = 0.0020704 k( 109) = ( 0.5000000 0.2229730 0.7229730), wk = 0.0020704 k( 110) = ( 0.5000000 0.2297297 0.7297297), wk = 0.0020704 k( 111) = ( 0.5000000 0.2364865 0.7364865), wk = 0.0020704 k( 112) = ( 0.5000000 0.2432432 0.7432432), wk = 0.0020704 k( 113) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020704 k( 114) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020704 k( 115) = ( 0.4951923 0.2548077 0.7500000), wk = 0.0020704 k( 116) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0020704 k( 117) = ( 0.4855769 0.2644231 0.7500000), wk = 0.0020704 k( 118) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0020704 k( 119) = ( 0.4759615 0.2740385 0.7500000), wk = 0.0020704 k( 120) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0020704 k( 121) = ( 0.4663462 0.2836538 0.7500000), wk = 0.0020704 k( 122) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0020704 k( 123) = ( 0.4567308 0.2932692 0.7500000), wk = 0.0020704 k( 124) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0020704 k( 125) = ( 0.4471154 0.3028846 0.7500000), wk = 0.0020704 k( 126) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0020704 k( 127) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0020704 k( 128) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0020704 k( 129) = ( 0.4278846 0.3221154 0.7500000), wk = 0.0020704 k( 130) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0020704 k( 131) = ( 0.4182692 0.3317308 0.7500000), wk = 0.0020704 k( 132) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0020704 k( 133) = ( 0.4086538 0.3413462 0.7500000), wk = 0.0020704 k( 134) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0020704 k( 135) = ( 0.3990385 0.3509615 0.7500000), wk = 0.0020704 k( 136) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0020704 k( 137) = ( 0.3894231 0.3605769 0.7500000), wk = 0.0020704 k( 138) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0020704 k( 139) = ( 0.3798077 0.3701923 0.7500000), wk = 0.0020704 k( 140) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020704 k( 141) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020704 k( 142) = ( 0.3701923 0.3701923 0.7403846), wk = 0.0020704 k( 143) = ( 0.3653846 0.3653846 0.7307692), wk = 0.0020704 k( 144) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0020704 k( 145) = ( 0.3557692 0.3557692 0.7115385), wk = 0.0020704 k( 146) = ( 0.3509615 0.3509615 0.7019231), wk = 0.0020704 k( 147) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0020704 k( 148) = ( 0.3413462 0.3413462 0.6826923), wk = 0.0020704 k( 149) = ( 0.3365385 0.3365385 0.6730769), wk = 0.0020704 k( 150) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0020704 k( 151) = ( 0.3269231 0.3269231 0.6538462), wk = 0.0020704 k( 152) = ( 0.3221154 0.3221154 0.6442308), wk = 0.0020704 k( 153) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0020704 k( 154) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0020704 k( 155) = ( 0.3076923 0.3076923 0.6153846), wk = 0.0020704 k( 156) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0020704 k( 157) = ( 0.2980769 0.2980769 0.5961538), wk = 0.0020704 k( 158) = ( 0.2932692 0.2932692 0.5865385), wk = 0.0020704 k( 159) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0020704 k( 160) = ( 0.2836538 0.2836538 0.5673077), wk = 0.0020704 k( 161) = ( 0.2788462 0.2788462 0.5576923), wk = 0.0020704 k( 162) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0020704 k( 163) = ( 0.2692308 0.2692308 0.5384615), wk = 0.0020704 k( 164) = ( 0.2644231 0.2644231 0.5288462), wk = 0.0020704 k( 165) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0020704 k( 166) = ( 0.2548077 0.2548077 0.5096154), wk = 0.0020704 k( 167) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020704 k( 168) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0020704 k( 169) = ( 0.2403846 0.2403846 0.4807692), wk = 0.0020704 k( 170) = ( 0.2355769 0.2355769 0.4711538), wk = 0.0020704 k( 171) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0020704 k( 172) = ( 0.2259615 0.2259615 0.4519231), wk = 0.0020704 k( 173) = ( 0.2211539 0.2211538 0.4423077), wk = 0.0020704 k( 174) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0020704 k( 175) = ( 0.2115385 0.2115385 0.4230769), wk = 0.0020704 k( 176) = ( 0.2067308 0.2067308 0.4134615), wk = 0.0020704 k( 177) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0020704 k( 178) = ( 0.1971154 0.1971154 0.3942308), wk = 0.0020704 k( 179) = ( 0.1923077 0.1923077 0.3846154), wk = 0.0020704 k( 180) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0020704 k( 181) = ( 0.1826923 0.1826923 0.3653846), wk = 0.0020704 k( 182) = ( 0.1778846 0.1778846 0.3557692), wk = 0.0020704 k( 183) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0020704 k( 184) = ( 0.1682692 0.1682692 0.3365385), wk = 0.0020704 k( 185) = ( 0.1634615 0.1634615 0.3269231), wk = 0.0020704 k( 186) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0020704 k( 187) = ( 0.1538461 0.1538461 0.3076923), wk = 0.0020704 k( 188) = ( 0.1490385 0.1490385 0.2980769), wk = 0.0020704 k( 189) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0020704 k( 190) = ( 0.1394231 0.1394231 0.2788462), wk = 0.0020704 k( 191) = ( 0.1346154 0.1346154 0.2692308), wk = 0.0020704 k( 192) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0020704 k( 193) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0020704 k( 194) = ( 0.1201923 0.1201923 0.2403846), wk = 0.0020704 k( 195) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0020704 k( 196) = ( 0.1105769 0.1105769 0.2211539), wk = 0.0020704 k( 197) = ( 0.1057692 0.1057692 0.2115385), wk = 0.0020704 k( 198) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0020704 k( 199) = ( 0.0961538 0.0961538 0.1923077), wk = 0.0020704 k( 200) = ( 0.0913462 0.0913462 0.1826923), wk = 0.0020704 k( 201) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0020704 k( 202) = ( 0.0817308 0.0817308 0.1634615), wk = 0.0020704 k( 203) = ( 0.0769231 0.0769231 0.1538461), wk = 0.0020704 k( 204) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0020704 k( 205) = ( 0.0673077 0.0673077 0.1346154), wk = 0.0020704 k( 206) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0020704 k( 207) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0020704 k( 208) = ( 0.0528846 0.0528846 0.1057692), wk = 0.0020704 k( 209) = ( 0.0480769 0.0480769 0.0961538), wk = 0.0020704 k( 210) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0020704 k( 211) = ( 0.0384615 0.0384615 0.0769231), wk = 0.0020704 k( 212) = ( 0.0336538 0.0336538 0.0673077), wk = 0.0020704 k( 213) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0020704 k( 214) = ( 0.0240385 0.0240385 0.0480769), wk = 0.0020704 k( 215) = ( 0.0192308 0.0192308 0.0384615), wk = 0.0020704 k( 216) = ( 0.0144231 0.0144231 0.0288462), wk = 0.0020704 k( 217) = ( 0.0096154 0.0096154 0.0192308), wk = 0.0020704 k( 218) = ( 0.0048077 0.0048077 0.0096154), wk = 0.0020704 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 221) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0020704 k( 222) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0020704 k( 223) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0020704 k( 224) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0020704 k( 225) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0020704 k( 226) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0020704 k( 227) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0020704 k( 228) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0020704 k( 229) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0020704 k( 230) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0020704 k( 231) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0020704 k( 232) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0020704 k( 233) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0020704 k( 234) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0020704 k( 235) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0020704 k( 236) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0020704 k( 237) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0020704 k( 238) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0020704 k( 239) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0020704 k( 240) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0020704 k( 241) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0020704 k( 242) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0020704 k( 243) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0020704 k( 244) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0020704 k( 245) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0020704 k( 246) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0020704 k( 247) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0020704 k( 248) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0020704 k( 249) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0020704 k( 250) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0020704 k( 251) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0020704 k( 252) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020704 k( 253) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0020704 k( 254) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0020704 k( 255) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0020704 k( 256) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0020704 k( 257) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0020704 k( 258) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0020704 k( 259) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0020704 k( 260) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0020704 k( 261) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0020704 k( 262) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0020704 k( 263) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0020704 k( 264) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0020704 k( 265) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0020704 k( 266) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0020704 k( 267) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0020704 k( 268) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0020704 k( 269) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0020704 k( 270) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0020704 k( 271) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0020704 k( 272) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0020704 k( 273) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0020704 k( 274) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0020704 k( 275) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0020704 k( 276) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0020704 k( 277) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0020704 k( 278) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0020704 k( 279) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0020704 k( 280) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0020704 k( 281) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0020704 k( 282) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0020704 k( 283) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0020704 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020704 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020704 k( 286) = ( 0.5027778 0.4944444 0.5027778), wk = 0.0020704 k( 287) = ( 0.5055556 0.4888889 0.5055556), wk = 0.0020704 k( 288) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0020704 k( 289) = ( 0.5111111 0.4777778 0.5111111), wk = 0.0020704 k( 290) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0020704 k( 291) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0020704 k( 292) = ( 0.5194444 0.4611111 0.5194444), wk = 0.0020704 k( 293) = ( 0.5222222 0.4555556 0.5222222), wk = 0.0020704 k( 294) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0020704 k( 295) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0020704 k( 296) = ( 0.5305556 0.4388889 0.5305556), wk = 0.0020704 k( 297) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0020704 k( 298) = ( 0.5361111 0.4277778 0.5361111), wk = 0.0020704 k( 299) = ( 0.5388889 0.4222222 0.5388889), wk = 0.0020704 k( 300) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0020704 k( 301) = ( 0.5444444 0.4111111 0.5444444), wk = 0.0020704 k( 302) = ( 0.5472222 0.4055556 0.5472222), wk = 0.0020704 k( 303) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0020704 k( 304) = ( 0.5527778 0.3944444 0.5527778), wk = 0.0020704 k( 305) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0020704 k( 306) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0020704 k( 307) = ( 0.5611111 0.3777778 0.5611111), wk = 0.0020704 k( 308) = ( 0.5638889 0.3722222 0.5638889), wk = 0.0020704 k( 309) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0020704 k( 310) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0020704 k( 311) = ( 0.5722222 0.3555556 0.5722222), wk = 0.0020704 k( 312) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0020704 k( 313) = ( 0.5777778 0.3444444 0.5777778), wk = 0.0020704 k( 314) = ( 0.5805556 0.3388889 0.5805556), wk = 0.0020704 k( 315) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0020704 k( 316) = ( 0.5861111 0.3277778 0.5861111), wk = 0.0020704 k( 317) = ( 0.5888889 0.3222222 0.5888889), wk = 0.0020704 k( 318) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0020704 k( 319) = ( 0.5944444 0.3111111 0.5944444), wk = 0.0020704 k( 320) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0020704 k( 321) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0020704 k( 322) = ( 0.6027778 0.2944444 0.6027778), wk = 0.0020704 k( 323) = ( 0.6055556 0.2888889 0.6055556), wk = 0.0020704 k( 324) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0020704 k( 325) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0020704 k( 326) = ( 0.6138889 0.2722222 0.6138889), wk = 0.0020704 k( 327) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0020704 k( 328) = ( 0.6194444 0.2611111 0.6194444), wk = 0.0020704 k( 329) = ( 0.6222222 0.2555556 0.6222222), wk = 0.0020704 k( 330) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020704 k( 331) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020704 k( 332) = ( 0.6201923 0.2500000 0.6298077), wk = 0.0020704 k( 333) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0020704 k( 334) = ( 0.6105769 0.2500000 0.6394231), wk = 0.0020704 k( 335) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0020704 k( 336) = ( 0.6009615 0.2500000 0.6490385), wk = 0.0020704 k( 337) = ( 0.5961538 0.2500000 0.6538462), wk = 0.0020704 k( 338) = ( 0.5913462 0.2500000 0.6586538), wk = 0.0020704 k( 339) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0020704 k( 340) = ( 0.5817308 0.2500000 0.6682692), wk = 0.0020704 k( 341) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0020704 k( 342) = ( 0.5721154 0.2500000 0.6778846), wk = 0.0020704 k( 343) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0020704 k( 344) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0020704 k( 345) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0020704 k( 346) = ( 0.5528846 0.2500000 0.6971154), wk = 0.0020704 k( 347) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0020704 k( 348) = ( 0.5432692 0.2500000 0.7067308), wk = 0.0020704 k( 349) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0020704 k( 350) = ( 0.5336538 0.2500000 0.7163461), wk = 0.0020704 k( 351) = ( 0.5288462 0.2500000 0.7211538), wk = 0.0020704 k( 352) = ( 0.5240385 0.2500000 0.7259615), wk = 0.0020704 k( 353) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0020704 k( 354) = ( 0.5144231 0.2500000 0.7355769), wk = 0.0020704 k( 355) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0020704 k( 356) = ( 0.5048077 0.2500000 0.7451923), wk = 0.0020704 k( 357) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020704 k( 358) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020704 k( 359) = ( 0.5000000 0.2548077 0.7451923), wk = 0.0020704 k( 360) = ( 0.5000000 0.2596154 0.7403846), wk = 0.0020704 k( 361) = ( 0.5000000 0.2644231 0.7355769), wk = 0.0020704 k( 362) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0020704 k( 363) = ( 0.5000000 0.2740385 0.7259615), wk = 0.0020704 k( 364) = ( 0.5000000 0.2788462 0.7211538), wk = 0.0020704 k( 365) = ( 0.5000000 0.2836538 0.7163461), wk = 0.0020704 k( 366) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0020704 k( 367) = ( 0.5000000 0.2932692 0.7067308), wk = 0.0020704 k( 368) = ( 0.5000000 0.2980769 0.7019231), wk = 0.0020704 k( 369) = ( 0.5000000 0.3028846 0.6971154), wk = 0.0020704 k( 370) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0020704 k( 371) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0020704 k( 372) = ( 0.5000000 0.3173077 0.6826923), wk = 0.0020704 k( 373) = ( 0.5000000 0.3221154 0.6778846), wk = 0.0020704 k( 374) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0020704 k( 375) = ( 0.5000000 0.3317308 0.6682692), wk = 0.0020704 k( 376) = ( 0.5000000 0.3365385 0.6634615), wk = 0.0020704 k( 377) = ( 0.5000000 0.3413462 0.6586538), wk = 0.0020704 k( 378) = ( 0.5000000 0.3461538 0.6538462), wk = 0.0020704 k( 379) = ( 0.5000000 0.3509615 0.6490385), wk = 0.0020704 k( 380) = ( 0.5000000 0.3557692 0.6442308), wk = 0.0020704 k( 381) = ( 0.5000000 0.3605769 0.6394231), wk = 0.0020704 k( 382) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0020704 k( 383) = ( 0.5000000 0.3701923 0.6298077), wk = 0.0020704 k( 384) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0020704 k( 385) = ( 0.5000000 0.3798077 0.6201923), wk = 0.0020704 k( 386) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0020704 k( 387) = ( 0.5000000 0.3894231 0.6105769), wk = 0.0020704 k( 388) = ( 0.5000000 0.3942308 0.6057692), wk = 0.0020704 k( 389) = ( 0.5000000 0.3990385 0.6009615), wk = 0.0020704 k( 390) = ( 0.5000000 0.4038462 0.5961538), wk = 0.0020704 k( 391) = ( 0.5000000 0.4086538 0.5913461), wk = 0.0020704 k( 392) = ( 0.5000000 0.4134615 0.5865385), wk = 0.0020704 k( 393) = ( 0.5000000 0.4182692 0.5817308), wk = 0.0020704 k( 394) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0020704 k( 395) = ( 0.5000000 0.4278846 0.5721154), wk = 0.0020704 k( 396) = ( 0.5000000 0.4326923 0.5673077), wk = 0.0020704 k( 397) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0020704 k( 398) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0020704 k( 399) = ( 0.5000000 0.4471154 0.5528846), wk = 0.0020704 k( 400) = ( 0.5000000 0.4519231 0.5480769), wk = 0.0020704 k( 401) = ( 0.5000000 0.4567308 0.5432692), wk = 0.0020704 k( 402) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0020704 k( 403) = ( 0.5000000 0.4663462 0.5336538), wk = 0.0020704 k( 404) = ( 0.5000000 0.4711538 0.5288462), wk = 0.0020704 k( 405) = ( 0.5000000 0.4759615 0.5240385), wk = 0.0020704 k( 406) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0020704 k( 407) = ( 0.5000000 0.4855769 0.5144231), wk = 0.0020704 k( 408) = ( 0.5000000 0.4903846 0.5096154), wk = 0.0020704 k( 409) = ( 0.5000000 0.4951923 0.5048077), wk = 0.0020704 k( 410) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020704 k( 411) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020704 k( 412) = ( 0.4972222 0.4972222 0.5055556), wk = 0.0020704 k( 413) = ( 0.4944444 0.4944444 0.5111111), wk = 0.0020704 k( 414) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0020704 k( 415) = ( 0.4888889 0.4888889 0.5222222), wk = 0.0020704 k( 416) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0020704 k( 417) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0020704 k( 418) = ( 0.4805556 0.4805556 0.5388889), wk = 0.0020704 k( 419) = ( 0.4777778 0.4777778 0.5444444), wk = 0.0020704 k( 420) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0020704 k( 421) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0020704 k( 422) = ( 0.4694444 0.4694444 0.5611111), wk = 0.0020704 k( 423) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0020704 k( 424) = ( 0.4638889 0.4638889 0.5722222), wk = 0.0020704 k( 425) = ( 0.4611111 0.4611111 0.5777778), wk = 0.0020704 k( 426) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0020704 k( 427) = ( 0.4555556 0.4555556 0.5888889), wk = 0.0020704 k( 428) = ( 0.4527778 0.4527778 0.5944444), wk = 0.0020704 k( 429) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0020704 k( 430) = ( 0.4472222 0.4472222 0.6055556), wk = 0.0020704 k( 431) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0020704 k( 432) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0020704 k( 433) = ( 0.4388889 0.4388889 0.6222222), wk = 0.0020704 k( 434) = ( 0.4361111 0.4361111 0.6277778), wk = 0.0020704 k( 435) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0020704 k( 436) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0020704 k( 437) = ( 0.4277778 0.4277778 0.6444444), wk = 0.0020704 k( 438) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0020704 k( 439) = ( 0.4222222 0.4222222 0.6555556), wk = 0.0020704 k( 440) = ( 0.4194444 0.4194444 0.6611111), wk = 0.0020704 k( 441) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0020704 k( 442) = ( 0.4138889 0.4138889 0.6722222), wk = 0.0020704 k( 443) = ( 0.4111111 0.4111111 0.6777778), wk = 0.0020704 k( 444) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0020704 k( 445) = ( 0.4055556 0.4055556 0.6888889), wk = 0.0020704 k( 446) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0020704 k( 447) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0020704 k( 448) = ( 0.3972222 0.3972222 0.7055556), wk = 0.0020704 k( 449) = ( 0.3944444 0.3944444 0.7111111), wk = 0.0020704 k( 450) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0020704 k( 451) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0020704 k( 452) = ( 0.3861111 0.3861111 0.7277778), wk = 0.0020704 k( 453) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0020704 k( 454) = ( 0.3805556 0.3805556 0.7388889), wk = 0.0020704 k( 455) = ( 0.3777778 0.3777778 0.7444444), wk = 0.0020704 k( 456) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020704 k( 457) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020704 k( 458) = ( 0.6201923 0.2403846 0.6201923), wk = 0.0020704 k( 459) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0020704 k( 460) = ( 0.6105769 0.2211538 0.6105769), wk = 0.0020704 k( 461) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0020704 k( 462) = ( 0.6009615 0.2019231 0.6009615), wk = 0.0020704 k( 463) = ( 0.5961538 0.1923077 0.5961538), wk = 0.0020704 k( 464) = ( 0.5913462 0.1826923 0.5913462), wk = 0.0020704 k( 465) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0020704 k( 466) = ( 0.5817308 0.1634615 0.5817308), wk = 0.0020704 k( 467) = ( 0.5769231 0.1538461 0.5769231), wk = 0.0020704 k( 468) = ( 0.5721154 0.1442308 0.5721154), wk = 0.0020704 k( 469) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0020704 k( 470) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0020704 k( 471) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0020704 k( 472) = ( 0.5528846 0.1057692 0.5528846), wk = 0.0020704 k( 473) = ( 0.5480769 0.0961538 0.5480769), wk = 0.0020704 k( 474) = ( 0.5432692 0.0865385 0.5432692), wk = 0.0020704 k( 475) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0020704 k( 476) = ( 0.5336538 0.0673077 0.5336538), wk = 0.0020704 k( 477) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0020704 k( 478) = ( 0.5240385 0.0480769 0.5240385), wk = 0.0020704 k( 479) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0020704 k( 480) = ( 0.5144231 0.0288461 0.5144231), wk = 0.0020704 k( 481) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0020704 k( 482) = ( 0.5048077 0.0096154 0.5048077), wk = 0.0020704 k( 483) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020704 Dense grid: 13323 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 6303 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 46, 26) NL pseudopotentials 0.02 Mb ( 23, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 371) G-vector shells 0.00 Mb ( 138) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 46, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./MoC.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.1 secs Computing kpt #: 12 total cpu time spent up to now is 3.2 secs Computing kpt #: 13 total cpu time spent up to now is 3.3 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.4 secs Computing kpt #: 16 total cpu time spent up to now is 3.5 secs Computing kpt #: 17 total cpu time spent up to now is 3.5 secs Computing kpt #: 18 total cpu time spent up to now is 3.6 secs Computing kpt #: 19 total cpu time spent up to now is 3.6 secs Computing kpt #: 20 total cpu time spent up to now is 3.7 secs Computing kpt #: 21 total cpu time spent up to now is 3.8 secs Computing kpt #: 22 total cpu time spent up to now is 3.8 secs Computing kpt #: 23 total cpu time spent up to now is 3.9 secs Computing kpt #: 24 total cpu time spent up to now is 4.0 secs Computing kpt #: 25 total cpu time spent up to now is 4.0 secs Computing kpt #: 26 total cpu time spent up to now is 4.1 secs Computing kpt #: 27 total cpu time spent up to now is 4.1 secs Computing kpt #: 28 total cpu time spent up to now is 4.2 secs Computing kpt #: 29 total cpu time spent up to now is 4.3 secs Computing kpt #: 30 total cpu time spent up to now is 4.3 secs Computing kpt #: 31 total cpu time spent up to now is 4.4 secs Computing kpt #: 32 total cpu time spent up to now is 4.5 secs Computing kpt #: 33 total cpu time spent up to now is 4.5 secs Computing kpt #: 34 total cpu time spent up to now is 4.6 secs Computing kpt #: 35 total cpu time spent up to now is 4.7 secs Computing kpt #: 36 total cpu time spent up to now is 4.7 secs Computing kpt #: 37 total cpu time spent up to now is 4.8 secs Computing kpt #: 38 total cpu time spent up to now is 4.9 secs Computing kpt #: 39 total cpu time spent up to now is 4.9 secs Computing kpt #: 40 total cpu time spent up to now is 5.0 secs Computing kpt #: 41 total cpu time spent up to now is 5.1 secs Computing kpt #: 42 total cpu time spent up to now is 5.2 secs Computing kpt #: 43 total cpu time spent up to now is 5.2 secs Computing kpt #: 44 total cpu time spent up to now is 5.3 secs Computing kpt #: 45 total cpu time spent up to now is 5.4 secs Computing kpt #: 46 total cpu time spent up to now is 5.4 secs Computing kpt #: 47 total cpu time spent up to now is 5.5 secs Computing kpt #: 48 total cpu time spent up to now is 5.6 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 5.8 secs Computing kpt #: 52 total cpu time spent up to now is 5.9 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 6.1 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 6.4 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 6.6 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 6.8 secs Computing kpt #: 67 total cpu time spent up to now is 6.9 secs Computing kpt #: 68 total cpu time spent up to now is 6.9 secs Computing kpt #: 69 total cpu time spent up to now is 7.0 secs Computing kpt #: 70 total cpu time spent up to now is 7.1 secs Computing kpt #: 71 total cpu time spent up to now is 7.1 secs Computing kpt #: 72 total cpu time spent up to now is 7.2 secs Computing kpt #: 73 total cpu time spent up to now is 7.2 secs Computing kpt #: 74 total cpu time spent up to now is 7.3 secs Computing kpt #: 75 total cpu time spent up to now is 7.4 secs Computing kpt #: 76 total cpu time spent up to now is 7.4 secs Computing kpt #: 77 total cpu time spent up to now is 7.5 secs Computing kpt #: 78 total cpu time spent up to now is 7.5 secs Computing kpt #: 79 total cpu time spent up to now is 7.6 secs Computing kpt #: 80 total cpu time spent up to now is 7.7 secs Computing kpt #: 81 total cpu time spent up to now is 7.7 secs Computing kpt #: 82 total cpu time spent up to now is 7.8 secs Computing kpt #: 83 total cpu time spent up to now is 7.8 secs Computing kpt #: 84 total cpu time spent up to now is 7.9 secs Computing kpt #: 85 total cpu time spent up to now is 8.0 secs Computing kpt #: 86 total cpu time spent up to now is 8.0 secs Computing kpt #: 87 total cpu time spent up to now is 8.1 secs Computing kpt #: 88 total cpu time spent up to now is 8.1 secs Computing kpt #: 89 total cpu time spent up to now is 8.2 secs Computing kpt #: 90 total cpu time spent up to now is 8.3 secs Computing kpt #: 91 total cpu time spent up to now is 8.3 secs Computing kpt #: 92 total cpu time spent up to now is 8.4 secs Computing kpt #: 93 total cpu time spent up to now is 8.4 secs Computing kpt #: 94 total cpu time spent up to now is 8.5 secs Computing kpt #: 95 total cpu time spent up to now is 8.6 secs Computing kpt #: 96 total cpu time spent up to now is 8.6 secs Computing kpt #: 97 total cpu time spent up to now is 8.7 secs Computing kpt #: 98 total cpu time spent up to now is 8.8 secs Computing kpt #: 99 total cpu time spent up to now is 8.8 secs Computing kpt #: 100 total cpu time spent up to now is 8.9 secs Computing kpt #: 101 total cpu time spent up to now is 8.9 secs Computing kpt #: 102 total cpu time spent up to now is 9.0 secs Computing kpt #: 103 total cpu time spent up to now is 9.1 secs Computing kpt #: 104 total cpu time spent up to now is 9.1 secs Computing kpt #: 105 total cpu time spent up to now is 9.2 secs Computing kpt #: 106 total cpu time spent up to now is 9.2 secs Computing kpt #: 107 total cpu time spent up to now is 9.3 secs Computing kpt #: 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is 10.3 secs Computing kpt #: 124 total cpu time spent up to now is 10.4 secs Computing kpt #: 125 total cpu time spent up to now is 10.4 secs Computing kpt #: 126 total cpu time spent up to now is 10.5 secs Computing kpt #: 127 total cpu time spent up to now is 10.5 secs Computing kpt #: 128 total cpu time spent up to now is 10.6 secs Computing kpt #: 129 total cpu time spent up to now is 10.7 secs Computing kpt #: 130 total cpu time spent up to now is 10.7 secs Computing kpt #: 131 total cpu time spent up to now is 10.8 secs Computing kpt #: 132 total cpu time spent up to now is 11.2 secs Computing kpt #: 133 total cpu time spent up to now is 11.2 secs Computing kpt #: 134 total cpu time spent up to now is 11.3 secs Computing kpt #: 135 total cpu time spent up to now is 11.4 secs Computing kpt #: 136 total cpu time spent up to now is 11.4 secs Computing kpt #: 137 total cpu time spent up to now is 11.5 secs Computing kpt #: 138 total cpu time spent up to now is 11.5 secs Computing kpt #: 139 total cpu time spent up to now is 11.6 secs Computing kpt #: 140 total cpu time spent up to now is 11.7 secs Computing kpt #: 141 total cpu time spent up to now is 11.7 secs Computing kpt #: 142 total cpu time spent up to now is 11.8 secs Computing kpt #: 143 total cpu time spent up to now is 11.8 secs Computing kpt #: 144 total cpu time spent up to now is 11.9 secs Computing kpt #: 145 total cpu time spent up to now is 12.0 secs Computing kpt #: 146 total cpu time spent up to now is 12.0 secs Computing kpt #: 147 total cpu time spent up to now is 12.1 secs Computing kpt #: 148 total cpu time spent up to now is 12.2 secs Computing kpt #: 149 total cpu time spent up to now is 12.2 secs Computing kpt #: 150 total cpu time spent up to now is 12.3 secs Computing kpt #: 151 total cpu time spent up to now is 12.3 secs Computing kpt #: 152 total cpu time spent up to now is 12.4 secs Computing kpt #: 153 total cpu time spent up to now is 12.5 secs Computing kpt #: 154 total cpu time spent up to now is 12.5 secs Computing kpt #: 155 total cpu time spent up to now is 12.6 secs Computing kpt #: 156 total cpu time spent up to now is 12.6 secs Computing kpt #: 157 total cpu time spent up to now is 12.7 secs Computing kpt #: 158 total cpu time spent up to now is 12.8 secs Computing kpt #: 159 total cpu time spent up to now is 12.8 secs Computing kpt #: 160 total cpu time spent up to now is 12.9 secs Computing kpt #: 161 total cpu time spent up to now is 13.0 secs Computing kpt #: 162 total cpu time spent up to now is 13.1 secs Computing kpt #: 163 total cpu time spent up to now is 13.1 secs Computing kpt #: 164 total cpu time spent up to now is 13.2 secs Computing kpt #: 165 total cpu time spent up to now is 13.3 secs Computing kpt #: 166 total cpu time spent up to now is 13.3 secs Computing kpt #: 167 total cpu time spent up to now is 13.4 secs Computing kpt #: 168 total cpu time spent up to now is 13.5 secs Computing kpt #: 169 total cpu time spent up to now is 13.6 secs Computing kpt #: 170 total cpu time spent up to now is 13.6 secs Computing kpt #: 171 total cpu time spent up to now is 13.7 secs Computing kpt #: 172 total cpu time spent up to now is 13.8 secs Computing kpt #: 173 total cpu time spent up to now is 13.8 secs Computing kpt #: 174 total cpu time spent up to now is 13.9 secs Computing kpt #: 175 total cpu time spent up to now is 14.0 secs Computing kpt #: 176 total cpu time spent up to now is 14.1 secs Computing kpt #: 177 total cpu time spent up to now is 14.1 secs Computing kpt #: 178 total cpu time spent up to now is 14.2 secs Computing kpt #: 179 total cpu time spent up to now is 14.3 secs Computing kpt #: 180 total cpu time spent up to now is 14.3 secs Computing kpt #: 181 total cpu time spent up to now is 14.4 secs Computing kpt #: 182 total cpu time spent up to now is 14.5 secs Computing kpt #: 183 total cpu time spent up to now is 14.5 secs Computing kpt #: 184 total cpu time spent up to now is 14.6 secs Computing kpt #: 185 total cpu time spent up to now is 14.7 secs Computing kpt #: 186 total cpu time spent up to now is 14.7 secs Computing kpt #: 187 total cpu time spent up to now is 14.8 secs Computing kpt #: 188 total cpu time spent up to now is 14.8 secs Computing kpt #: 189 total cpu time spent up to now is 14.9 secs Computing kpt #: 190 total cpu time spent up to now is 15.0 secs Computing kpt #: 191 total cpu time spent up to now is 15.0 secs Computing kpt #: 192 total cpu time spent up to now is 15.1 secs Computing kpt #: 193 total cpu time spent up to now is 15.1 secs Computing kpt #: 194 total cpu time spent up to now is 15.2 secs Computing kpt #: 195 total cpu time spent up to now is 15.3 secs Computing kpt #: 196 total cpu time spent up to now is 15.3 secs Computing kpt #: 197 total cpu time spent up to now is 15.4 secs Computing kpt #: 198 total cpu time spent up to now is 15.4 secs Computing kpt #: 199 total cpu time spent up to now is 15.5 secs Computing kpt #: 200 total cpu time spent up to now is 15.6 secs Computing kpt #: 201 total cpu time spent up to now is 15.6 secs Computing kpt #: 202 total cpu time spent up to now is 15.7 secs Computing kpt #: 203 total cpu time spent up to now is 15.8 secs Computing kpt #: 204 total cpu time spent up to now is 15.8 secs Computing kpt #: 205 total cpu time spent up to now is 15.9 secs Computing kpt #: 206 total cpu time spent up to now is 15.9 secs Computing kpt #: 207 total cpu time spent up to now is 16.0 secs Computing kpt #: 208 total cpu time spent up to now is 16.0 secs Computing kpt #: 209 total cpu time spent up to now is 16.1 secs Computing kpt #: 210 total cpu time spent up to now is 16.2 secs Computing kpt #: 211 total cpu time spent up to now is 16.2 secs Computing kpt #: 212 total cpu time spent up to now is 16.3 secs Computing kpt #: 213 total cpu time spent up to now is 16.4 secs Computing kpt #: 214 total cpu time spent up to now is 16.5 secs Computing kpt #: 215 total cpu time spent up to now is 16.6 secs Computing kpt #: 216 total cpu time spent up to now is 16.6 secs Computing kpt #: 217 total cpu time spent up to now is 16.7 secs Computing kpt #: 218 total cpu time spent up to now is 16.8 secs Computing kpt #: 219 total cpu time spent up to now is 16.9 secs Computing kpt #: 220 total cpu time spent up to now is 16.9 secs Computing kpt #: 221 total cpu time spent up to now is 17.0 secs Computing kpt #: 222 total cpu time spent up to now is 17.1 secs Computing kpt #: 223 total cpu time spent up to now is 17.2 secs Computing kpt #: 224 total cpu time spent up to now is 17.3 secs Computing kpt #: 225 total cpu time spent up to now is 17.3 secs Computing kpt #: 226 total cpu time spent up to now is 17.4 secs Computing kpt #: 227 total cpu time spent up to now is 17.5 secs Computing kpt #: 228 total cpu time spent up to now is 17.6 secs Computing kpt #: 229 total cpu time spent up to now is 17.6 secs Computing kpt #: 230 total cpu time spent up to now is 17.7 secs Computing kpt #: 231 total cpu time spent up to now is 17.8 secs Computing kpt #: 232 total cpu time spent up to now is 17.9 secs Computing kpt #: 233 total cpu time spent up to now is 17.9 secs Computing kpt #: 234 total cpu time spent up to now is 18.0 secs Computing kpt #: 235 total cpu time spent up to now is 18.0 secs Computing kpt #: 236 total cpu time spent up to now is 18.1 secs Computing kpt #: 237 total cpu time spent up to now is 18.2 secs Computing kpt #: 238 total cpu time spent up to now is 18.2 secs Computing kpt #: 239 total cpu time spent up to now is 18.3 secs Computing kpt #: 240 total cpu time spent up to now is 18.3 secs Computing kpt #: 241 total cpu time spent up to now is 18.4 secs Computing kpt #: 242 total cpu time spent up to now is 18.5 secs Computing kpt #: 243 total cpu time spent up to now is 18.5 secs Computing kpt #: 244 total cpu time spent up to now is 18.6 secs Computing kpt #: 245 total cpu time spent up to now is 18.6 secs Computing kpt #: 246 total cpu time spent up to now is 18.7 secs Computing kpt #: 247 total cpu time spent up to now is 18.8 secs Computing kpt #: 248 total cpu time spent up to now is 18.8 secs Computing kpt #: 249 total cpu time spent up to now is 18.9 secs Computing kpt #: 250 total cpu time spent up to now is 19.0 secs Computing kpt #: 251 total cpu time spent up to now is 19.0 secs Computing kpt #: 252 total cpu time spent up to now is 19.1 secs Computing kpt #: 253 total cpu time spent up to now is 19.1 secs Computing kpt #: 254 total cpu time spent up to now is 19.2 secs Computing kpt #: 255 total cpu time spent up to now is 19.3 secs Computing kpt #: 256 total cpu time spent up to now is 19.3 secs Computing kpt #: 257 total cpu time spent up to now is 19.4 secs Computing kpt #: 258 total cpu time spent up to now is 19.5 secs Computing kpt #: 259 total cpu time spent up to now is 19.5 secs Computing kpt #: 260 total cpu time spent up to now is 19.6 secs Computing kpt #: 261 total cpu time spent up to now is 19.7 secs Computing kpt #: 262 total cpu time spent up to now is 19.7 secs Computing kpt #: 263 total cpu time spent up to now is 19.8 secs Computing kpt #: 264 total cpu time spent up to now is 19.9 secs Computing kpt #: 265 total cpu time spent up to now is 20.0 secs Computing kpt #: 266 total cpu time spent up to now is 20.0 secs Computing kpt #: 267 total cpu time spent up to now is 20.1 secs Computing kpt #: 268 total cpu time spent up to now is 20.2 secs Computing kpt #: 269 total cpu time spent up to now is 20.3 secs Computing kpt #: 270 total cpu time spent up to now is 20.4 secs Computing kpt #: 271 total cpu time spent up to now is 20.5 secs Computing kpt #: 272 total cpu time spent up to now is 20.6 secs Computing kpt #: 273 total cpu time spent up to now is 20.6 secs Computing kpt #: 274 total cpu time spent up to now is 20.7 secs Computing kpt #: 275 total cpu time spent up to now is 20.8 secs Computing kpt #: 276 total cpu time spent up to now is 20.9 secs Computing kpt #: 277 total cpu time spent up to now is 21.0 secs Computing kpt #: 278 total cpu time spent up to now is 21.1 secs Computing kpt #: 279 total cpu time spent up to now is 21.2 secs Computing kpt #: 280 total cpu time spent up to now is 21.3 secs Computing kpt #: 281 total cpu time spent up to now is 21.4 secs Computing kpt #: 282 total cpu time spent up to now is 21.4 secs Computing kpt #: 283 total cpu time spent up to now is 21.5 secs Computing kpt #: 284 total cpu time spent up to now is 21.6 secs Computing kpt #: 285 total cpu time spent up to now is 21.7 secs Computing kpt #: 286 total cpu time spent up to now is 21.8 secs Computing kpt #: 287 total cpu time spent up to now is 21.9 secs Computing kpt #: 288 total cpu time spent up to now is 22.0 secs Computing kpt #: 289 total cpu time spent up to now is 22.1 secs Computing kpt #: 290 total cpu time spent up to now is 22.2 secs Computing kpt #: 291 total cpu time spent up to now is 22.3 secs Computing kpt #: 292 total cpu time spent up to now is 22.4 secs Computing kpt #: 293 total cpu time spent up to now is 22.4 secs Computing kpt #: 294 total cpu time spent up to now is 22.5 secs Computing kpt #: 295 total cpu time spent up to now is 22.6 secs Computing kpt #: 296 total cpu time spent up to now is 22.7 secs Computing kpt #: 297 total cpu time spent up to now is 22.8 secs Computing kpt #: 298 total cpu time spent up to now is 22.9 secs Computing kpt #: 299 total cpu time spent up to now is 23.0 secs Computing kpt #: 300 total cpu time spent up to now is 23.1 secs Computing kpt #: 301 total cpu time spent up to now is 23.1 secs Computing kpt #: 302 total cpu time spent up to now is 23.2 secs Computing kpt #: 303 total cpu time spent up to now is 23.3 secs Computing kpt #: 304 total cpu time spent up to now is 23.4 secs Computing kpt #: 305 total cpu time spent up to now is 23.5 secs Computing kpt #: 306 total cpu time spent up to now is 23.5 secs Computing kpt #: 307 total cpu time spent up to now is 23.6 secs Computing kpt #: 308 total cpu time spent up to now is 23.7 secs Computing kpt #: 309 total cpu time spent up to now is 23.8 secs Computing kpt #: 310 total cpu time spent up to now is 23.8 secs Computing kpt #: 311 total cpu time spent up to now is 23.9 secs Computing kpt #: 312 total cpu time spent up to now is 23.9 secs Computing kpt #: 313 total cpu time spent up to now is 24.0 secs Computing kpt #: 314 total cpu time spent up to now is 24.1 secs Computing kpt #: 315 total cpu time spent up to now is 24.1 secs Computing kpt #: 316 total cpu time spent up to now is 24.2 secs Computing kpt #: 317 total cpu time spent up to now is 24.3 secs Computing kpt #: 318 total cpu time spent up to now is 24.3 secs Computing kpt #: 319 total cpu time spent up to now is 24.4 secs Computing kpt #: 320 total cpu time spent up to now is 24.5 secs Computing kpt #: 321 total cpu time spent up to now is 24.5 secs Computing kpt #: 322 total cpu time spent up to now is 24.6 secs Computing kpt #: 323 total cpu time spent up to now is 24.6 secs Computing kpt #: 324 total cpu time spent up to now is 24.7 secs Computing kpt #: 325 total cpu time spent up to now is 24.8 secs Computing kpt #: 326 total cpu time spent up to now is 24.8 secs Computing kpt #: 327 total cpu time spent up to now is 24.9 secs Computing kpt #: 328 total cpu time spent up to now is 24.9 secs Computing kpt #: 329 total cpu time spent up to now is 25.0 secs Computing kpt #: 330 total cpu time spent up to now is 25.1 secs Computing kpt #: 331 total cpu time spent up to now is 25.1 secs Computing kpt #: 332 total cpu time spent up to now is 25.2 secs Computing kpt #: 333 total cpu time spent up to now is 25.3 secs Computing kpt #: 334 total cpu time spent up to now is 25.3 secs Computing kpt #: 335 total cpu time spent up to now is 25.4 secs Computing kpt #: 336 total cpu time spent up to now is 25.4 secs Computing kpt #: 337 total cpu time spent up to now is 25.5 secs Computing kpt #: 338 total cpu time spent up to now is 25.6 secs Computing kpt #: 339 total cpu time spent up to now is 25.6 secs Computing kpt #: 340 total cpu time spent up to now is 25.7 secs Computing kpt #: 341 total cpu time spent up to now is 25.8 secs Computing kpt #: 342 total cpu time spent up to now is 25.8 secs Computing kpt #: 343 total cpu time spent up to now is 25.9 secs Computing kpt #: 344 total cpu time spent up to now is 25.9 secs Computing kpt #: 345 total cpu time spent up to now is 26.0 secs Computing kpt #: 346 total cpu time spent up to now is 26.1 secs Computing kpt #: 347 total cpu time spent up to now is 26.1 secs Computing kpt #: 348 total cpu time spent up to now is 26.2 secs Computing kpt #: 349 total cpu time spent up to now is 26.3 secs Computing kpt #: 350 total cpu time spent up to now is 26.3 secs Computing kpt #: 351 total cpu time spent up to now is 26.4 secs Computing kpt #: 352 total cpu time spent up to now is 26.4 secs Computing kpt #: 353 total cpu time spent up to now is 26.5 secs Computing kpt #: 354 total cpu time spent up to now is 26.6 secs Computing kpt #: 355 total cpu time spent up to now is 26.6 secs Computing kpt #: 356 total cpu time spent up to now is 26.7 secs Computing kpt #: 357 total cpu time spent up to now is 26.7 secs Computing kpt #: 358 total cpu time spent up to now is 26.8 secs Computing kpt #: 359 total cpu time spent up to now is 26.9 secs Computing kpt #: 360 total cpu time spent up to now is 26.9 secs Computing kpt #: 361 total cpu time spent up to now is 27.0 secs Computing kpt #: 362 total cpu time spent up to now is 27.1 secs Computing kpt #: 363 total cpu time spent up to now is 27.1 secs Computing kpt #: 364 total cpu time spent up to now is 27.2 secs Computing kpt #: 365 total cpu time spent up to now is 27.2 secs Computing kpt #: 366 total cpu time spent up to now is 27.3 secs Computing kpt #: 367 total cpu time spent up to now is 27.4 secs Computing kpt #: 368 total cpu time spent up to now is 27.4 secs Computing kpt #: 369 total cpu time spent up to now is 27.5 secs Computing kpt #: 370 total cpu time spent up to now is 27.6 secs Computing kpt #: 371 total cpu time spent up to now is 27.6 secs Computing kpt #: 372 total cpu time spent up to now is 27.7 secs Computing kpt #: 373 total cpu time spent up to now is 27.7 secs Computing kpt #: 374 total cpu time spent up to now is 27.8 secs Computing kpt #: 375 total cpu time spent up to now is 27.9 secs Computing kpt #: 376 total cpu time spent up to now is 27.9 secs Computing kpt #: 377 total cpu time spent up to now is 28.0 secs Computing kpt #: 378 total cpu time spent up to now is 28.0 secs Computing kpt #: 379 total cpu time spent up to now is 28.1 secs Computing kpt #: 380 total cpu time spent up to now is 28.2 secs Computing kpt #: 381 total cpu time spent up to now is 28.2 secs Computing kpt #: 382 total cpu time spent up to now is 28.3 secs Computing kpt #: 383 total cpu time spent up to now is 28.4 secs Computing kpt #: 384 total cpu time spent up to now is 28.4 secs Computing kpt #: 385 total cpu time spent up to now is 28.5 secs Computing kpt #: 386 total cpu time spent up to now is 28.6 secs Computing kpt #: 387 total cpu time spent up to now is 28.6 secs Computing kpt #: 388 total cpu time spent up to now is 28.7 secs Computing kpt #: 389 total cpu time spent up to now is 28.8 secs Computing kpt #: 390 total cpu time spent up to now is 28.9 secs Computing kpt #: 391 total cpu time spent up to now is 29.0 secs Computing kpt #: 392 total cpu time spent up to now is 29.0 secs Computing kpt #: 393 total cpu time spent up to now is 29.1 secs Computing kpt #: 394 total cpu time spent up to now is 29.2 secs Computing kpt #: 395 total cpu time spent up to now is 29.3 secs Computing kpt #: 396 total cpu time spent up to now is 29.4 secs Computing kpt #: 397 total cpu time spent up to now is 29.5 secs Computing kpt #: 398 total cpu time spent up to now is 29.5 secs Computing kpt #: 399 total cpu time spent up to now is 29.6 secs Computing kpt #: 400 total cpu time spent up to now is 29.7 secs Computing kpt #: 401 total cpu time spent up to now is 29.8 secs Computing kpt #: 402 total cpu time spent up to now is 29.9 secs Computing kpt #: 403 total cpu time spent up to now is 30.0 secs Computing kpt #: 404 total cpu time spent up to now is 30.1 secs Computing kpt #: 405 total cpu time spent up to now is 30.2 secs Computing kpt #: 406 total cpu time spent up to now is 30.3 secs Computing kpt #: 407 total cpu time spent up to now is 30.3 secs Computing kpt #: 408 total cpu time spent up to now is 30.4 secs Computing kpt #: 409 total cpu time spent up to now is 30.5 secs Computing kpt #: 410 total cpu time spent up to now is 30.6 secs Computing kpt #: 411 total cpu time spent up to now is 30.7 secs Computing kpt #: 412 total cpu time spent up to now is 30.8 secs Computing kpt #: 413 total cpu time spent up to now is 30.9 secs Computing kpt #: 414 total cpu time spent up to now is 31.0 secs Computing kpt #: 415 total cpu time spent up to now is 31.1 secs Computing kpt #: 416 total cpu time spent up to now is 31.1 secs Computing kpt #: 417 total cpu time spent up to now is 31.2 secs Computing kpt #: 418 total cpu time spent up to now is 31.3 secs Computing kpt #: 419 total cpu time spent up to now is 31.4 secs Computing kpt #: 420 total cpu time spent up to now is 31.5 secs Computing kpt #: 421 total cpu time spent up to now is 31.6 secs Computing kpt #: 422 total cpu time spent up to now is 31.7 secs Computing kpt #: 423 total cpu time spent up to now is 31.8 secs Computing kpt #: 424 total cpu time spent up to now is 31.8 secs Computing kpt #: 425 total cpu time spent up to now is 31.9 secs Computing kpt #: 426 total cpu time spent up to now is 32.0 secs Computing kpt #: 427 total cpu time spent up to now is 32.1 secs Computing kpt #: 428 total cpu time spent up to now is 32.2 secs Computing kpt #: 429 total cpu time spent up to now is 32.2 secs Computing kpt #: 430 total cpu time spent up to now is 32.3 secs Computing kpt #: 431 total cpu time spent up to now is 32.4 secs Computing kpt #: 432 total cpu time spent up to now is 32.5 secs Computing kpt #: 433 total cpu time spent up to now is 32.5 secs Computing kpt #: 434 total cpu time spent up to now is 32.6 secs Computing kpt #: 435 total cpu time spent up to now is 32.7 secs Computing kpt #: 436 total cpu time spent up to now is 32.8 secs Computing kpt #: 437 total cpu time spent up to now is 32.8 secs Computing kpt #: 438 total cpu time spent up to now is 32.9 secs Computing kpt #: 439 total cpu time spent up to now is 32.9 secs Computing kpt #: 440 total cpu time spent up to now is 33.0 secs Computing kpt #: 441 total cpu time spent up to now is 33.1 secs Computing kpt #: 442 total cpu time spent up to now is 33.1 secs Computing kpt #: 443 total cpu time spent up to now is 33.2 secs Computing kpt #: 444 total cpu time spent up to now is 33.2 secs Computing kpt #: 445 total cpu time spent up to now is 33.3 secs Computing kpt #: 446 total cpu time spent up to now is 33.4 secs Computing kpt #: 447 total cpu time spent up to now is 33.4 secs Computing kpt #: 448 total cpu time spent up to now is 33.5 secs Computing kpt #: 449 total cpu time spent up to now is 33.5 secs Computing kpt #: 450 total cpu time spent up to now is 33.6 secs Computing kpt #: 451 total cpu time spent up to now is 33.7 secs Computing kpt #: 452 total cpu time spent up to now is 33.7 secs Computing kpt #: 453 total cpu time spent up to now is 33.8 secs Computing kpt #: 454 total cpu time spent up to now is 33.8 secs Computing kpt #: 455 total cpu time spent up to now is 33.9 secs Computing kpt #: 456 total cpu time spent up to now is 34.0 secs Computing kpt #: 457 total cpu time spent up to now is 34.0 secs Computing kpt #: 458 total cpu time spent up to now is 34.1 secs Computing kpt #: 459 total cpu time spent up to now is 34.1 secs Computing kpt #: 460 total cpu time spent up to now is 34.2 secs Computing kpt #: 461 total cpu time spent up to now is 34.3 secs Computing kpt #: 462 total cpu time spent up to now is 34.3 secs Computing kpt #: 463 total cpu time spent up to now is 34.4 secs Computing kpt #: 464 total cpu time spent up to now is 34.4 secs Computing kpt #: 465 total cpu time spent up to now is 34.5 secs Computing kpt #: 466 total cpu time spent up to now is 34.6 secs Computing kpt #: 467 total cpu time spent up to now is 34.6 secs Computing kpt #: 468 total cpu time spent up to now is 34.7 secs Computing kpt #: 469 total cpu time spent up to now is 34.7 secs Computing kpt #: 470 total cpu time spent up to now is 34.8 secs Computing kpt #: 471 total cpu time spent up to now is 34.9 secs Computing kpt #: 472 total cpu time spent up to now is 34.9 secs Computing kpt #: 473 total cpu time spent up to now is 35.0 secs Computing kpt #: 474 total cpu time spent up to now is 35.0 secs Computing kpt #: 475 total cpu time spent up to now is 35.1 secs Computing kpt #: 476 total cpu time spent up to now is 35.2 secs Computing kpt #: 477 total cpu time spent up to now is 35.2 secs Computing kpt #: 478 total cpu time spent up to now is 35.3 secs Computing kpt #: 479 total cpu time spent up to now is 35.3 secs Computing kpt #: 480 total cpu time spent up to now is 35.4 secs Computing kpt #: 481 total cpu time spent up to now is 35.4 secs Computing kpt #: 482 total cpu time spent up to now is 35.5 secs Computing kpt #: 483 total cpu time spent up to now is 35.6 secs ethr = 5.56E-08, avg # of iterations = 8.2 total cpu time spent up to now is 35.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -40.1565 -40.1565 -15.6649 -15.6649 -13.1316 -13.1316 -13.1316 -13.1316 7.1972 7.1972 19.2147 19.2147 19.2147 19.2147 19.3396 19.3396 20.8927 20.8927 20.8927 20.8927 21.2691 21.2691 21.3517 21.3517 21.3517 21.3517 k = 0.0068-0.0039 0.0055 ( 769 PWs) bands (ev): -40.1572 -40.1572 -15.6654 -15.6654 -13.1323 -13.1323 -13.1320 -13.1320 7.1989 7.1989 19.2126 19.2126 19.2129 19.2129 19.3375 19.3375 20.8055 20.8055 20.8932 20.8932 21.2917 21.2917 21.3560 21.3560 21.4207 21.4207 k = 0.0135-0.0078 0.0110 ( 777 PWs) bands (ev): -40.1573 -40.1573 -15.6661 -15.6661 -13.1334 -13.1334 -13.1326 -13.1326 7.2039 7.2039 19.2063 19.2063 19.2073 19.2073 19.3314 19.3314 20.6329 20.6329 20.8951 20.8951 21.3117 21.3117 21.3688 21.3688 21.5871 21.5871 k = 0.0203-0.0117 0.0166 ( 777 PWs) bands (ev): -40.1570 -40.1570 -15.6670 -15.6670 -13.1349 -13.1349 -13.1333 -13.1333 7.2124 7.2124 19.1961 19.1961 19.1981 19.1981 19.3214 19.3214 20.4388 20.4388 20.8981 20.8981 21.3343 21.3343 21.3898 21.3898 21.7811 21.7811 k = 0.0270-0.0156 0.0221 ( 777 PWs) bands (ev): -40.1565 -40.1565 -15.6683 -15.6683 -13.1372 -13.1372 -13.1343 -13.1343 7.2242 7.2242 19.1821 19.1821 19.1855 19.1855 19.3076 19.3076 20.2384 20.2384 20.9024 20.9024 21.3635 21.3635 21.4189 21.4189 21.9834 21.9834 k = 0.0338-0.0195 0.0276 ( 785 PWs) bands (ev): -40.1562 -40.1562 -15.6700 -15.6700 -13.1400 -13.1400 -13.1357 -13.1357 7.2393 7.2393 19.1647 19.1647 19.1695 19.1695 19.2904 19.2904 20.0362 20.0362 20.9078 20.9078 21.3998 21.3998 21.4554 21.4554 22.1886 22.1886 k = 0.0405-0.0234 0.0331 ( 793 PWs) bands (ev): -40.1559 -40.1559 -15.6721 -15.6721 -13.1437 -13.1437 -13.1373 -13.1373 7.2578 7.2578 19.1441 19.1441 19.1503 19.1503 19.2702 19.2702 19.8341 19.8341 20.9146 20.9146 21.4430 21.4430 21.4989 21.4989 22.3947 22.3947 k = 0.0473-0.0273 0.0386 ( 793 PWs) bands (ev): -40.1550 -40.1550 -15.6745 -15.6745 -13.1477 -13.1477 -13.1391 -13.1391 7.2794 7.2794 19.1205 19.1205 19.1281 19.1281 19.2473 19.2473 19.6335 19.6335 20.9226 20.9226 21.4925 21.4925 21.5490 21.5490 22.6006 22.6006 k = 0.0541-0.0312 0.0441 ( 793 PWs) bands (ev): -40.1540 -40.1540 -15.6771 -15.6771 -13.1524 -13.1524 -13.1412 -13.1412 7.3043 7.3043 19.0932 19.0932 19.1031 19.1031 19.2221 19.2221 19.4359 19.4359 20.9318 20.9318 21.5480 21.5480 21.6051 21.6051 22.8057 22.8057 k = 0.0608-0.0351 0.0497 ( 793 PWs) bands (ev): -40.1529 -40.1529 -15.6802 -15.6802 -13.1576 -13.1576 -13.1436 -13.1436 7.3323 7.3323 19.0579 19.0579 19.0754 19.0754 19.1950 19.1950 19.2467 19.2467 20.9422 20.9422 21.6088 21.6088 21.6666 21.6666 23.0095 23.0095 k = 0.0676-0.0390 0.0552 ( 793 PWs) bands (ev): -40.1517 -40.1517 -15.6835 -15.6835 -13.1634 -13.1634 -13.1462 -13.1462 7.3634 7.3634 18.9802 18.9802 19.0451 19.0451 19.1010 19.1010 19.1666 19.1666 20.9539 20.9539 21.6744 21.6744 21.7330 21.7330 23.2115 23.2115 k = 0.0743-0.0429 0.0607 ( 801 PWs) bands (ev): -40.1507 -40.1507 -15.6873 -15.6873 -13.1698 -13.1698 -13.1492 -13.1492 7.3974 7.3974 18.8166 18.8166 19.0122 19.0122 19.0429 19.0429 19.1374 19.1374 20.9668 20.9668 21.7445 21.7445 21.8038 21.8038 23.4114 23.4114 k = 0.0811-0.0468 0.0662 ( 801 PWs) bands (ev): -40.1492 -40.1492 -15.6913 -15.6913 -13.1767 -13.1767 -13.1524 -13.1524 7.4342 7.4342 18.6312 18.6312 18.9767 18.9767 19.0090 19.0090 19.1079 19.1079 20.9809 20.9809 21.8184 21.8184 21.8786 21.8786 23.6089 23.6089 k = 0.0878-0.0507 0.0717 ( 801 PWs) bands (ev): -40.1476 -40.1476 -15.6957 -15.6957 -13.1842 -13.1842 -13.1558 -13.1558 7.4739 7.4739 18.4444 18.4444 18.9385 18.9385 18.9796 18.9796 19.0786 19.0786 20.9962 20.9962 21.8958 21.8958 21.9568 21.9568 23.8037 23.8037 k = 0.0946-0.0546 0.0772 ( 797 PWs) bands (ev): -40.1458 -40.1458 -15.7002 -15.7002 -13.1920 -13.1920 -13.1594 -13.1594 7.5162 7.5162 18.2592 18.2592 18.8976 18.8976 18.9520 18.9520 19.0501 19.0501 21.0126 21.0126 21.9763 21.9763 22.0382 22.0382 23.9955 23.9955 k = 0.1014-0.0585 0.0828 ( 797 PWs) bands (ev): -40.1440 -40.1440 -15.7052 -15.7052 -13.2004 -13.2004 -13.1633 -13.1633 7.5610 7.5610 18.0768 18.0768 18.8541 18.8541 18.9257 18.9257 19.0226 19.0226 21.0302 21.0302 22.0593 22.0593 22.1222 22.1222 24.1841 24.1841 k = 0.1081-0.0624 0.0883 ( 797 PWs) bands (ev): -40.1421 -40.1421 -15.7104 -15.7104 -13.2093 -13.2093 -13.1673 -13.1673 7.6082 7.6082 17.8975 17.8975 18.8081 18.8081 18.9006 18.9006 18.9966 18.9966 21.0489 21.0489 22.1447 22.1447 22.2085 22.2085 24.3691 24.3691 k = 0.1149-0.0663 0.0938 ( 797 PWs) bands (ev): -40.1400 -40.1400 -15.7159 -15.7159 -13.2186 -13.2186 -13.1717 -13.1717 7.6576 7.6576 17.7218 17.7218 18.7596 18.7596 18.8769 18.8769 18.9721 18.9721 21.0687 21.0687 22.2320 22.2320 22.2969 22.2969 24.5505 24.5505 k = 0.1216-0.0702 0.0993 ( 797 PWs) bands (ev): -40.1379 -40.1379 -15.7217 -15.7217 -13.2284 -13.2284 -13.1762 -13.1762 7.7091 7.7091 17.5500 17.5500 18.7090 18.7090 18.8547 18.8547 18.9494 18.9494 21.0896 21.0896 22.3208 22.3208 22.3868 22.3868 24.7281 24.7281 k = 0.1284-0.0741 0.1048 ( 797 PWs) bands (ev): -40.1357 -40.1357 -15.7277 -15.7277 -13.2385 -13.2385 -13.1809 -13.1809 7.7625 7.7625 17.3823 17.3823 18.6564 18.6564 18.8340 18.8340 18.9285 18.9285 21.1116 21.1116 22.4109 22.4109 22.4780 22.4780 24.9016 24.9016 k = 0.1351-0.0780 0.1103 ( 797 PWs) bands (ev): -40.1334 -40.1334 -15.7340 -15.7340 -13.2490 -13.2490 -13.1858 -13.1858 7.8176 7.8176 17.2189 17.2189 18.6021 18.6021 18.8150 18.8150 18.9095 18.9095 21.1345 21.1345 22.5019 22.5019 22.5702 22.5702 25.0710 25.0710 k = 0.1419-0.0819 0.1159 ( 797 PWs) bands (ev): -40.1310 -40.1310 -15.7405 -15.7405 -13.2599 -13.2599 -13.1909 -13.1909 7.8742 7.8742 17.0602 17.0602 18.5462 18.5462 18.7978 18.7978 18.8926 18.8926 21.1585 21.1585 22.5935 22.5935 22.6631 22.6631 25.2362 25.2362 k = 0.1486-0.0858 0.1214 ( 797 PWs) bands (ev): -40.1285 -40.1285 -15.7473 -15.7473 -13.2711 -13.2711 -13.1962 -13.1962 7.9321 7.9321 16.9064 16.9064 18.4889 18.4889 18.7824 18.7824 18.8777 18.8777 21.1834 21.1834 22.6854 22.6854 22.7563 22.7563 25.3970 25.3970 k = 0.1554-0.0897 0.1269 ( 805 PWs) bands (ev): -40.1263 -40.1263 -15.7543 -15.7543 -13.2827 -13.2827 -13.2018 -13.2018 7.9910 7.9910 16.7577 16.7577 18.4305 18.4305 18.7690 18.7690 18.8649 18.8649 21.2092 21.2092 22.7773 22.7773 22.8496 22.8496 25.5535 25.5535 k = 0.1622-0.0936 0.1324 ( 805 PWs) bands (ev): -40.1237 -40.1237 -15.7615 -15.7615 -13.2945 -13.2945 -13.2074 -13.2074 8.0507 8.0507 16.6144 16.6144 18.3710 18.3710 18.7577 18.7577 18.8543 18.8543 21.2360 21.2360 22.8688 22.8688 22.9426 22.9426 25.7056 25.7056 k = 0.1689-0.0975 0.1379 ( 805 PWs) bands (ev): -40.1209 -40.1209 -15.7688 -15.7688 -13.3065 -13.3065 -13.2132 -13.2132 8.1109 8.1109 16.4768 16.4768 18.3108 18.3108 18.7483 18.7483 18.8459 18.8459 21.2636 21.2636 22.9598 22.9598 23.0350 23.0350 25.8533 25.8533 k = 0.1757-0.1014 0.1434 ( 801 PWs) bands (ev): -40.1180 -40.1180 -15.7763 -15.7763 -13.3188 -13.3188 -13.2190 -13.2190 8.1714 8.1714 16.3452 16.3452 18.2499 18.2499 18.7412 18.7412 18.8396 18.8396 21.2920 21.2920 23.0498 23.0498 23.1267 23.1267 25.9967 25.9967 k = 0.1824-0.1053 0.1490 ( 801 PWs) bands (ev): -40.1152 -40.1152 -15.7840 -15.7840 -13.3312 -13.3312 -13.2250 -13.2250 8.2319 8.2319 16.2198 16.2198 18.1884 18.1884 18.7361 18.7361 18.8357 18.8357 21.3212 21.3212 23.1387 23.1387 23.2171 23.2171 26.1358 26.1358 k = 0.1892-0.1092 0.1545 ( 801 PWs) bands (ev): -40.1123 -40.1123 -15.7918 -15.7918 -13.3439 -13.3439 -13.2311 -13.2311 8.2920 8.2920 16.1009 16.1009 18.1266 18.1266 18.7333 18.7333 18.8340 18.8340 21.3511 21.3511 23.2260 23.2260 23.3061 23.3061 26.2706 26.2706 k = 0.1959-0.1131 0.1600 ( 801 PWs) bands (ev): -40.1093 -40.1093 -15.7998 -15.7998 -13.3567 -13.3567 -13.2373 -13.2373 8.3514 8.3514 15.9889 15.9889 18.0646 18.0646 18.7326 18.7326 18.8345 18.8345 21.3817 21.3817 23.3114 23.3114 23.3934 23.3934 26.4013 26.4013 k = 0.2027-0.1170 0.1655 ( 801 PWs) bands (ev): -40.1063 -40.1063 -15.8079 -15.8079 -13.3696 -13.3696 -13.2437 -13.2437 8.4098 8.4098 15.8840 15.8840 18.0025 18.0025 18.7342 18.7342 18.8373 18.8373 21.4130 21.4130 23.3948 23.3948 23.4786 23.4786 26.5279 26.5279 k = 0.2095-0.1209 0.1710 ( 801 PWs) bands (ev): -40.1033 -40.1033 -15.8161 -15.8161 -13.3826 -13.3826 -13.2500 -13.2500 8.4669 8.4669 15.7865 15.7865 17.9404 17.9404 18.7380 18.7380 18.8425 18.8425 21.4448 21.4448 23.4758 23.4758 23.5614 23.5614 26.6505 26.6505 k = 0.2162-0.1248 0.1765 ( 801 PWs) bands (ev): -40.1003 -40.1003 -15.8244 -15.8244 -13.3957 -13.3957 -13.2565 -13.2565 8.5223 8.5223 15.6966 15.6966 17.8784 17.8784 18.7440 18.7440 18.8498 18.8498 21.4773 21.4773 23.5540 23.5540 23.6416 23.6416 26.7692 26.7692 k = 0.2230-0.1287 0.1821 ( 809 PWs) bands (ev): -40.0975 -40.0975 -15.8328 -15.8328 -13.4090 -13.4090 -13.2631 -13.2631 8.5757 8.5757 15.6148 15.6148 17.8168 17.8168 18.7522 18.7522 18.8595 18.8595 21.5102 21.5102 23.6292 23.6292 23.7188 23.7188 26.8841 26.8841 k = 0.2297-0.1326 0.1876 ( 809 PWs) bands (ev): -40.0944 -40.0944 -15.8413 -15.8413 -13.4222 -13.4222 -13.2697 -13.2697 8.6267 8.6267 15.5413 15.5413 17.7554 17.7554 18.7626 18.7626 18.8714 18.8714 21.5436 21.5436 23.7012 23.7012 23.7929 23.7929 26.9953 26.9953 k = 0.2365-0.1365 0.1931 ( 817 PWs) bands (ev): -40.0916 -40.0916 -15.8498 -15.8498 -13.4355 -13.4355 -13.2763 -13.2763 8.6750 8.6750 15.4762 15.4762 17.6946 17.6946 18.7752 18.7752 18.8855 18.8855 21.5774 21.5774 23.7697 23.7697 23.8634 23.8634 27.1027 27.1027 k = 0.2432-0.1404 0.1986 ( 817 PWs) bands (ev): -40.0884 -40.0884 -15.8583 -15.8583 -13.4486 -13.4486 -13.2829 -13.2829 8.7204 8.7204 15.4199 15.4199 17.6343 17.6343 18.7900 18.7900 18.9018 18.9018 21.6115 21.6115 23.8344 23.8344 23.9302 23.9302 27.2066 27.2066 k = 0.2500-0.1443 0.2041 ( 817 PWs) bands (ev): -40.0853 -40.0853 -15.8668 -15.8668 -13.4617 -13.4617 -13.2895 -13.2895 8.7626 8.7626 15.3724 15.3724 17.5747 17.5747 18.8069 18.8069 18.9202 18.9202 21.6459 21.6459 23.8950 23.8950 23.9930 23.9930 27.3069 27.3069 k = 0.2568-0.1482 0.2096 ( 817 PWs) bands (ev): -40.0821 -40.0821 -15.8753 -15.8753 -13.4748 -13.4748 -13.2961 -13.2961 8.8012 8.8012 15.3341 15.3341 17.5158 17.5158 18.8259 18.8259 18.9408 18.9408 21.6805 21.6805 23.9514 23.9514 24.0516 24.0516 27.4036 27.4036 k = 0.2635-0.1521 0.2152 ( 817 PWs) bands (ev): -40.0789 -40.0789 -15.8838 -15.8838 -13.4877 -13.4877 -13.3027 -13.3027 8.8361 8.8361 15.3049 15.3049 17.4578 17.4578 18.8470 18.8470 18.9634 18.9634 21.7153 21.7153 24.0034 24.0034 24.1058 24.1058 27.4967 27.4967 k = 0.2703-0.1560 0.2207 ( 817 PWs) bands (ev): -40.0758 -40.0758 -15.8922 -15.8922 -13.5005 -13.5005 -13.3093 -13.3093 8.8672 8.8672 15.2850 15.2850 17.4006 17.4006 18.8701 18.8701 18.9881 18.9881 21.7502 21.7502 24.0507 24.0507 24.1553 24.1553 27.5863 27.5863 k = 0.2770-0.1599 0.2262 ( 801 PWs) bands (ev): -40.0720 -40.0720 -15.9003 -15.9003 -13.5129 -13.5129 -13.3157 -13.3157 8.8942 8.8942 15.2742 15.2742 17.3444 17.3444 18.8951 18.8951 19.0148 19.0148 21.7852 21.7852 24.0933 24.0933 24.2001 24.2001 27.6721 27.6721 k = 0.2838-0.1638 0.2317 ( 801 PWs) bands (ev): -40.0689 -40.0689 -15.9087 -15.9087 -13.5255 -13.5255 -13.3222 -13.3222 8.9172 8.9172 15.2726 15.2726 17.2893 17.2893 18.9220 18.9220 19.0434 19.0434 21.8201 21.8201 24.1310 24.1310 24.2400 24.2400 27.7542 27.7542 k = 0.2905-0.1677 0.2372 ( 801 PWs) bands (ev): -40.0658 -40.0658 -15.9169 -15.9169 -13.5378 -13.5378 -13.3286 -13.3286 8.9361 8.9361 15.2800 15.2800 17.2353 17.2353 18.9508 18.9508 19.0738 19.0738 21.8549 21.8549 24.1638 24.1638 24.2749 24.2749 27.8323 27.8323 k = 0.2973-0.1716 0.2427 ( 801 PWs) bands (ev): -40.0628 -40.0628 -15.9251 -15.9251 -13.5500 -13.5500 -13.3350 -13.3350 8.9509 8.9509 15.2962 15.2962 17.1825 17.1825 18.9813 18.9813 19.1059 19.1059 21.8896 21.8896 24.1915 24.1915 24.3047 24.3047 27.9064 27.9064 k = 0.3041-0.1755 0.2483 ( 801 PWs) bands (ev): -40.0598 -40.0598 -15.9331 -15.9331 -13.5619 -13.5619 -13.3412 -13.3412 8.9618 8.9618 15.3208 15.3208 17.1309 17.1309 19.0135 19.0135 19.1398 19.1398 21.9241 21.9241 24.2142 24.2142 24.3295 24.3295 27.9761 27.9761 k = 0.3108-0.1794 0.2538 ( 801 PWs) bands (ev): -40.0568 -40.0568 -15.9410 -15.9410 -13.5736 -13.5736 -13.3474 -13.3474 8.9688 8.9688 15.3537 15.3537 17.0806 17.0806 19.0472 19.0472 19.1752 19.1752 21.9583 21.9583 24.2320 24.2320 24.3492 24.3492 28.0413 28.0413 k = 0.3176-0.1833 0.2593 ( 801 PWs) bands (ev): -40.0539 -40.0539 -15.9488 -15.9488 -13.5850 -13.5850 -13.3534 -13.3534 8.9723 8.9723 15.3943 15.3943 17.0317 17.0317 19.0825 19.0825 19.2122 19.2122 21.9921 21.9921 24.2448 24.2448 24.3640 24.3640 28.1017 28.1017 k = 0.3243-0.1872 0.2648 ( 801 PWs) bands (ev): -40.0510 -40.0510 -15.9565 -15.9565 -13.5962 -13.5962 -13.3594 -13.3594 8.9723 8.9723 15.4422 15.4422 16.9841 16.9841 19.1191 19.1191 19.2505 19.2505 22.0255 22.0255 24.2527 24.2527 24.3738 24.3738 28.1570 28.1570 k = 0.3311-0.1911 0.2703 ( 797 PWs) bands (ev): -40.0481 -40.0481 -15.9639 -15.9639 -13.6070 -13.6070 -13.3652 -13.3652 8.9692 8.9692 15.4969 15.4969 16.9381 16.9381 19.1571 19.1571 19.2901 19.2901 22.0584 22.0584 24.2560 24.2560 24.3788 24.3788 28.2067 28.2067 k = 0.3378-0.1951 0.2758 ( 797 PWs) bands (ev): -40.0453 -40.0453 -15.9711 -15.9711 -13.6176 -13.6176 -13.3709 -13.3709 8.9632 8.9632 15.5579 15.5579 16.8934 16.8934 19.1961 19.1961 19.3308 19.3308 22.0907 22.0907 24.2548 24.2548 24.3793 24.3793 28.2506 28.2506 k = 0.3446-0.1990 0.2814 ( 797 PWs) bands (ev): -40.0427 -40.0427 -15.9782 -15.9782 -13.6279 -13.6279 -13.3764 -13.3764 8.9546 8.9546 15.6245 15.6245 16.8504 16.8504 19.2362 19.2362 19.3725 19.3725 22.1224 22.1224 24.2492 24.2492 24.3753 24.3753 28.2881 28.2881 k = 0.3514-0.2029 0.2869 ( 801 PWs) bands (ev): -40.0402 -40.0402 -15.9852 -15.9852 -13.6379 -13.6379 -13.3818 -13.3818 8.9438 8.9438 15.6962 15.6962 16.8089 16.8089 19.2771 19.2771 19.4151 19.4151 22.1534 22.1534 24.2397 24.2397 24.3672 24.3672 28.3191 28.3191 k = 0.3581-0.2068 0.2924 ( 801 PWs) bands (ev): -40.0377 -40.0377 -15.9919 -15.9919 -13.6475 -13.6475 -13.3870 -13.3870 8.9311 8.9311 15.7722 15.7722 16.7690 16.7690 19.3187 19.3187 19.4584 19.4584 22.1836 22.1836 24.2263 24.2263 24.3552 24.3552 28.3429 28.3429 k = 0.3649-0.2107 0.2979 ( 801 PWs) bands (ev): -40.0353 -40.0353 -15.9983 -15.9983 -13.6567 -13.6567 -13.3920 -13.3920 8.9167 8.9167 15.8520 15.8520 16.7307 16.7307 19.3609 19.3609 19.5021 19.5021 22.2129 22.2129 24.2095 24.2095 24.3396 24.3396 28.3595 28.3595 k = 0.3716-0.2146 0.3034 ( 789 PWs) bands (ev): -40.0325 -40.0325 -16.0043 -16.0043 -13.6654 -13.6654 -13.3967 -13.3967 8.9010 8.9010 15.9347 15.9347 16.6942 16.6942 19.4035 19.4035 19.5463 19.5463 22.2413 22.2413 24.1896 24.1896 24.3208 24.3208 28.3684 28.3684 k = 0.3784-0.2185 0.3089 ( 789 PWs) bands (ev): -40.0302 -40.0302 -16.0103 -16.0103 -13.6739 -13.6739 -13.4013 -13.4013 8.8843 8.8843 16.0197 16.0197 16.6593 16.6593 19.4462 19.4462 19.5906 19.5906 22.2687 22.2687 24.1669 24.1669 24.2992 24.2992 28.3696 28.3696 k = 0.3851-0.2224 0.3145 ( 789 PWs) bands (ev): -40.0281 -40.0281 -16.0160 -16.0160 -13.6819 -13.6819 -13.4058 -13.4058 8.8669 8.8669 16.1063 16.1063 16.6261 16.6261 19.4888 19.4888 19.6347 19.6347 22.2951 22.2951 24.1419 24.1419 24.2750 24.2750 28.3630 28.3630 k = 0.3919-0.2263 0.3200 ( 789 PWs) bands (ev): -40.0260 -40.0260 -16.0214 -16.0214 -13.6896 -13.6896 -13.4100 -13.4100 8.8491 8.8491 16.1936 16.1936 16.5948 16.5948 19.5312 19.5312 19.6786 19.6786 22.3203 22.3203 24.1148 24.1148 24.2487 24.2487 28.3489 28.3489 k = 0.3986-0.2302 0.3255 ( 789 PWs) bands (ev): -40.0241 -40.0241 -16.0266 -16.0266 -13.6969 -13.6969 -13.4140 -13.4140 8.8310 8.8310 16.2810 16.2810 16.5652 16.5652 19.5731 19.5731 19.7220 19.7220 22.3443 22.3443 24.0863 24.0863 24.2208 24.2208 28.3275 28.3275 k = 0.4054-0.2341 0.3310 ( 789 PWs) bands (ev): -40.0222 -40.0222 -16.0315 -16.0315 -13.7037 -13.7037 -13.4178 -13.4178 8.8131 8.8131 16.3677 16.3677 16.5374 16.5374 19.6142 19.6142 19.7645 19.7645 22.3671 22.3671 24.0566 24.0566 24.1917 24.1917 28.2996 28.2996 k = 0.4122-0.2380 0.3365 ( 789 PWs) bands (ev): -40.0205 -40.0205 -16.0360 -16.0360 -13.7101 -13.7101 -13.4213 -13.4213 8.7954 8.7954 16.4529 16.4529 16.5115 16.5115 19.6543 19.6543 19.8060 19.8060 22.3886 22.3886 24.0263 24.0263 24.1618 24.1618 28.2659 28.2659 k = 0.4189-0.2419 0.3420 ( 789 PWs) bands (ev): -40.0189 -40.0189 -16.0403 -16.0403 -13.7161 -13.7161 -13.4246 -13.4246 8.7783 8.7783 16.4873 16.4873 16.5358 16.5358 19.6931 19.6931 19.8461 19.8461 22.4087 22.4087 23.9957 23.9957 24.1316 24.1316 28.2273 28.2273 k = 0.4257-0.2458 0.3476 ( 785 PWs) bands (ev): -40.0172 -40.0172 -16.0442 -16.0442 -13.7215 -13.7215 -13.4277 -13.4277 8.7618 8.7618 16.4651 16.4651 16.6157 16.6157 19.7303 19.7303 19.8846 19.8846 22.4274 22.4274 23.9655 23.9655 24.1016 24.1016 28.1851 28.1851 k = 0.4324-0.2497 0.3531 ( 785 PWs) bands (ev): -40.0159 -40.0159 -16.0478 -16.0478 -13.7266 -13.7266 -13.4305 -13.4305 8.7462 8.7462 16.4447 16.4447 16.6918 16.6918 19.7657 19.7657 19.9211 19.9211 22.4447 22.4447 23.9359 23.9359 24.0722 24.0722 28.1405 28.1405 k = 0.4392-0.2536 0.3586 ( 789 PWs) bands (ev): -40.0148 -40.0148 -16.0512 -16.0512 -13.7312 -13.7312 -13.4331 -13.4331 8.7316 8.7316 16.4263 16.4263 16.7634 16.7634 19.7988 19.7988 19.9553 19.9553 22.4604 22.4604 23.9075 23.9075 24.0439 24.0439 28.0948 28.0948 k = 0.4459-0.2575 0.3641 ( 785 PWs) bands (ev): -40.0135 -40.0135 -16.0541 -16.0541 -13.7353 -13.7353 -13.4354 -13.4354 8.7182 8.7182 16.4097 16.4097 16.8297 16.8297 19.8295 19.8295 19.9870 19.9870 22.4746 22.4746 23.8806 23.8806 24.0172 24.0172 28.0494 28.0494 k = 0.4527-0.2614 0.3696 ( 786 PWs) bands (ev): -40.0125 -40.0125 -16.0567 -16.0567 -13.7389 -13.7389 -13.4374 -13.4374 8.7061 8.7061 16.3951 16.3951 16.8900 16.8900 19.8574 19.8574 20.0158 20.0158 22.4872 22.4872 23.8558 23.8558 23.9924 23.9924 28.0056 28.0056 k = 0.4595-0.2653 0.3751 ( 786 PWs) bands (ev): -40.0117 -40.0117 -16.0590 -16.0590 -13.7421 -13.7421 -13.4392 -13.4392 8.6954 8.6954 16.3824 16.3824 16.9438 16.9438 19.8823 19.8823 20.0415 20.0415 22.4981 22.4981 23.8334 23.8334 23.9700 23.9700 27.9648 27.9648 k = 0.4662-0.2692 0.3807 ( 786 PWs) bands (ev): -40.0109 -40.0109 -16.0609 -16.0609 -13.7448 -13.7448 -13.4407 -13.4407 8.6862 8.6862 16.3716 16.3716 16.9904 16.9904 19.9038 19.9038 20.0638 20.0638 22.5075 22.5075 23.8138 23.8138 23.9504 23.9504 27.9281 27.9281 k = 0.4730-0.2731 0.3862 ( 790 PWs) bands (ev): -40.0105 -40.0105 -16.0626 -16.0626 -13.7471 -13.7471 -13.4420 -13.4420 8.6786 8.6786 16.3628 16.3628 17.0293 17.0293 19.9218 19.9218 20.0824 20.0824 22.5151 22.5151 23.7972 23.7972 23.9338 23.9338 27.8965 27.8965 k = 0.4797-0.2770 0.3917 ( 790 PWs) bands (ev): -40.0100 -40.0100 -16.0638 -16.0638 -13.7488 -13.7488 -13.4430 -13.4430 8.6726 8.6726 16.3560 16.3560 17.0601 17.0601 19.9361 19.9361 20.0970 20.0970 22.5211 22.5211 23.7841 23.7841 23.9206 23.9206 27.8710 27.8710 k = 0.4865-0.2809 0.3972 ( 790 PWs) bands (ev): -40.0097 -40.0097 -16.0647 -16.0647 -13.7500 -13.7500 -13.4436 -13.4436 8.6683 8.6683 16.3511 16.3511 17.0823 17.0823 19.9463 19.9463 20.1077 20.1077 22.5254 22.5254 23.7745 23.7745 23.9110 23.9110 27.8523 27.8523 k = 0.4932-0.2848 0.4027 ( 790 PWs) bands (ev): -40.0095 -40.0095 -16.0653 -16.0653 -13.7508 -13.7508 -13.4441 -13.4441 8.6656 8.6656 16.3481 16.3481 17.0957 17.0957 19.9526 19.9526 20.1141 20.1141 22.5280 22.5280 23.7687 23.7687 23.9052 23.9052 27.8408 27.8408 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -40.0094 -40.0094 -16.0654 -16.0654 -13.7510 -13.7510 -13.4442 -13.4442 8.6648 8.6648 16.3471 16.3471 17.1002 17.1002 19.9547 19.9547 20.1162 20.1162 22.5288 22.5288 23.7667 23.7667 23.9032 23.9032 27.8370 27.8370 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -40.0094 -40.0094 -16.0654 -16.0654 -13.7510 -13.7510 -13.4442 -13.4442 8.6648 8.6648 16.3471 16.3471 17.1002 17.1002 19.9547 19.9547 20.1162 20.1162 22.5288 22.5288 23.7667 23.7667 23.9032 23.9032 27.8370 27.8370 k = 0.5000-0.2809 0.4138 ( 790 PWs) bands (ev): -40.0094 -40.0094 -16.0654 -16.0654 -13.7509 -13.7509 -13.4443 -13.4443 8.6661 8.6661 16.3466 16.3466 17.0993 17.0993 19.9482 19.9482 20.1105 20.1105 22.5431 22.5431 23.7667 23.7667 23.9032 23.9032 27.8361 27.8361 k = 0.5000-0.2731 0.4193 ( 790 PWs) bands (ev): -40.0094 -40.0094 -16.0654 -16.0654 -13.7507 -13.7507 -13.4447 -13.4447 8.6702 8.6702 16.3449 16.3449 17.0964 17.0964 19.9240 19.9240 20.0992 20.0992 22.5848 22.5848 23.7668 23.7668 23.9033 23.9033 27.8333 27.8333 k = 0.5000-0.2653 0.4248 ( 790 PWs) bands (ev): -40.0094 -40.0094 -16.0653 -16.0653 -13.7503 -13.7503 -13.4453 -13.4453 8.6769 8.6769 16.3423 16.3423 17.0915 17.0915 19.8725 19.8725 20.0948 20.0948 22.6510 22.6510 23.7668 23.7668 23.9034 23.9034 27.8287 27.8287 k = 0.5000-0.2575 0.4303 ( 788 PWs) bands (ev): -40.0093 -40.0093 -16.0651 -16.0651 -13.7498 -13.7498 -13.4462 -13.4462 8.6863 8.6863 16.3386 16.3386 17.0848 17.0848 19.7920 19.7920 20.1029 20.1029 22.7378 22.7378 23.7668 23.7668 23.9036 23.9036 27.8222 27.8222 k = 0.5000-0.2497 0.4358 ( 788 PWs) bands (ev): -40.0093 -40.0093 -16.0650 -16.0650 -13.7491 -13.7491 -13.4473 -13.4473 8.6983 8.6983 16.3340 16.3340 17.0762 17.0762 19.6883 19.6883 20.1217 20.1217 22.8409 22.8409 23.7667 23.7667 23.9038 23.9038 27.8138 27.8138 k = 0.5000-0.2419 0.4413 ( 788 PWs) bands (ev): -40.0093 -40.0093 -16.0648 -16.0648 -13.7483 -13.7483 -13.4487 -13.4487 8.7128 8.7128 16.3286 16.3286 17.0658 17.0658 19.5676 19.5676 20.1488 20.1488 22.9564 22.9564 23.7665 23.7665 23.9039 23.9039 27.8036 27.8036 k = 0.5000-0.2341 0.4469 ( 788 PWs) bands (ev): -40.0093 -40.0093 -16.0646 -16.0646 -13.7474 -13.7474 -13.4503 -13.4503 8.7299 8.7299 16.3224 16.3224 17.0536 17.0536 19.4345 19.4345 20.1828 20.1828 23.0810 23.0810 23.7661 23.7661 23.9042 23.9042 27.7914 27.7914 k = 0.5000-0.2263 0.4524 ( 788 PWs) bands (ev): -40.0093 -40.0093 -16.0644 -16.0644 -13.7463 -13.7463 -13.4521 -13.4521 8.7494 8.7494 16.3156 16.3156 17.0398 17.0398 19.2925 19.2925 20.2229 20.2229 23.2116 23.2116 23.7653 23.7653 23.9046 23.9046 27.7773 27.7773 k = 0.5000-0.2185 0.4579 ( 784 PWs) bands (ev): -40.0091 -40.0091 -16.0640 -16.0640 -13.7450 -13.7450 -13.4541 -13.4541 8.7713 8.7713 16.3084 16.3084 17.0244 17.0244 19.1442 19.1442 20.2684 20.2684 23.3458 23.3458 23.7641 23.7641 23.9055 23.9055 27.7612 27.7612 k = 0.5000-0.2107 0.4634 ( 784 PWs) bands (ev): -40.0091 -40.0091 -16.0637 -16.0637 -13.7436 -13.7436 -13.4563 -13.4563 8.7954 8.7954 16.3008 16.3008 17.0074 17.0074 18.9915 18.9915 20.3191 20.3191 23.4809 23.4809 23.7623 23.7623 23.9076 23.9076 27.7432 27.7432 k = 0.5000-0.2029 0.4689 ( 780 PWs) bands (ev): -40.0090 -40.0090 -16.0634 -16.0634 -13.7421 -13.7421 -13.4588 -13.4588 8.8218 8.8218 16.2930 16.2930 16.9891 16.9891 18.8361 18.8361 20.3745 20.3745 23.6134 23.6134 23.7598 23.7598 23.9132 23.9132 27.7232 27.7232 k = 0.5000-0.1951 0.4745 ( 776 PWs) bands (ev): -40.0088 -40.0088 -16.0630 -16.0630 -13.7404 -13.7404 -13.4614 -13.4614 8.8502 8.8502 16.2852 16.2852 16.9694 16.9694 18.6792 18.6792 20.4345 20.4345 23.7328 23.7328 23.7575 23.7575 23.9305 23.9305 27.7011 27.7011 k = 0.5000-0.1872 0.4800 ( 780 PWs) bands (ev): -40.0089 -40.0089 -16.0627 -16.0627 -13.7387 -13.7387 -13.4643 -13.4643 8.8804 8.8804 16.2773 16.2773 16.9484 16.9484 18.5217 18.5217 20.4987 20.4987 23.7507 23.7507 23.8166 23.8166 23.9855 23.9855 27.6771 27.6771 k = 0.5000-0.1794 0.4855 ( 782 PWs) bands (ev): -40.0090 -40.0090 -16.0623 -16.0623 -13.7368 -13.7368 -13.4673 -13.4673 8.9125 8.9125 16.2697 16.2697 16.9264 16.9264 18.3648 18.3648 20.5669 20.5669 23.7445 23.7445 23.8464 23.8464 24.0908 24.0908 27.6510 27.6510 k = 0.5000-0.1716 0.4910 ( 782 PWs) bands (ev): -40.0090 -40.0090 -16.0620 -16.0620 -13.7348 -13.7348 -13.4705 -13.4705 8.9461 8.9461 16.2624 16.2624 16.9033 16.9033 18.2091 18.2091 20.6388 20.6388 23.7361 23.7361 23.8544 23.8544 24.2159 24.2159 27.6229 27.6229 k = 0.5000-0.1638 0.4965 ( 782 PWs) bands (ev): -40.0090 -40.0090 -16.0616 -16.0616 -13.7327 -13.7327 -13.4738 -13.4738 8.9812 8.9812 16.2555 16.2555 16.8794 16.8794 18.0552 18.0552 20.7141 20.7141 23.7254 23.7254 23.8559 23.8559 24.3452 24.3452 27.5928 27.5928 k = 0.5000-0.1560 0.5020 ( 778 PWs) bands (ev): -40.0088 -40.0088 -16.0611 -16.0611 -13.7305 -13.7305 -13.4772 -13.4772 9.0176 9.0176 16.2492 16.2492 16.8547 16.8547 17.9039 17.9039 20.7927 20.7927 23.7118 23.7118 23.8551 23.8551 24.4742 24.4742 27.5607 27.5607 k = 0.5000-0.1482 0.5076 ( 778 PWs) bands (ev): -40.0088 -40.0088 -16.0607 -16.0607 -13.7282 -13.7282 -13.4807 -13.4807 9.0550 9.0550 16.2435 16.2435 16.8293 16.8293 17.7558 17.7558 20.8743 20.8743 23.6951 23.6951 23.8533 23.8533 24.6016 24.6016 27.5266 27.5266 k = 0.5000-0.1404 0.5131 ( 778 PWs) bands (ev): -40.0088 -40.0088 -16.0603 -16.0603 -13.7258 -13.7258 -13.4843 -13.4843 9.0931 9.0931 16.2385 16.2385 16.8033 16.8033 17.6113 17.6113 20.9586 20.9586 23.6750 23.6750 23.8514 23.8514 24.7265 24.7265 27.4905 27.4905 k = 0.5000-0.1326 0.5186 ( 778 PWs) bands (ev): -40.0088 -40.0088 -16.0599 -16.0599 -13.7233 -13.7233 -13.4880 -13.4880 9.1319 9.1319 16.2344 16.2344 16.7769 16.7769 17.4710 17.4710 21.0454 21.0454 23.6511 23.6511 23.8495 23.8495 24.8484 24.8484 27.4525 27.4525 k = 0.5000-0.1248 0.5241 ( 778 PWs) bands (ev): -40.0088 -40.0088 -16.0595 -16.0595 -13.7208 -13.7208 -13.4917 -13.4917 9.1709 9.1709 16.2311 16.2311 16.7500 16.7500 17.3355 17.3355 21.1343 21.1343 23.6234 23.6234 23.8477 23.8477 24.9673 24.9673 27.4125 27.4125 k = 0.5000-0.1170 0.5296 ( 778 PWs) bands (ev): -40.0088 -40.0088 -16.0591 -16.0591 -13.7183 -13.7183 -13.4955 -13.4955 9.2099 9.2099 16.2289 16.2289 16.7229 16.7229 17.2053 17.2053 21.2253 21.2253 23.5916 23.5916 23.8462 23.8462 25.0829 25.0829 27.3706 27.3706 k = 0.5000-0.1092 0.5351 ( 778 PWs) bands (ev): -40.0088 -40.0088 -16.0587 -16.0587 -13.7157 -13.7157 -13.4992 -13.4992 9.2487 9.2487 16.2276 16.2276 16.6953 16.6953 17.0811 17.0811 21.3179 21.3179 23.5558 23.5558 23.8450 23.8450 25.1953 25.1953 27.3268 27.3268 k = 0.5000-0.1014 0.5407 ( 782 PWs) bands (ev): -40.0090 -40.0090 -16.0584 -16.0584 -13.7132 -13.7132 -13.5029 -13.5029 9.2869 9.2869 16.2273 16.2273 16.6671 16.6671 16.9636 16.9636 21.4120 21.4120 23.5158 23.5158 23.8440 23.8440 25.3042 25.3042 27.2813 27.2813 k = 0.5000-0.0936 0.5462 ( 782 PWs) bands (ev): -40.0090 -40.0090 -16.0581 -16.0581 -13.7107 -13.7107 -13.5066 -13.5066 9.3241 9.3241 16.2281 16.2281 16.6379 16.6379 16.8539 16.8539 21.5072 21.5072 23.4717 23.4717 23.8431 23.8431 25.4098 25.4098 27.2339 27.2339 k = 0.5000-0.0858 0.5517 ( 778 PWs) bands (ev): -40.0088 -40.0088 -16.0577 -16.0577 -13.7081 -13.7081 -13.5100 -13.5100 9.3602 9.3602 16.2300 16.2300 16.6058 16.6058 16.7545 16.7545 21.6034 21.6034 23.4234 23.4234 23.8425 23.8425 25.5120 25.5120 27.1849 27.1849 k = 0.5000-0.0780 0.5572 ( 774 PWs) bands (ev): -40.0086 -40.0086 -16.0573 -16.0573 -13.7056 -13.7056 -13.5133 -13.5133 9.3946 9.3946 16.2329 16.2329 16.5657 16.5657 16.6709 16.6709 21.7003 21.7003 23.3711 23.3711 23.8420 23.8420 25.6108 25.6108 27.1342 27.1342 k = 0.5000-0.0702 0.5627 ( 772 PWs) bands (ev): -40.0085 -40.0085 -16.0570 -16.0570 -13.7032 -13.7032 -13.5166 -13.5166 9.4271 9.4271 16.2369 16.2369 16.5097 16.5097 16.6118 16.6118 21.7976 21.7976 23.3147 23.3147 23.8416 23.8416 25.7062 25.7062 27.0819 27.0819 k = 0.5000-0.0624 0.5682 ( 778 PWs) bands (ev): -40.0088 -40.0088 -16.0568 -16.0568 -13.7011 -13.7011 -13.5197 -13.5197 9.4574 9.4574 16.2418 16.2418 16.4418 16.4418 16.5737 16.5737 21.8949 21.8949 23.2543 23.2543 23.8413 23.8413 25.7982 25.7982 27.0282 27.0282 k = 0.5000-0.0546 0.5738 ( 780 PWs) bands (ev): -40.0089 -40.0089 -16.0566 -16.0566 -13.6990 -13.6990 -13.5226 -13.5226 9.4850 9.4850 16.2476 16.2476 16.3742 16.3742 16.5450 16.5450 21.9922 21.9922 23.1901 23.1901 23.8410 23.8410 25.8867 25.8867 26.9733 26.9733 k = 0.5000-0.0468 0.5793 ( 780 PWs) bands (ev): -40.0089 -40.0089 -16.0564 -16.0564 -13.6971 -13.6971 -13.5252 -13.5252 9.5097 9.5097 16.2540 16.2540 16.3124 16.3124 16.5209 16.5209 22.0890 22.0890 23.1222 23.1222 23.8408 23.8408 25.9714 25.9714 26.9175 26.9175 k = 0.5000-0.0390 0.5848 ( 780 PWs) bands (ev): -40.0089 -40.0089 -16.0562 -16.0562 -13.6954 -13.6954 -13.5274 -13.5274 9.5311 9.5311 16.2569 16.2569 16.2627 16.2627 16.4997 16.4997 22.1852 22.1852 23.0507 23.0507 23.8407 23.8407 26.0520 26.0520 26.8612 26.8612 k = 0.5000-0.0312 0.5903 ( 780 PWs) bands (ev): -40.0089 -40.0089 -16.0561 -16.0561 -13.6940 -13.6940 -13.5293 -13.5293 9.5491 9.5491 16.2134 16.2134 16.2683 16.2683 16.4813 16.4813 22.2804 22.2804 22.9758 22.9758 23.8406 23.8406 26.1276 26.1276 26.8054 26.8054 k = 0.5000-0.0234 0.5958 ( 780 PWs) bands (ev): -40.0089 -40.0089 -16.0559 -16.0559 -13.6928 -13.6928 -13.5308 -13.5308 9.5633 9.5633 16.1781 16.1781 16.2750 16.2750 16.4659 16.4659 22.3743 22.3743 22.8977 22.8977 23.8405 23.8405 26.1966 26.1966 26.7517 26.7517 k = 0.5000-0.0156 0.6013 ( 772 PWs) bands (ev): -40.0085 -40.0085 -16.0557 -16.0557 -13.6919 -13.6919 -13.5317 -13.5317 9.5736 9.5736 16.1526 16.1526 16.2807 16.2807 16.4541 16.4541 22.4668 22.4668 22.8166 22.8166 23.8405 23.8405 26.2558 26.2558 26.7034 26.7034 k = 0.5000-0.0078 0.6069 ( 772 PWs) bands (ev): -40.0085 -40.0085 -16.0557 -16.0557 -13.6914 -13.6914 -13.5324 -13.5324 9.5799 9.5799 16.1373 16.1373 16.2846 16.2846 16.4465 16.4465 22.5575 22.5575 22.7328 22.7328 23.8405 23.8405 26.2986 26.2986 26.6671 26.6671 k = 0.5000 0.0000 0.6124 ( 772 PWs) bands (ev): -40.0085 -40.0085 -16.0557 -16.0557 -13.6912 -13.6912 -13.5326 -13.5326 9.5820 9.5820 16.1321 16.1321 16.2860 16.2860 16.4439 16.4439 22.6418 22.6418 22.6508 22.6508 23.8405 23.8405 26.3149 26.3149 26.6530 26.6530 k = 0.5000 0.0000 0.6124 ( 772 PWs) bands (ev): -40.0085 -40.0085 -16.0557 -16.0557 -13.6912 -13.6912 -13.5326 -13.5326 9.5820 9.5820 16.1321 16.1321 16.2860 16.2860 16.4439 16.4439 22.6418 22.6418 22.6508 22.6508 23.8405 23.8405 26.3149 26.3149 26.6530 26.6530 k = 0.4952 0.0083 0.6124 ( 772 PWs) bands (ev): -40.0085 -40.0085 -16.0556 -16.0556 -13.6914 -13.6914 -13.5323 -13.5323 9.5815 9.5815 16.1258 16.1258 16.2905 16.2905 16.4471 16.4471 22.5817 22.5817 22.7067 22.7067 23.8420 23.8420 26.3098 26.3098 26.6613 26.6613 k = 0.4904 0.0167 0.6124 ( 777 PWs) bands (ev): -40.0088 -40.0088 -16.0556 -16.0556 -13.6919 -13.6919 -13.5316 -13.5316 9.5803 9.5803 16.1075 16.1075 16.3046 16.3046 16.4558 16.4558 22.5131 22.5131 22.7624 22.7624 23.8470 23.8470 26.2987 26.2987 26.6821 26.6821 k = 0.4856 0.0250 0.6124 ( 777 PWs) bands (ev): -40.0089 -40.0089 -16.0556 -16.0556 -13.6926 -13.6926 -13.5302 -13.5302 9.5782 9.5782 16.0806 16.0806 16.3259 16.3259 16.4690 16.4690 22.4400 22.4400 22.8135 22.8135 23.8554 23.8554 26.2869 26.2869 26.7103 26.7103 k = 0.4808 0.0333 0.6124 ( 777 PWs) bands (ev): -40.0090 -40.0090 -16.0554 -16.0554 -13.6937 -13.6937 -13.5283 -13.5283 9.5754 9.5754 16.0487 16.0487 16.3512 16.3512 16.4864 16.4864 22.3627 22.3627 22.8596 22.8596 23.8675 23.8675 26.2779 26.2779 26.7421 26.7421 k = 0.4760 0.0416 0.6124 ( 777 PWs) bands (ev): -40.0091 -40.0091 -16.0553 -16.0553 -13.6950 -13.6950 -13.5259 -13.5259 9.5718 9.5718 16.0140 16.0140 16.3778 16.3778 16.5083 16.5083 22.2813 22.2813 22.9007 22.9007 23.8832 23.8832 26.2737 26.2737 26.7754 26.7754 k = 0.4712 0.0500 0.6124 ( 777 PWs) bands (ev): -40.0092 -40.0092 -16.0551 -16.0551 -13.6965 -13.6965 -13.5232 -13.5232 9.5677 9.5677 15.9779 15.9779 16.4037 16.4037 16.5355 16.5355 22.1961 22.1961 22.9367 22.9367 23.9024 23.9024 26.2751 26.2751 26.8089 26.8089 k = 0.4663 0.0583 0.6124 ( 777 PWs) bands (ev): -40.0094 -40.0094 -16.0549 -16.0549 -13.6982 -13.6982 -13.5202 -13.5202 9.5630 9.5630 15.9415 15.9415 16.4276 16.4276 16.5683 16.5683 22.1074 22.1074 22.9678 22.9678 23.9249 23.9249 26.2824 26.2824 26.8418 26.8418 k = 0.4615 0.0666 0.6124 ( 776 PWs) bands (ev): -40.0095 -40.0095 -16.0548 -16.0548 -13.7000 -13.7000 -13.5168 -13.5168 9.5577 9.5577 15.9051 15.9051 16.4489 16.4489 16.6065 16.6065 22.0160 22.0160 22.9942 22.9942 23.9503 23.9503 26.2954 26.2954 26.8738 26.8738 k = 0.4567 0.0749 0.6124 ( 773 PWs) bands (ev): -40.0096 -40.0096 -16.0545 -16.0545 -13.7019 -13.7019 -13.5132 -13.5132 9.5521 9.5521 15.8693 15.8693 16.4680 16.4680 16.6494 16.6494 21.9222 21.9222 23.0164 23.0164 23.9780 23.9780 26.3138 26.3138 26.9045 26.9045 k = 0.4519 0.0833 0.6124 ( 777 PWs) bands (ev): -40.0099 -40.0099 -16.0544 -16.0544 -13.7040 -13.7040 -13.5096 -13.5096 9.5462 9.5462 15.8345 15.8345 16.4851 16.4851 16.6960 16.6960 21.8268 21.8268 23.0347 23.0347 24.0075 24.0075 26.3369 26.3369 26.9337 26.9337 k = 0.4471 0.0916 0.6124 ( 777 PWs) bands (ev): -40.0101 -40.0101 -16.0542 -16.0542 -13.7060 -13.7060 -13.5058 -13.5058 9.5400 9.5400 15.8007 15.8007 16.5007 16.5007 16.7454 16.7454 21.7306 21.7306 23.0497 23.0497 24.0383 24.0383 26.3642 26.3642 26.9614 26.9614 k = 0.4423 0.0999 0.6124 ( 777 PWs) bands (ev): -40.0103 -40.0103 -16.0540 -16.0540 -13.7081 -13.7081 -13.5021 -13.5021 9.5337 9.5337 15.7684 15.7684 16.5150 16.5150 16.7968 16.7968 21.6342 21.6342 23.0618 23.0618 24.0697 24.0697 26.3948 26.3948 26.9874 26.9874 k = 0.4375 0.1083 0.6124 ( 777 PWs) bands (ev): -40.0105 -40.0105 -16.0539 -16.0539 -13.7101 -13.7101 -13.4983 -13.4983 9.5273 9.5273 15.7375 15.7375 16.5283 16.5283 16.8496 16.8496 21.5384 21.5384 23.0714 23.0714 24.1012 24.1012 26.4280 26.4280 27.0116 27.0116 k = 0.4327 0.1166 0.6124 ( 777 PWs) bands (ev): -40.0107 -40.0107 -16.0537 -16.0537 -13.7121 -13.7121 -13.4946 -13.4946 9.5210 9.5210 15.7085 15.7085 16.5407 16.5407 16.9030 16.9030 21.4442 21.4442 23.0790 23.0790 24.1321 24.1321 26.4630 26.4630 27.0341 27.0341 k = 0.4279 0.1249 0.6124 ( 781 PWs) bands (ev): -40.0110 -40.0110 -16.0536 -16.0536 -13.7140 -13.7140 -13.4911 -13.4911 9.5147 9.5147 15.6812 15.6812 16.5521 16.5521 16.9563 16.9563 21.3523 21.3523 23.0849 23.0849 24.1622 24.1622 26.4990 26.4990 27.0548 27.0548 k = 0.4231 0.1332 0.6124 ( 780 PWs) bands (ev): -40.0112 -40.0112 -16.0534 -16.0534 -13.7158 -13.7158 -13.4877 -13.4877 9.5087 9.5087 15.6560 15.6560 16.5626 16.5626 17.0089 17.0089 21.2637 21.2637 23.0895 23.0895 24.1908 24.1908 26.5352 26.5352 27.0737 27.0737 k = 0.4183 0.1416 0.6124 ( 780 PWs) bands (ev): -40.0113 -40.0113 -16.0533 -16.0533 -13.7175 -13.7175 -13.4845 -13.4845 9.5030 9.5030 15.6329 15.6329 16.5722 16.5722 17.0601 17.0601 21.1794 21.1794 23.0930 23.0930 24.2178 24.2178 26.5707 26.5707 27.0908 27.0908 k = 0.4135 0.1499 0.6124 ( 780 PWs) bands (ev): -40.0115 -40.0115 -16.0532 -16.0532 -13.7190 -13.7190 -13.4816 -13.4816 9.4977 9.4977 15.6119 15.6119 16.5808 16.5808 17.1090 17.1090 21.1002 21.1002 23.0956 23.0956 24.2426 24.2426 26.6049 26.6049 27.1061 27.1061 k = 0.4087 0.1582 0.6124 ( 782 PWs) bands (ev): -40.0117 -40.0117 -16.0531 -16.0531 -13.7204 -13.7204 -13.4790 -13.4790 9.4928 9.4928 15.5933 15.5933 16.5885 16.5885 17.1550 17.1550 21.0271 21.0271 23.0975 23.0975 24.2651 24.2651 26.6371 26.6371 27.1196 27.1196 k = 0.4038 0.1665 0.6124 ( 790 PWs) bands (ev): -40.0121 -40.0121 -16.0531 -16.0531 -13.7218 -13.7218 -13.4767 -13.4767 9.4884 9.4884 15.5770 15.5770 16.5953 16.5953 17.1970 17.1970 20.9612 20.9612 23.0989 23.0989 24.2851 24.2851 26.6664 26.6664 27.1313 27.1313 k = 0.3990 0.1749 0.6124 ( 790 PWs) bands (ev): -40.0122 -40.0122 -16.0530 -16.0530 -13.7228 -13.7228 -13.4747 -13.4747 9.4846 9.4846 15.5631 15.5631 16.6010 16.6010 17.2345 17.2345 20.9034 20.9034 23.0999 23.0999 24.3023 24.3023 26.6924 26.6924 27.1412 27.1412 k = 0.3942 0.1832 0.6124 ( 790 PWs) bands (ev): -40.0123 -40.0123 -16.0530 -16.0530 -13.7237 -13.7237 -13.4730 -13.4730 9.4814 9.4814 15.5516 15.5516 16.6058 16.6058 17.2664 17.2664 20.8546 20.8546 23.1006 23.1006 24.3166 24.3166 26.7144 26.7144 27.1493 27.1493 k = 0.3894 0.1915 0.6124 ( 790 PWs) bands (ev): -40.0124 -40.0124 -16.0529 -16.0529 -13.7244 -13.7244 -13.4716 -13.4716 9.4789 9.4789 15.5427 15.5427 16.6095 16.6095 17.2922 17.2922 20.8157 20.8157 23.1011 23.1011 24.3278 24.3278 26.7321 26.7321 27.1556 27.1556 k = 0.3846 0.1999 0.6124 ( 790 PWs) bands (ev): -40.0124 -40.0124 -16.0529 -16.0529 -13.7249 -13.7249 -13.4707 -13.4707 9.4771 9.4771 15.5363 15.5363 16.6121 16.6121 17.3111 17.3111 20.7873 20.7873 23.1014 23.1014 24.3359 24.3359 26.7449 26.7449 27.1601 27.1601 k = 0.3798 0.2082 0.6124 ( 786 PWs) bands (ev): -40.0123 -40.0123 -16.0528 -16.0528 -13.7251 -13.7251 -13.4700 -13.4700 9.4760 9.4760 15.5324 15.5324 16.6137 16.6137 17.3226 17.3226 20.7701 20.7701 23.1015 23.1015 24.3408 24.3408 26.7528 26.7528 27.1628 27.1628 k = 0.3750 0.2165 0.6124 ( 786 PWs) bands (ev): -40.0123 -40.0123 -16.0528 -16.0528 -13.7252 -13.7252 -13.4698 -13.4698 9.4756 9.4756 15.5311 15.5311 16.6143 16.6143 17.3265 17.3265 20.7643 20.7643 23.1016 23.1016 24.3424 24.3424 26.7554 26.7554 27.1637 27.1637 k = 0.3750 0.2165 0.6124 ( 786 PWs) bands (ev): -40.0123 -40.0123 -16.0528 -16.0528 -13.7252 -13.7252 -13.4698 -13.4698 9.4756 9.4756 15.5311 15.5311 16.6143 16.6143 17.3265 17.3265 20.7643 20.7643 23.1016 23.1016 24.3424 24.3424 26.7554 26.7554 27.1637 27.1637 k = 0.3702 0.2137 0.6045 ( 786 PWs) bands (ev): -40.0128 -40.0128 -16.0516 -16.0516 -13.7245 -13.7245 -13.4680 -13.4680 9.5293 9.5293 15.4570 15.4570 16.5884 16.5884 17.2306 17.2306 20.8567 20.8567 23.0482 23.0482 24.3646 24.3646 26.9592 26.9592 27.1121 27.1121 k = 0.3654 0.2110 0.5967 ( 790 PWs) bands (ev): -40.0135 -40.0135 -16.0504 -16.0504 -13.7240 -13.7240 -13.4658 -13.4658 9.5833 9.5833 15.3812 15.3812 16.5630 16.5630 17.1380 17.1380 20.9539 20.9539 22.9934 22.9934 24.3853 24.3853 27.0561 27.0561 27.1648 27.1648 k = 0.3606 0.2082 0.5888 ( 794 PWs) bands (ev): -40.0143 -40.0143 -16.0491 -16.0491 -13.7234 -13.7234 -13.4632 -13.4632 9.6376 9.6376 15.3042 15.3042 16.5383 16.5383 17.0488 17.0488 21.0557 21.0557 22.9371 22.9371 24.4045 24.4045 27.0020 27.0020 27.3659 27.3659 k = 0.3558 0.2054 0.5810 ( 786 PWs) bands (ev): -40.0146 -40.0146 -16.0476 -16.0476 -13.7226 -13.7226 -13.4601 -13.4601 9.6917 9.6917 15.2264 15.2264 16.5144 16.5144 16.9630 16.9630 21.1616 21.1616 22.8795 22.8795 24.4220 24.4220 26.9457 26.9457 27.5661 27.5661 k = 0.3510 0.2026 0.5731 ( 786 PWs) bands (ev): -40.0153 -40.0153 -16.0460 -16.0460 -13.7219 -13.7219 -13.4567 -13.4567 9.7456 9.7456 15.1482 15.1482 16.4912 16.4912 16.8808 16.8808 21.2712 21.2712 22.8206 22.8206 24.4376 24.4376 26.8882 26.8882 27.7642 27.7642 k = 0.3462 0.1999 0.5653 ( 792 PWs) bands (ev): -40.0163 -40.0163 -16.0444 -16.0444 -13.7212 -13.7212 -13.4529 -13.4529 9.7988 9.7988 15.0702 15.0702 16.4688 16.4688 16.8024 16.8024 21.3841 21.3841 22.7604 22.7604 24.4512 24.4512 26.8295 26.8295 27.9598 27.9598 k = 0.3413 0.1971 0.5574 ( 792 PWs) bands (ev): -40.0171 -40.0171 -16.0426 -16.0426 -13.7203 -13.7203 -13.4487 -13.4487 9.8511 9.8511 14.9929 14.9929 16.4472 16.4472 16.7278 16.7278 21.4996 21.4996 22.6991 22.6991 24.4628 24.4628 26.7698 26.7698 28.1524 28.1524 k = 0.3365 0.1943 0.5496 ( 792 PWs) bands (ev): -40.0180 -40.0180 -16.0407 -16.0407 -13.7192 -13.7192 -13.4442 -13.4442 9.9022 9.9022 14.9166 14.9166 16.4262 16.4262 16.6575 16.6575 21.6173 21.6173 22.6367 22.6367 24.4721 24.4721 26.7093 26.7093 28.3414 28.3414 k = 0.3317 0.1915 0.5417 ( 792 PWs) bands (ev): -40.0190 -40.0190 -16.0386 -16.0386 -13.7180 -13.7180 -13.4394 -13.4394 9.9517 9.9517 14.8421 14.8421 16.4056 16.4056 16.5917 16.5917 21.7366 21.7366 22.5732 22.5732 24.4790 24.4790 26.6481 26.6481 28.5264 28.5264 k = 0.3269 0.1887 0.5339 ( 792 PWs) bands (ev): -40.0200 -40.0200 -16.0364 -16.0364 -13.7166 -13.7166 -13.4343 -13.4343 9.9992 9.9992 14.7698 14.7698 16.3845 16.3845 16.5315 16.5315 21.8568 21.8568 22.5089 22.5089 24.4836 24.4836 26.5864 26.5864 28.7068 28.7068 k = 0.3221 0.1860 0.5260 ( 792 PWs) bands (ev): -40.0211 -40.0211 -16.0340 -16.0340 -13.7150 -13.7150 -13.4289 -13.4289 10.0443 10.0443 14.7003 14.7003 16.3615 16.3615 16.4784 16.4784 21.9772 21.9772 22.4438 22.4438 24.4856 24.4856 26.5244 26.5244 28.8819 28.8819 k = 0.3173 0.1832 0.5182 ( 790 PWs) bands (ev): -40.0222 -40.0222 -16.0314 -16.0314 -13.7130 -13.7130 -13.4233 -13.4233 10.0866 10.0866 14.6342 14.6342 16.3340 16.3340 16.4351 16.4351 22.0970 22.0970 22.3780 22.3780 24.4851 24.4851 26.4623 26.4623 29.0510 29.0510 k = 0.3125 0.1804 0.5103 ( 790 PWs) bands (ev): -40.0235 -40.0235 -16.0287 -16.0287 -13.7108 -13.7108 -13.4174 -13.4174 10.1257 10.1257 14.5721 14.5721 16.3001 16.3001 16.4037 16.4037 22.2143 22.2143 22.3125 22.3125 24.4820 24.4820 26.4002 26.4002 29.2134 29.2134 k = 0.3077 0.1776 0.5025 ( 790 PWs) bands (ev): -40.0248 -40.0248 -16.0257 -16.0257 -13.7083 -13.7083 -13.4114 -13.4114 10.1610 10.1610 14.5146 14.5146 16.2615 16.2615 16.3825 16.3825 22.2408 22.2408 22.3350 22.3350 24.4763 24.4763 26.3384 26.3384 29.3684 29.3684 k = 0.3029 0.1749 0.4946 ( 790 PWs) bands (ev): -40.0262 -40.0262 -16.0226 -16.0226 -13.7055 -13.7055 -13.4051 -13.4051 10.1921 10.1921 14.4623 14.4623 16.2216 16.2216 16.3682 16.3682 22.1742 22.1742 22.4469 22.4469 24.4678 24.4678 26.2771 26.2771 29.5153 29.5153 k = 0.2981 0.1721 0.4868 ( 796 PWs) bands (ev): -40.0280 -40.0280 -16.0194 -16.0194 -13.7024 -13.7024 -13.3989 -13.3989 10.2185 10.2185 14.4158 14.4158 16.1829 16.1829 16.3584 16.3584 22.1060 22.1060 22.5558 22.5558 24.4567 24.4567 26.2167 26.2167 29.6530 29.6530 k = 0.2933 0.1693 0.4789 ( 796 PWs) bands (ev): -40.0295 -40.0295 -16.0159 -16.0159 -13.6989 -13.6989 -13.3924 -13.3924 10.2398 10.2398 14.3756 14.3756 16.1467 16.1467 16.3519 16.3519 22.0371 22.0371 22.6597 22.6597 24.4429 24.4429 26.1572 26.1572 29.7809 29.7809 k = 0.2885 0.1665 0.4711 ( 796 PWs) bands (ev): -40.0311 -40.0311 -16.0121 -16.0121 -13.6950 -13.6950 -13.3857 -13.3857 10.2556 10.2556 14.3422 14.3422 16.1135 16.1135 16.3483 16.3483 21.9678 21.9678 22.7574 22.7574 24.4264 24.4264 26.0991 26.0991 29.8980 29.8980 k = 0.2837 0.1638 0.4632 ( 792 PWs) bands (ev): -40.0327 -40.0327 -16.0081 -16.0081 -13.6906 -13.6906 -13.3790 -13.3790 10.2654 10.2654 14.3162 14.3162 16.0837 16.0837 16.3472 16.3472 21.8983 21.8983 22.8476 22.8476 24.4073 24.4073 26.0425 26.0425 30.0034 30.0034 k = 0.2788 0.1610 0.4554 ( 792 PWs) bands (ev): -40.0345 -40.0345 -16.0039 -16.0039 -13.6859 -13.6859 -13.3722 -13.3722 10.2690 10.2690 14.2979 14.2979 16.0575 16.0575 16.3485 16.3485 21.8285 21.8285 22.9294 22.9294 24.3855 24.3855 25.9875 25.9875 30.0964 30.0964 k = 0.2740 0.1582 0.4475 ( 792 PWs) bands (ev): -40.0363 -40.0363 -15.9995 -15.9995 -13.6808 -13.6808 -13.3654 -13.3654 10.2661 10.2661 14.2878 14.2878 16.0351 16.0351 16.3522 16.3522 21.7585 21.7585 23.0017 23.0017 24.3611 24.3611 25.9344 25.9344 30.1761 30.1761 k = 0.2692 0.1554 0.4397 ( 788 PWs) bands (ev): -40.0381 -40.0381 -15.9948 -15.9948 -13.6753 -13.6753 -13.3584 -13.3584 10.2566 10.2566 14.2859 14.2859 16.0164 16.0164 16.3583 16.3583 21.6885 21.6885 23.0634 23.0634 24.3342 24.3342 25.8832 25.8832 30.2418 30.2418 k = 0.2644 0.1527 0.4318 ( 788 PWs) bands (ev): -40.0401 -40.0401 -15.9899 -15.9899 -13.6693 -13.6693 -13.3515 -13.3515 10.2404 10.2404 14.2924 14.2924 16.0016 16.0016 16.3666 16.3666 21.6185 21.6185 23.1138 23.1138 24.3048 24.3048 25.8337 25.8337 30.2928 30.2928 k = 0.2596 0.1499 0.4240 ( 788 PWs) bands (ev): -40.0422 -40.0422 -15.9848 -15.9848 -13.6630 -13.6630 -13.3445 -13.3445 10.2176 10.2176 14.3073 14.3073 15.9907 15.9907 16.3774 16.3774 21.5485 21.5485 23.1522 23.1522 24.2730 24.2730 25.7858 25.7858 30.3286 30.3286 k = 0.2548 0.1471 0.4161 ( 792 PWs) bands (ev): -40.0445 -40.0445 -15.9795 -15.9795 -13.6563 -13.6563 -13.3376 -13.3376 10.1883 10.1883 14.3307 14.3307 15.9837 15.9837 16.3904 16.3904 21.4787 21.4787 23.1782 23.1782 24.2388 24.2388 25.7392 25.7392 30.3489 30.3489 k = 0.2500 0.1443 0.4082 ( 792 PWs) bands (ev): -40.0468 -40.0468 -15.9739 -15.9739 -13.6491 -13.6491 -13.3307 -13.3307 10.1528 10.1528 14.3622 14.3622 15.9806 15.9806 16.4059 16.4059 21.4091 21.4091 23.1916 23.1916 24.2023 24.2023 25.6934 25.6934 30.3533 30.3533 k = 0.2452 0.1416 0.4004 ( 792 PWs) bands (ev): -40.0491 -40.0491 -15.9681 -15.9681 -13.6415 -13.6415 -13.3238 -13.3238 10.1113 10.1113 14.4017 14.4017 15.9815 15.9815 16.4237 16.4237 21.3397 21.3397 23.1926 23.1926 24.1636 24.1636 25.6478 25.6478 30.3419 30.3419 k = 0.2404 0.1388 0.3925 ( 792 PWs) bands (ev): -40.0514 -40.0514 -15.9621 -15.9621 -13.6334 -13.6334 -13.3170 -13.3170 10.0642 10.0642 14.4488 14.4488 15.9864 15.9864 16.4439 16.4439 21.2707 21.2707 23.1815 23.1815 24.1228 24.1228 25.6017 25.6017 30.3147 30.3147 k = 0.2356 0.1360 0.3847 ( 792 PWs) bands (ev): -40.0538 -40.0538 -15.9558 -15.9558 -13.6250 -13.6250 -13.3101 -13.3101 10.0119 10.0119 14.5033 14.5033 15.9953 15.9953 16.4666 16.4666 21.2021 21.2021 23.1588 23.1588 24.0799 24.0799 25.5546 25.5546 30.2719 30.2719 k = 0.2308 0.1332 0.3768 ( 796 PWs) bands (ev): -40.0565 -40.0565 -15.9494 -15.9494 -13.6162 -13.6162 -13.3034 -13.3034 9.9548 9.9548 14.5647 14.5647 16.0082 16.0082 16.4916 16.4916 21.1340 21.1340 23.1252 23.1252 24.0351 24.0351 25.5057 25.5057 30.2139 30.2139 k = 0.2260 0.1305 0.3690 ( 796 PWs) bands (ev): -40.0590 -40.0590 -15.9427 -15.9427 -13.6070 -13.6070 -13.2967 -13.2967 9.8935 9.8935 14.6326 14.6326 16.0251 16.0251 16.5190 16.5190 21.0664 21.0664 23.0817 23.0817 23.9884 23.9884 25.4547 25.4547 30.1414 30.1414 k = 0.2212 0.1277 0.3611 ( 796 PWs) bands (ev): -40.0616 -40.0616 -15.9358 -15.9358 -13.5974 -13.5974 -13.2901 -13.2901 9.8282 9.8282 14.7066 14.7066 16.0460 16.0460 16.5489 16.5489 20.9993 20.9993 23.0290 23.0290 23.9400 23.9400 25.4010 25.4010 30.0548 30.0548 k = 0.2163 0.1249 0.3533 ( 797 PWs) bands (ev): -40.0643 -40.0643 -15.9288 -15.9288 -13.5874 -13.5874 -13.2836 -13.2836 9.7596 9.7596 14.7863 14.7863 16.0709 16.0709 16.5812 16.5812 20.9329 20.9329 22.9681 22.9681 23.8900 23.8900 25.3444 25.3444 29.9549 29.9549 k = 0.2115 0.1221 0.3454 ( 793 PWs) bands (ev): -40.0669 -40.0669 -15.9215 -15.9215 -13.5770 -13.5770 -13.2771 -13.2771 9.6880 9.6880 14.8713 14.8713 16.0998 16.0998 16.6159 16.6159 20.8672 20.8672 22.8999 22.8999 23.8384 23.8384 25.2848 25.2848 29.8426 29.8426 k = 0.2067 0.1194 0.3376 ( 793 PWs) bands (ev): -40.0696 -40.0696 -15.9141 -15.9141 -13.5663 -13.5663 -13.2707 -13.2707 9.6137 9.6137 14.9613 14.9613 16.1328 16.1328 16.6530 16.6530 20.8023 20.8023 22.8252 22.8252 23.7854 23.7854 25.2220 25.2220 29.7186 29.7186 k = 0.2019 0.1166 0.3297 ( 797 PWs) bands (ev): -40.0725 -40.0725 -15.9065 -15.9065 -13.5553 -13.5553 -13.2645 -13.2645 9.5373 9.5373 15.0558 15.0558 16.1697 16.1697 16.6925 16.6925 20.7382 20.7382 22.7449 22.7449 23.7311 23.7311 25.1562 25.1562 29.5837 29.5837 k = 0.1971 0.1138 0.3219 ( 797 PWs) bands (ev): -40.0753 -40.0753 -15.8988 -15.8988 -13.5439 -13.5439 -13.2584 -13.2584 9.4591 9.4591 15.1546 15.1546 16.2107 16.2107 16.7344 16.7344 20.6749 20.6749 22.6599 22.6599 23.6755 23.6755 25.0875 25.0875 29.4388 29.4388 k = 0.1923 0.1110 0.3140 ( 797 PWs) bands (ev): -40.0782 -40.0782 -15.8910 -15.8910 -13.5322 -13.5322 -13.2524 -13.2524 9.3794 9.3794 15.2573 15.2573 16.2557 16.2557 16.7787 16.7787 20.6125 20.6125 22.5707 22.5707 23.6187 23.6187 25.0161 25.0161 29.2848 29.2848 k = 0.1875 0.1083 0.3062 ( 799 PWs) bands (ev): -40.0811 -40.0811 -15.8831 -15.8831 -13.5203 -13.5203 -13.2465 -13.2465 9.2986 9.2986 15.3637 15.3637 16.3046 16.3046 16.8252 16.8252 20.5511 20.5511 22.4782 22.4782 23.5608 23.5608 24.9422 24.9422 29.1224 29.1224 k = 0.1827 0.1055 0.2983 ( 799 PWs) bands (ev): -40.0840 -40.0840 -15.8751 -15.8751 -13.5081 -13.5081 -13.2408 -13.2408 9.2169 9.2169 15.4734 15.4734 16.3575 16.3575 16.8741 16.8741 20.4907 20.4907 22.3830 22.3830 23.5020 23.5020 24.8660 24.8660 28.9523 28.9523 k = 0.1779 0.1027 0.2905 ( 799 PWs) bands (ev): -40.0869 -40.0869 -15.8669 -15.8669 -13.4956 -13.4956 -13.2351 -13.2351 9.1346 9.1346 15.5861 15.5861 16.4144 16.4144 16.9253 16.9253 20.4313 20.4313 22.2855 22.2855 23.4421 23.4421 24.7878 24.7878 28.7754 28.7754 k = 0.1731 0.0999 0.2826 ( 795 PWs) bands (ev): -40.0897 -40.0897 -15.8587 -15.8587 -13.4828 -13.4828 -13.2296 -13.2296 9.0521 9.0521 15.7017 15.7017 16.4753 16.4753 16.9787 16.9787 20.3730 20.3730 22.1865 22.1865 23.3814 23.3814 24.7079 24.7079 28.5923 28.5923 k = 0.1683 0.0972 0.2748 ( 795 PWs) bands (ev): -40.0926 -40.0926 -15.8505 -15.8505 -13.4699 -13.4699 -13.2243 -13.2243 8.9694 8.9694 15.8200 15.8200 16.5401 16.5401 17.0343 17.0343 20.3159 20.3159 22.0864 22.0864 23.3199 23.3199 24.6263 24.6263 28.4036 28.4036 k = 0.1635 0.0944 0.2669 ( 797 PWs) bands (ev): -40.0956 -40.0956 -15.8423 -15.8423 -13.4568 -13.4568 -13.2191 -13.2191 8.8869 8.8869 15.9405 15.9405 16.6088 16.6088 17.0920 17.0920 20.2599 20.2599 21.9856 21.9856 23.2576 23.2576 24.5433 24.5433 28.2100 28.2100 k = 0.1587 0.0916 0.2591 ( 801 PWs) bands (ev): -40.0987 -40.0987 -15.8341 -15.8341 -13.4437 -13.4437 -13.2140 -13.2140 8.8048 8.8048 16.0633 16.0633 16.6815 16.6815 17.1518 17.1518 20.2052 20.2052 21.8847 21.8847 23.1946 23.1946 24.4590 24.4590 28.0121 28.0121 k = 0.1538 0.0888 0.2512 ( 801 PWs) bands (ev): -40.1016 -40.1016 -15.8259 -15.8259 -13.4303 -13.4303 -13.2091 -13.2091 8.7233 8.7233 16.1881 16.1881 16.7580 16.7580 17.2136 17.2136 20.1517 20.1517 21.7841 21.7841 23.1310 23.1310 24.3735 24.3735 27.8102 27.8102 k = 0.1490 0.0860 0.2434 ( 801 PWs) bands (ev): -40.1045 -40.1045 -15.8177 -15.8177 -13.4169 -13.4169 -13.2043 -13.2043 8.6425 8.6425 16.3146 16.3146 16.8385 16.8385 17.2774 17.2774 20.0996 20.0996 21.6841 21.6841 23.0667 23.0667 24.2870 24.2870 27.6051 27.6051 k = 0.1442 0.0833 0.2355 ( 801 PWs) bands (ev): -40.1074 -40.1074 -15.8096 -15.8096 -13.4033 -13.4033 -13.1997 -13.1997 8.5626 8.5626 16.4427 16.4427 16.9227 16.9227 17.3431 17.3431 20.0487 20.0487 21.5851 21.5851 23.0019 23.0019 24.1996 24.1996 27.3970 27.3970 k = 0.1394 0.0805 0.2277 ( 803 PWs) bands (ev): -40.1103 -40.1103 -15.8015 -15.8015 -13.3898 -13.3898 -13.1952 -13.1952 8.4839 8.4839 16.5722 16.5722 17.0109 17.0109 17.4106 17.4106 19.9992 19.9992 21.4874 21.4874 22.9365 22.9365 24.1112 24.1112 27.1864 27.1864 k = 0.1346 0.0777 0.2198 ( 803 PWs) bands (ev): -40.1131 -40.1131 -15.7936 -15.7936 -13.3762 -13.3762 -13.1909 -13.1909 8.4064 8.4064 16.7028 16.7028 17.1028 17.1028 17.4798 17.4798 19.9511 19.9511 21.3915 21.3915 22.8707 22.8707 24.0219 24.0219 26.9737 26.9737 k = 0.1298 0.0749 0.2120 ( 799 PWs) bands (ev): -40.1157 -40.1157 -15.7856 -15.7856 -13.3626 -13.3626 -13.1867 -13.1867 8.3302 8.3302 16.8345 16.8345 17.1985 17.1985 17.5507 17.5507 19.9045 19.9045 21.2976 21.2976 22.8044 22.8044 23.9318 23.9318 26.7593 26.7593 k = 0.1250 0.0722 0.2041 ( 799 PWs) bands (ev): -40.1184 -40.1184 -15.7779 -15.7779 -13.3491 -13.3491 -13.1827 -13.1827 8.2557 8.2557 16.9669 16.9669 17.2980 17.2980 17.6231 17.6231 19.8593 19.8593 21.2060 21.2060 22.7378 22.7378 23.8408 23.8408 26.5434 26.5434 k = 0.1202 0.0694 0.1963 ( 799 PWs) bands (ev): -40.1211 -40.1211 -15.7703 -15.7703 -13.3357 -13.3357 -13.1788 -13.1788 8.1828 8.1828 17.1000 17.1000 17.4013 17.4013 17.6969 17.6969 19.8156 19.8156 21.1170 21.1170 22.6707 22.6707 23.7490 23.7490 26.3264 26.3264 k = 0.1154 0.0666 0.1884 ( 799 PWs) bands (ev): -40.1237 -40.1237 -15.7629 -15.7629 -13.3224 -13.3224 -13.1751 -13.1751 8.1117 8.1117 17.2333 17.2333 17.5082 17.5082 17.7720 17.7720 19.7734 19.7734 21.0310 21.0310 22.6034 22.6034 23.6562 23.6562 26.1087 26.1087 k = 0.1106 0.0638 0.1806 ( 799 PWs) bands (ev): -40.1263 -40.1263 -15.7556 -15.7556 -13.3093 -13.3093 -13.1716 -13.1716 8.0426 8.0426 17.3668 17.3668 17.6188 17.6188 17.8483 17.8483 19.7328 19.7328 20.9482 20.9482 22.5358 22.5358 23.5626 23.5626 25.8903 25.8903 k = 0.1058 0.0611 0.1727 ( 797 PWs) bands (ev): -40.1287 -40.1287 -15.7485 -15.7485 -13.2964 -13.2964 -13.1682 -13.1682 7.9755 7.9755 17.5000 17.5000 17.7330 17.7330 17.9257 17.9257 19.6938 19.6938 20.8689 20.8689 22.4679 22.4679 23.4680 23.4680 25.6717 25.6717 k = 0.1010 0.0583 0.1649 ( 797 PWs) bands (ev): -40.1311 -40.1311 -15.7417 -15.7417 -13.2837 -13.2837 -13.1650 -13.1650 7.9106 7.9106 17.6329 17.6329 17.8506 17.8506 18.0041 18.0041 19.6564 19.6564 20.7936 20.7936 22.4000 22.4000 23.3725 23.3725 25.4529 25.4529 k = 0.0962 0.0555 0.1570 ( 797 PWs) bands (ev): -40.1335 -40.1335 -15.7351 -15.7351 -13.2713 -13.2713 -13.1619 -13.1619 7.8479 7.8479 17.7649 17.7649 17.9715 17.9715 18.0835 18.0835 19.6206 19.6206 20.7224 20.7224 22.3319 22.3319 23.2759 23.2759 25.2343 25.2343 k = 0.0913 0.0527 0.1492 ( 797 PWs) bands (ev): -40.1357 -40.1357 -15.7287 -15.7287 -13.2592 -13.2592 -13.1590 -13.1590 7.7876 7.7876 17.8957 17.8957 18.0949 18.0949 18.1644 18.1644 19.5865 19.5865 20.6559 20.6559 22.2638 22.2638 23.1783 23.1783 25.0161 25.0161 k = 0.0865 0.0500 0.1413 ( 801 PWs) bands (ev): -40.1381 -40.1381 -15.7226 -15.7226 -13.2475 -13.2475 -13.1563 -13.1563 7.7298 7.7298 18.0249 18.0249 18.2158 18.2158 18.2515 18.2515 19.5541 19.5541 20.5944 20.5944 22.1959 22.1959 23.0796 23.0796 24.7984 24.7984 k = 0.0817 0.0472 0.1335 ( 801 PWs) bands (ev): -40.1402 -40.1402 -15.7167 -15.7167 -13.2362 -13.2362 -13.1537 -13.1537 7.6745 7.6745 18.1519 18.1519 18.3129 18.3129 18.3658 18.3658 19.5234 19.5234 20.5384 20.5384 22.1282 22.1282 22.9798 22.9798 24.5813 24.5813 k = 0.0769 0.0444 0.1256 ( 801 PWs) bands (ev): -40.1422 -40.1422 -15.7111 -15.7111 -13.2253 -13.2253 -13.1512 -13.1512 7.6220 7.6220 18.2760 18.2760 18.3955 18.3955 18.4978 18.4978 19.4945 19.4945 20.4886 20.4886 22.0608 22.0608 22.8789 22.8789 24.3652 24.3652 k = 0.0721 0.0416 0.1178 ( 801 PWs) bands (ev): -40.1441 -40.1441 -15.7058 -15.7058 -13.2148 -13.2148 -13.1489 -13.1489 7.5721 7.5721 18.3963 18.3963 18.4757 18.4757 18.6353 18.6353 19.4674 19.4674 20.4457 20.4457 21.9940 21.9940 22.7768 22.7768 24.1501 24.1501 k = 0.0673 0.0389 0.1099 ( 797 PWs) bands (ev): -40.1457 -40.1457 -15.7007 -15.7007 -13.2048 -13.2048 -13.1467 -13.1467 7.5251 7.5251 18.5111 18.5111 18.5557 18.5557 18.7764 18.7764 19.4422 19.4422 20.4103 20.4103 21.9280 21.9280 22.6736 22.6736 23.9363 23.9363 k = 0.0625 0.0361 0.1021 ( 797 PWs) bands (ev): -40.1474 -40.1474 -15.6960 -15.6960 -13.1953 -13.1953 -13.1447 -13.1447 7.4810 7.4810 18.6143 18.6143 18.6401 18.6401 18.9207 18.9207 19.4190 19.4190 20.3836 20.3836 21.8629 21.8629 22.5693 22.5693 23.7237 23.7237 k = 0.0577 0.0333 0.0942 ( 799 PWs) bands (ev): -40.1491 -40.1491 -15.6917 -15.6917 -13.1865 -13.1865 -13.1428 -13.1428 7.4398 7.4398 18.6977 18.6977 18.7358 18.7358 19.0680 19.0680 19.3982 19.3982 20.3665 20.3665 21.7991 21.7991 22.4640 22.4640 23.5127 23.5127 k = 0.0529 0.0305 0.0864 ( 799 PWs) bands (ev): -40.1505 -40.1505 -15.6876 -15.6876 -13.1781 -13.1781 -13.1411 -13.1411 7.4017 7.4017 18.7720 18.7720 18.8301 18.8301 19.2167 19.2167 19.3809 19.3809 20.3602 20.3602 21.7369 21.7369 22.3576 22.3576 23.3034 23.3034 k = 0.0481 0.0278 0.0785 ( 799 PWs) bands (ev): -40.1519 -40.1519 -15.6839 -15.6839 -13.1705 -13.1705 -13.1396 -13.1396 7.3667 7.3667 18.8422 18.8422 18.9163 18.9163 19.3392 19.3392 19.3952 19.3952 20.3659 20.3659 21.6768 21.6768 22.2504 22.2504 23.0959 23.0959 k = 0.0433 0.0250 0.0707 ( 791 PWs) bands (ev): -40.1528 -40.1528 -15.6803 -15.6803 -13.1633 -13.1633 -13.1381 -13.1381 7.3348 7.3348 18.9084 18.9084 18.9922 18.9922 19.3403 19.3403 19.5362 19.5362 20.3843 20.3843 21.6192 21.6192 22.1425 22.1425 22.8904 22.8904 k = 0.0385 0.0222 0.0628 ( 791 PWs) bands (ev): -40.1539 -40.1539 -15.6773 -15.6773 -13.1569 -13.1569 -13.1368 -13.1368 7.3062 7.3062 18.9702 18.9702 19.0565 19.0565 19.3296 19.3296 19.6942 19.6942 20.4161 20.4161 21.5647 21.5647 22.0342 22.0342 22.6871 22.6871 k = 0.0337 0.0194 0.0550 ( 791 PWs) bands (ev): -40.1549 -40.1549 -15.6746 -15.6746 -13.1512 -13.1512 -13.1357 -13.1357 7.2808 7.2808 19.0267 19.0267 19.1088 19.1088 19.3210 19.3210 19.8560 19.8560 20.4607 20.4607 21.5138 21.5138 21.9258 21.9258 22.4862 22.4862 k = 0.0288 0.0167 0.0471 ( 791 PWs) bands (ev): -40.1557 -40.1557 -15.6722 -15.6722 -13.1463 -13.1463 -13.1348 -13.1348 7.2587 7.2587 19.0771 19.0771 19.1491 19.1491 19.3157 19.3157 20.0205 20.0205 20.5174 20.5174 21.4672 21.4672 21.8179 21.8179 22.2882 22.2882 k = 0.0240 0.0139 0.0393 ( 787 PWs) bands (ev): -40.1563 -40.1563 -15.6701 -15.6701 -13.1420 -13.1420 -13.1340 -13.1340 7.2399 7.2399 19.1203 19.1203 19.1778 19.1778 19.3148 19.3148 20.1869 20.1869 20.5840 20.5840 21.4257 21.4257 21.7114 21.7114 22.0935 22.0935 k = 0.0192 0.0111 0.0314 ( 783 PWs) bands (ev): -40.1567 -40.1567 -15.6684 -15.6684 -13.1384 -13.1384 -13.1333 -13.1333 7.2245 7.2245 19.1555 19.1555 19.1963 19.1963 19.3182 19.3182 20.3543 20.3543 20.6579 20.6579 21.3897 21.3897 21.6076 21.6076 21.9032 21.9032 k = 0.0144 0.0083 0.0236 ( 783 PWs) bands (ev): -40.1572 -40.1572 -15.6671 -15.6671 -13.1357 -13.1357 -13.1328 -13.1328 7.2126 7.2126 19.1822 19.1822 19.2067 19.2067 19.3247 19.3247 20.5210 20.5210 20.7351 20.7351 21.3594 21.3594 21.5096 21.5096 21.7194 21.7194 k = 0.0096 0.0056 0.0157 ( 773 PWs) bands (ev): -40.1571 -40.1571 -15.6661 -15.6661 -13.1336 -13.1336 -13.1322 -13.1322 7.2040 7.2040 19.2006 19.2006 19.2118 19.2118 19.3320 19.3320 20.6825 20.6825 20.8092 20.8092 21.3328 21.3328 21.4240 21.4240 21.5476 21.5476 k = 0.0048 0.0028 0.0079 ( 769 PWs) bands (ev): -40.1572 -40.1572 -15.6654 -15.6654 -13.1324 -13.1324 -13.1319 -13.1319 7.1989 7.1989 19.2112 19.2112 19.2141 19.2141 19.3376 19.3376 20.8242 20.8242 20.8684 20.8684 21.2997 21.2997 21.3674 21.3674 21.4075 21.4075 k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -40.1565 -40.1565 -15.6649 -15.6649 -13.1316 -13.1316 -13.1316 -13.1316 7.1972 7.1972 19.2147 19.2147 19.2147 19.2147 19.3396 19.3396 20.8927 20.8927 20.8927 20.8927 21.2691 21.2691 21.3517 21.3517 21.3517 21.3517 k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -40.1565 -40.1565 -15.6649 -15.6649 -13.1316 -13.1316 -13.1316 -13.1316 7.1972 7.1972 19.2147 19.2147 19.2147 19.2147 19.3396 19.3396 20.8927 20.8927 20.8927 20.8927 21.2691 21.2691 21.3517 21.3517 21.3517 21.3517 k = 0.0078 0.0045 0.0032 ( 770 PWs) bands (ev): -40.1572 -40.1572 -15.6655 -15.6655 -13.1324 -13.1324 -13.1319 -13.1319 7.1989 7.1989 19.2110 19.2110 19.2143 19.2143 19.3376 19.3376 20.8421 20.8421 20.8497 20.8497 21.3014 21.3014 21.3758 21.3758 21.3982 21.3982 k = 0.0156 0.0090 0.0064 ( 779 PWs) bands (ev): -40.1574 -40.1574 -15.6662 -15.6662 -13.1337 -13.1337 -13.1322 -13.1322 7.2039 7.2039 19.1993 19.1993 19.2131 19.2131 19.3323 19.3323 20.7330 20.7330 20.7519 20.7519 21.3297 21.3297 21.4743 21.4743 21.5069 21.5069 k = 0.0234 0.0135 0.0096 ( 779 PWs) bands (ev): -40.1571 -40.1571 -15.6671 -15.6671 -13.1358 -13.1358 -13.1325 -13.1325 7.2124 7.2124 19.1779 19.1779 19.2106 19.2106 19.3252 19.3252 20.6068 20.6068 20.6351 20.6351 21.3475 21.3475 21.6122 21.6122 21.6425 21.6425 k = 0.0312 0.0180 0.0128 ( 779 PWs) bands (ev): -40.1566 -40.1566 -15.6683 -15.6683 -13.1386 -13.1386 -13.1329 -13.1329 7.2243 7.2243 19.1454 19.1454 19.2060 19.2060 19.3176 19.3176 20.4777 20.4777 20.5145 20.5145 21.3672 21.3672 21.7633 21.7633 21.7904 21.7904 k = 0.0391 0.0226 0.0159 ( 779 PWs) bands (ev): -40.1560 -40.1560 -15.6700 -15.6700 -13.1422 -13.1422 -13.1334 -13.1334 7.2396 7.2396 19.1017 19.1017 19.1983 19.1983 19.3093 19.3093 20.3514 20.3514 20.3964 20.3964 21.3902 21.3902 21.9211 21.9211 21.9453 21.9453 k = 0.0469 0.0271 0.0191 ( 785 PWs) bands (ev): -40.1555 -40.1555 -15.6720 -15.6720 -13.1467 -13.1467 -13.1340 -13.1340 7.2582 7.2582 19.0474 19.0474 19.1858 19.1858 19.2986 19.2986 20.2314 20.2314 20.2847 20.2847 21.4164 21.4164 22.0831 22.0831 22.1050 22.1050 k = 0.0547 0.0316 0.0223 ( 785 PWs) bands (ev): -40.1547 -40.1547 -15.6744 -15.6744 -13.1519 -13.1519 -13.1347 -13.1347 7.2801 7.2801 18.9836 18.9836 19.1665 19.1665 19.2825 19.2825 20.1211 20.1211 20.1828 20.1828 21.4454 21.4454 22.2483 22.2483 22.2682 22.2682 k = 0.0625 0.0361 0.0255 ( 797 PWs) bands (ev): -40.1542 -40.1542 -15.6773 -15.6773 -13.1579 -13.1579 -13.1357 -13.1357 7.3053 7.3053 18.9114 18.9114 19.1378 19.1378 19.2573 19.2573 20.0247 20.0247 20.0937 20.0937 21.4767 21.4767 22.4160 22.4160 22.4342 22.4342 k = 0.0703 0.0406 0.0287 ( 797 PWs) bands (ev): -40.1531 -40.1531 -15.6803 -15.6803 -13.1645 -13.1645 -13.1366 -13.1366 7.3337 7.3337 18.8319 18.8319 19.0974 19.0974 19.2188 19.2188 19.9464 19.9464 20.0203 20.0203 21.5098 21.5098 22.5859 22.5859 22.6026 22.6026 k = 0.0781 0.0451 0.0319 ( 797 PWs) bands (ev): -40.1519 -40.1519 -15.6837 -15.6837 -13.1719 -13.1719 -13.1376 -13.1376 7.3654 7.3654 18.7459 18.7459 19.0436 19.0436 19.1639 19.1639 19.8892 19.8892 19.9645 19.9645 21.5442 21.5442 22.7577 22.7577 22.7731 22.7731 k = 0.0859 0.0496 0.0351 ( 797 PWs) bands (ev): -40.1505 -40.1505 -15.6874 -15.6874 -13.1799 -13.1799 -13.1387 -13.1387 7.4003 7.4003 18.6543 18.6543 18.9762 18.9762 19.0920 19.0920 19.8538 19.8538 19.9266 19.9266 21.5796 21.5796 22.9312 22.9312 22.9454 22.9454 k = 0.0938 0.0541 0.0383 ( 797 PWs) bands (ev): -40.1491 -40.1491 -15.6914 -15.6914 -13.1885 -13.1885 -13.1399 -13.1399 7.4383 7.4383 18.5577 18.5577 18.8963 18.8963 19.0054 19.0054 19.8379 19.8379 19.9055 19.9055 21.6158 21.6158 23.1062 23.1062 23.1194 23.1194 k = 0.1016 0.0586 0.0415 ( 803 PWs) bands (ev): -40.1478 -40.1478 -15.6959 -15.6959 -13.1979 -13.1979 -13.1413 -13.1413 7.4793 7.4793 18.4566 18.4566 18.8064 18.8064 18.9077 18.9077 19.8379 19.8379 19.8991 19.8991 21.6524 21.6524 23.2827 23.2827 23.2949 23.2949 k = 0.1094 0.0631 0.0447 ( 803 PWs) bands (ev): -40.1461 -40.1461 -15.7006 -15.7006 -13.2078 -13.2078 -13.1427 -13.1427 7.5234 7.5234 18.3517 18.3517 18.7088 18.7088 18.8026 18.8026 19.8501 19.8501 19.9049 19.9049 21.6893 21.6893 23.4605 23.4605 23.4718 23.4718 k = 0.1172 0.0677 0.0478 ( 803 PWs) bands (ev): -40.1443 -40.1443 -15.7055 -15.7055 -13.2182 -13.2182 -13.1441 -13.1441 7.5705 7.5705 18.2434 18.2434 18.6060 18.6060 18.6929 18.6929 19.8717 19.8717 19.9207 19.9207 21.7265 21.7265 23.6394 23.6394 23.6499 23.6499 k = 0.1250 0.0722 0.0510 ( 797 PWs) bands (ev): -40.1422 -40.1422 -15.7108 -15.7107 -13.2291 -13.2291 -13.1456 -13.1456 7.6204 7.6204 18.1321 18.1321 18.4997 18.4997 18.5806 18.5806 19.9007 19.9007 19.9445 19.9445 21.7639 21.7639 23.8194 23.8194 23.8291 23.8291 k = 0.1328 0.0767 0.0542 ( 797 PWs) bands (ev): -40.1403 -40.1403 -15.7163 -15.7163 -13.2405 -13.2405 -13.1472 -13.1472 7.6732 7.6732 18.0182 18.0182 18.3913 18.3913 18.4672 18.4672 19.9356 19.9356 19.9751 19.9751 21.8014 21.8014 24.0003 24.0003 24.0094 24.0094 k = 0.1406 0.0812 0.0574 ( 797 PWs) bands (ev): -40.1382 -40.1382 -15.7222 -15.7222 -13.2525 -13.2525 -13.1489 -13.1489 7.7288 7.7288 17.9020 17.9020 18.2820 18.2820 18.3535 18.3535 19.9755 19.9755 20.0114 20.0114 21.8392 21.8392 24.1821 24.1821 24.1904 24.1904 k = 0.1484 0.0857 0.0606 ( 797 PWs) bands (ev): -40.1361 -40.1361 -15.7283 -15.7283 -13.2648 -13.2648 -13.1506 -13.1506 7.7871 7.7871 17.7839 17.7839 18.1724 18.1724 18.2403 18.2403 20.0197 20.0197 20.0526 20.0526 21.8772 21.8772 24.3646 24.3646 24.3723 24.3723 k = 0.1562 0.0902 0.0638 ( 797 PWs) bands (ev): -40.1338 -40.1338 -15.7347 -15.7347 -13.2775 -13.2775 -13.1525 -13.1525 7.8480 7.8480 17.6640 17.6640 18.0632 18.0632 18.1280 18.1280 20.0678 20.0678 20.0981 20.0981 21.9155 21.9155 24.5478 24.5478 24.5548 24.5548 k = 0.1641 0.0947 0.0670 ( 800 PWs) bands (ev): -40.1317 -40.1317 -15.7414 -15.7414 -13.2907 -13.2907 -13.1543 -13.1543 7.9115 7.9115 17.5427 17.5427 17.9548 17.9548 18.0170 18.0170 20.1192 20.1192 20.1473 20.1473 21.9543 21.9543 24.7315 24.7315 24.7378 24.7378 k = 0.1719 0.0992 0.0702 ( 800 PWs) bands (ev): -40.1293 -40.1293 -15.7482 -15.7482 -13.3041 -13.3041 -13.1563 -13.1563 7.9774 7.9774 17.4202 17.4202 17.8475 17.8475 17.9075 17.9075 20.1738 20.1738 20.2001 20.2001 21.9937 21.9937 24.9156 24.9156 24.9213 24.9213 k = 0.1797 0.1037 0.0734 ( 800 PWs) bands (ev): -40.1269 -40.1269 -15.7553 -15.7553 -13.3177 -13.3177 -13.1582 -13.1582 8.0457 8.0457 17.2966 17.2966 17.7417 17.7417 17.7998 17.7998 20.2312 20.2312 20.2560 20.2560 22.0337 22.0337 25.1000 25.1000 25.1051 25.1051 k = 0.1875 0.1083 0.0765 ( 800 PWs) bands (ev): -40.1244 -40.1244 -15.7626 -15.7626 -13.3316 -13.3316 -13.1603 -13.1603 8.1163 8.1163 17.1722 17.1722 17.6375 17.6375 17.6939 17.6939 20.2913 20.2913 20.3147 20.3147 22.0746 22.0746 25.2846 25.2846 25.2890 25.2890 k = 0.1953 0.1128 0.0797 ( 800 PWs) bands (ev): -40.1218 -40.1218 -15.7701 -15.7701 -13.3456 -13.3456 -13.1623 -13.1623 8.1892 8.1892 17.0472 17.0472 17.5350 17.5350 17.5901 17.5901 20.3539 20.3539 20.3762 20.3762 22.1163 22.1163 25.4693 25.4693 25.4730 25.4730 k = 0.2031 0.1173 0.0829 ( 800 PWs) bands (ev): -40.1192 -40.1192 -15.7777 -15.7777 -13.3599 -13.3599 -13.1644 -13.1644 8.2642 8.2642 16.9217 16.9217 17.4344 17.4344 17.4883 17.4883 20.4189 20.4189 20.4401 20.4401 22.1592 22.1592 25.6539 25.6539 25.6569 25.6569 k = 0.2109 0.1218 0.0861 ( 800 PWs) bands (ev): -40.1166 -40.1166 -15.7855 -15.7855 -13.3742 -13.3742 -13.1665 -13.1665 8.3412 8.3412 16.7958 16.7958 17.3359 17.3359 17.3888 17.3888 20.4860 20.4860 20.5064 20.5064 22.2033 22.2033 25.8383 25.8383 25.8406 25.8406 k = 0.2188 0.1263 0.0893 ( 800 PWs) bands (ev): -40.1139 -40.1139 -15.7935 -15.7935 -13.3886 -13.3886 -13.1687 -13.1687 8.4202 8.4202 16.6697 16.6697 17.2395 17.2395 17.2914 17.2914 20.5551 20.5551 20.5748 20.5748 22.2487 22.2487 26.0224 26.0224 26.0240 26.0240 k = 0.2266 0.1308 0.0925 ( 800 PWs) bands (ev): -40.1112 -40.1112 -15.8016 -15.8016 -13.4030 -13.4030 -13.1709 -13.1709 8.5011 8.5011 16.5436 16.5436 17.1452 17.1452 17.1964 17.1964 20.6261 20.6261 20.6451 20.6451 22.2956 22.2956 26.2060 26.2060 26.2068 26.2068 k = 0.2344 0.1353 0.0957 ( 800 PWs) bands (ev): -40.1085 -40.1085 -15.8098 -15.8098 -13.4175 -13.4175 -13.1730 -13.1730 8.5837 8.5837 16.4174 16.4174 17.0532 17.0532 17.1038 17.1038 20.6988 20.6988 20.7172 20.7172 22.3441 22.3441 26.3890 26.3890 26.3890 26.3890 k = 0.2422 0.1398 0.0989 ( 797 PWs) bands (ev): -40.1057 -40.1057 -15.8180 -15.8180 -13.4318 -13.4318 -13.1752 -13.1752 8.6681 8.6681 16.2914 16.2914 16.9636 16.9636 17.0135 17.0135 20.7731 20.7731 20.7910 20.7910 22.3943 22.3943 26.5704 26.5704 26.5712 26.5712 k = 0.2500 0.1443 0.1021 ( 797 PWs) bands (ev): -40.1029 -40.1029 -15.8263 -15.8263 -13.4461 -13.4461 -13.1774 -13.1774 8.7540 8.7540 16.1656 16.1656 16.8762 16.8762 16.9257 16.9257 20.8489 20.8489 20.8663 20.8663 22.4464 22.4464 26.7508 26.7508 26.7524 26.7524 k = 0.2578 0.1488 0.1053 ( 796 PWs) bands (ev): -40.1001 -40.1001 -15.8347 -15.8347 -13.4603 -13.4603 -13.1796 -13.1796 8.8414 8.8414 16.0401 16.0401 16.7913 16.7913 16.8403 16.8403 20.9259 20.9259 20.9429 20.9429 22.5004 22.5004 26.9301 26.9301 26.9326 26.9326 k = 0.2656 0.1534 0.1084 ( 796 PWs) bands (ev): -40.0974 -40.0974 -15.8431 -15.8431 -13.4744 -13.4744 -13.1818 -13.1818 8.9302 8.9302 15.9150 15.9150 16.7088 16.7088 16.7575 16.7575 21.0041 21.0041 21.0207 21.0207 22.5564 22.5564 27.1081 27.1081 27.1114 27.1114 k = 0.2734 0.1579 0.1116 ( 796 PWs) bands (ev): -40.0947 -40.0947 -15.8515 -15.8515 -13.4883 -13.4883 -13.1840 -13.1840 9.0203 9.0203 15.7904 15.7904 16.6288 16.6288 16.6772 16.6772 21.0832 21.0832 21.0994 21.0994 22.6146 22.6146 27.2846 27.2846 27.2888 27.2888 k = 0.2812 0.1624 0.1148 ( 796 PWs) bands (ev): -40.0920 -40.0920 -15.8599 -15.8599 -13.5020 -13.5020 -13.1862 -13.1862 9.1116 9.1116 15.6663 15.6663 16.5513 16.5513 16.5994 16.5994 21.1631 21.1631 21.1789 21.1789 22.6750 22.6750 27.4593 27.4593 27.4645 27.4645 k = 0.2891 0.1669 0.1180 ( 796 PWs) bands (ev): -40.0893 -40.0893 -15.8683 -15.8683 -13.5155 -13.5155 -13.1883 -13.1883 9.2040 9.2040 15.5429 15.5429 16.4764 16.4764 16.5242 16.5242 21.2436 21.2436 21.2591 21.2591 22.7376 22.7376 27.6322 27.6322 27.6384 27.6384 k = 0.2969 0.1714 0.1212 ( 790 PWs) bands (ev): -40.0864 -40.0864 -15.8765 -15.8765 -13.5286 -13.5286 -13.1904 -13.1904 9.2974 9.2974 15.4201 15.4201 16.4040 16.4040 16.4516 16.4516 21.3246 21.3246 21.3396 21.3396 22.8026 22.8026 27.8029 27.8029 27.8102 27.8102 k = 0.3047 0.1759 0.1244 ( 790 PWs) bands (ev): -40.0838 -40.0838 -15.8847 -15.8847 -13.5415 -13.5415 -13.1924 -13.1924 9.3917 9.3917 15.2980 15.2980 16.3341 16.3341 16.3816 16.3816 21.4057 21.4057 21.4204 21.4204 22.8699 22.8699 27.9714 27.9714 27.9797 27.9797 k = 0.3125 0.1804 0.1276 ( 790 PWs) bands (ev): -40.0812 -40.0812 -15.8928 -15.8928 -13.5541 -13.5541 -13.1945 -13.1945 9.4868 9.4868 15.1768 15.1768 16.2669 16.2669 16.3142 16.3142 21.4868 21.4868 21.5012 21.5012 22.9396 22.9396 28.1372 28.1372 28.1466 28.1466 k = 0.3203 0.1849 0.1308 ( 790 PWs) bands (ev): -40.0787 -40.0787 -15.9009 -15.9009 -13.5663 -13.5663 -13.1965 -13.1965 9.5826 9.5826 15.0565 15.0565 16.2023 16.2023 16.2495 16.2495 21.5678 21.5678 21.5817 21.5817 23.0117 23.0117 28.3003 28.3003 28.3108 28.3108 k = 0.3281 0.1894 0.1340 ( 790 PWs) bands (ev): -40.0762 -40.0762 -15.9087 -15.9087 -13.5783 -13.5783 -13.1984 -13.1984 9.6790 9.6790 14.9371 14.9371 16.1403 16.1403 16.1875 16.1875 21.6483 21.6483 21.6618 21.6618 23.0861 23.0861 28.4602 28.4602 28.4720 28.4720 k = 0.3359 0.1940 0.1371 ( 787 PWs) bands (ev): -40.0737 -40.0737 -15.9164 -15.9164 -13.5897 -13.5897 -13.2002 -13.2002 9.7758 9.7758 14.8187 14.8187 16.0810 16.0810 16.1281 16.1281 21.7281 21.7281 21.7412 21.7412 23.1628 23.1628 28.6169 28.6169 28.6299 28.6299 k = 0.3438 0.1985 0.1403 ( 784 PWs) bands (ev): -40.0713 -40.0713 -15.9238 -15.9238 -13.6007 -13.6007 -13.2021 -13.2021 9.8729 9.8729 14.7014 14.7014 16.0244 16.0244 16.0714 16.0714 21.8069 21.8069 21.8197 21.8197 23.2418 23.2418 28.7700 28.7700 28.7842 28.7842 k = 0.3516 0.2030 0.1435 ( 784 PWs) bands (ev): -40.0690 -40.0690 -15.9311 -15.9311 -13.6114 -13.6114 -13.2039 -13.2039 9.9703 9.9703 14.5853 14.5853 15.9704 15.9704 16.0174 16.0174 21.8846 21.8846 21.8969 21.8969 23.3229 23.3229 28.9192 28.9192 28.9347 28.9347 k = 0.3594 0.2075 0.1467 ( 784 PWs) bands (ev): -40.0668 -40.0668 -15.9382 -15.9382 -13.6216 -13.6216 -13.2056 -13.2056 10.0677 10.0677 14.4704 14.4704 15.9191 15.9191 15.9661 15.9661 21.9608 21.9608 21.9727 21.9727 23.4059 23.4059 29.0643 29.0643 29.0811 29.0811 k = 0.3672 0.2120 0.1499 ( 784 PWs) bands (ev): -40.0647 -40.0647 -15.9450 -15.9450 -13.6314 -13.6314 -13.2072 -13.2072 10.1650 10.1650 14.3569 14.3569 15.8706 15.8706 15.9175 15.9175 22.0353 22.0353 22.0467 22.0467 23.4909 23.4909 29.2049 29.2049 29.2230 29.2230 k = 0.3750 0.2165 0.1531 ( 784 PWs) bands (ev): -40.0627 -40.0627 -15.9516 -15.9516 -13.6407 -13.6407 -13.2088 -13.2088 10.2621 10.2621 14.2449 14.2449 15.8247 15.8247 15.8716 15.8716 22.1078 22.1078 22.1186 22.1186 23.5774 23.5774 29.3406 29.3406 29.3599 29.3599 k = 0.3828 0.2210 0.1563 ( 784 PWs) bands (ev): -40.0608 -40.0608 -15.9578 -15.9578 -13.6495 -13.6495 -13.2103 -13.2103 10.3586 10.3586 14.1345 14.1345 15.7816 15.7816 15.8285 15.8285 22.1779 22.1779 22.1883 22.1883 23.6652 23.6652 29.4713 29.4713 29.4742 29.4742 k = 0.3906 0.2255 0.1595 ( 790 PWs) bands (ev): -40.0593 -40.0593 -15.9639 -15.9639 -13.6578 -13.6578 -13.2118 -13.2118 10.4545 10.4545 14.0260 14.0260 15.7413 15.7413 15.7882 15.7882 22.2455 22.2455 22.2553 22.2553 23.7541 23.7541 29.3193 29.3193 29.5964 29.5964 k = 0.3984 0.2300 0.1627 ( 796 PWs) bands (ev): -40.0578 -40.0578 -15.9696 -15.9696 -13.6657 -13.6657 -13.2133 -13.2133 10.5494 10.5494 13.9195 13.9195 15.7037 15.7037 15.7505 15.7505 22.3101 22.3101 22.3194 22.3194 23.8435 23.8435 29.1601 29.1601 29.7156 29.7156 k = 0.4062 0.2345 0.1659 ( 796 PWs) bands (ev): -40.0562 -40.0562 -15.9748 -15.9748 -13.6729 -13.6729 -13.2145 -13.2145 10.6431 10.6431 13.8153 13.8153 15.6688 15.6688 15.7157 15.7157 22.3715 22.3715 22.3802 22.3802 23.9330 23.9330 29.0044 29.0044 29.8286 29.8286 k = 0.4141 0.2391 0.1690 ( 796 PWs) bands (ev): -40.0547 -40.0547 -15.9797 -15.9797 -13.6796 -13.6796 -13.2157 -13.2157 10.7350 10.7350 13.7138 13.7138 15.6367 15.6367 15.6836 15.6836 22.4293 22.4293 22.4375 22.4375 24.0221 24.0221 28.8532 28.8532 29.9350 29.9350 k = 0.4219 0.2436 0.1722 ( 796 PWs) bands (ev): -40.0534 -40.0534 -15.9843 -15.9843 -13.6857 -13.6857 -13.2168 -13.2168 10.8249 10.8249 13.6153 13.6153 15.6074 15.6074 15.6543 15.6543 22.4834 22.4834 22.4910 22.4910 24.1098 24.1098 28.7075 28.7075 30.0342 30.0342 k = 0.4297 0.2481 0.1754 ( 799 PWs) bands (ev): -40.0522 -40.0522 -15.9885 -15.9885 -13.6914 -13.6914 -13.2177 -13.2177 10.9121 10.9121 13.5205 13.5205 15.5808 15.5808 15.6277 15.6277 22.5333 22.5333 22.5405 22.5405 24.1955 24.1955 28.5685 28.5685 30.1259 30.1259 k = 0.4375 0.2526 0.1786 ( 793 PWs) bands (ev): -40.0509 -40.0509 -15.9921 -15.9921 -13.6963 -13.6963 -13.2186 -13.2186 10.9958 10.9958 13.4301 13.4301 15.5570 15.5570 15.6040 15.6040 22.5788 22.5788 22.5855 22.5855 24.2781 24.2781 28.4376 28.4376 30.2096 30.2096 k = 0.4453 0.2571 0.1818 ( 793 PWs) bands (ev): -40.0499 -40.0499 -15.9955 -15.9955 -13.7007 -13.7007 -13.2194 -13.2194 11.0752 11.0752 13.3448 13.3448 15.5361 15.5361 15.5830 15.5830 22.6197 22.6197 22.6259 22.6259 24.3564 24.3564 28.3161 28.3161 30.2849 30.2849 k = 0.4531 0.2616 0.1850 ( 793 PWs) bands (ev): -40.0490 -40.0490 -15.9984 -15.9984 -13.7046 -13.7046 -13.2200 -13.2200 11.1492 11.1492 13.2658 13.2658 15.5179 15.5179 15.5648 15.5648 22.6557 22.6557 22.6615 22.6615 24.4290 24.4290 28.2056 28.2056 30.3513 30.3513 k = 0.4609 0.2661 0.1882 ( 793 PWs) bands (ev): -40.0483 -40.0483 -16.0009 -16.0009 -13.7078 -13.7078 -13.2206 -13.2206 11.2164 11.2164 13.1944 13.1944 15.5025 15.5025 15.5494 15.5494 22.6865 22.6865 22.6920 22.6920 24.4944 24.4944 28.1078 28.1078 30.4084 30.4084 k = 0.4688 0.2706 0.1914 ( 793 PWs) bands (ev): -40.0477 -40.0477 -16.0029 -16.0029 -13.7105 -13.7105 -13.2211 -13.2211 11.2752 11.2752 13.1321 13.1321 15.4899 15.4899 15.5368 15.5368 22.7120 22.7120 22.7172 22.7172 24.5511 24.5511 28.0245 28.0245 30.4557 30.4557 k = 0.4766 0.2751 0.1946 ( 793 PWs) bands (ev): -40.0472 -40.0472 -16.0045 -16.0045 -13.7126 -13.7126 -13.2215 -13.2215 11.3238 11.3238 13.0809 13.0809 15.4801 15.4801 15.5270 15.5270 22.7321 22.7321 22.7369 22.7369 24.5974 24.5974 27.9574 27.9574 30.4930 30.4930 k = 0.4844 0.2797 0.1977 ( 793 PWs) bands (ev): -40.0469 -40.0469 -16.0057 -16.0057 -13.7141 -13.7141 -13.2217 -13.2217 11.3604 11.3604 13.0424 13.0424 15.4730 15.4730 15.5200 15.5200 22.7464 22.7464 22.7512 22.7512 24.6317 24.6317 27.9081 27.9081 30.5198 30.5198 k = 0.4922 0.2842 0.2009 ( 793 PWs) bands (ev): -40.0467 -40.0467 -16.0063 -16.0063 -13.7150 -13.7150 -13.2219 -13.2219 11.3831 11.3831 13.0186 13.0186 15.4688 15.4688 15.5158 15.5158 22.7551 22.7551 22.7597 22.7597 24.6529 24.6529 27.8779 27.8779 30.5360 30.5360 k = 0.5000 0.2887 0.2041 ( 796 PWs) bands (ev): -40.0467 -40.0467 -16.0066 -16.0066 -13.7153 -13.7153 -13.2220 -13.2220 11.3908 11.3908 13.0105 13.0105 15.4674 15.4674 15.5144 15.5144 22.7580 22.7580 22.7626 22.7626 24.6601 24.6601 27.8677 27.8677 30.5414 30.5414 k = 0.5000 0.2887 0.2041 ( 796 PWs) bands (ev): -40.0467 -40.0467 -16.0066 -16.0066 -13.7153 -13.7153 -13.2220 -13.2220 11.3908 11.3908 13.0105 13.0105 15.4674 15.4674 15.5144 15.5144 22.7580 22.7580 22.7626 22.7626 24.6601 24.6601 27.8677 27.8677 30.5414 30.5414 k = 0.5028 0.2807 0.2087 ( 792 PWs) bands (ev): -40.0465 -40.0465 -16.0066 -16.0066 -13.7153 -13.7153 -13.2222 -13.2222 11.3884 11.3884 13.0125 13.0125 15.4690 15.4690 15.5160 15.5160 22.7566 22.7566 22.7616 22.7616 24.6586 24.6586 27.8730 27.8730 30.5379 30.5379 k = 0.5056 0.2726 0.2132 ( 790 PWs) bands (ev): -40.0463 -40.0463 -16.0067 -16.0067 -13.7153 -13.7153 -13.2230 -13.2230 11.3813 11.3813 13.0187 13.0187 15.4737 15.4737 15.5209 15.5209 22.7508 22.7508 22.7601 22.7601 24.6540 24.6540 27.8884 27.8884 30.5274 30.5274 k = 0.5083 0.2646 0.2177 ( 790 PWs) bands (ev): -40.0462 -40.0462 -16.0068 -16.0068 -13.7154 -13.7154 -13.2244 -13.2244 11.3694 11.3694 13.0290 13.0290 15.4813 15.4813 15.5290 15.5290 22.7401 22.7401 22.7589 22.7589 24.6465 24.6465 27.9138 27.9138 30.5101 30.5101 k = 0.5111 0.2566 0.2223 ( 789 PWs) bands (ev): -40.0459 -40.0459 -16.0070 -16.0070 -13.7155 -13.7155 -13.2263 -13.2263 11.3529 11.3529 13.0434 13.0434 15.4916 15.4916 15.5404 15.5404 22.7251 22.7251 22.7574 22.7574 24.6361 24.6361 27.9488 27.9488 30.4862 30.4862 k = 0.5139 0.2486 0.2268 ( 789 PWs) bands (ev): -40.0456 -40.0456 -16.0072 -16.0072 -13.7156 -13.7156 -13.2288 -13.2288 11.3320 11.3320 13.0618 13.0618 15.5045 15.5045 15.5552 15.5552 22.7062 22.7062 22.7557 22.7557 24.6229 24.6229 27.9927 27.9927 30.4562 30.4562 k = 0.5167 0.2406 0.2313 ( 787 PWs) bands (ev): -40.0452 -40.0452 -16.0075 -16.0075 -13.7157 -13.7157 -13.2318 -13.2318 11.3070 11.3070 13.0843 13.0843 15.5197 15.5197 15.5733 15.5733 22.6836 22.6836 22.7537 22.7537 24.6072 24.6072 28.0449 28.0449 30.4204 30.4204 k = 0.5194 0.2325 0.2359 ( 787 PWs) bands (ev): -40.0447 -40.0447 -16.0079 -16.0079 -13.7158 -13.7158 -13.2354 -13.2354 11.2779 11.2779 13.1107 13.1107 15.5371 15.5371 15.5946 15.5946 22.6578 22.6578 22.7514 22.7514 24.5890 24.5890 28.1043 28.1043 30.3792 30.3792 k = 0.5222 0.2245 0.2404 ( 789 PWs) bands (ev): -40.0443 -40.0443 -16.0083 -16.0083 -13.7160 -13.7160 -13.2395 -13.2395 11.2451 11.2451 13.1409 13.1409 15.5566 15.5566 15.6189 15.6189 22.6290 22.6290 22.7489 22.7489 24.5686 24.5686 28.1697 28.1697 30.3330 30.3330 k = 0.5250 0.2165 0.2449 ( 791 PWs) bands (ev): -40.0438 -40.0438 -16.0088 -16.0088 -13.7162 -13.7162 -13.2441 -13.2441 11.2089 11.2089 13.1750 13.1750 15.5781 15.5781 15.6458 15.6458 22.5977 22.5977 22.7462 22.7462 24.5462 24.5462 28.2397 28.2397 30.2819 30.2819 k = 0.5278 0.2085 0.2495 ( 790 PWs) bands (ev): -40.0432 -40.0432 -16.0093 -16.0093 -13.7163 -13.7163 -13.2491 -13.2491 11.1695 11.1695 13.2128 13.2128 15.6016 15.6016 15.6751 15.6751 22.5642 22.5642 22.7434 22.7434 24.5222 24.5222 28.3125 28.3125 30.2259 30.2259 k = 0.5306 0.2005 0.2540 ( 792 PWs) bands (ev): -40.0426 -40.0426 -16.0100 -16.0100 -13.7166 -13.7166 -13.2545 -13.2545 11.1272 11.1272 13.2543 13.2543 15.6271 15.6271 15.7064 15.7064 22.5287 22.5287 22.7405 22.7405 24.4968 24.4968 28.3858 28.3858 30.1652 30.1652 k = 0.5333 0.1925 0.2586 ( 790 PWs) bands (ev): -40.0418 -40.0418 -16.0106 -16.0106 -13.7167 -13.7167 -13.2604 -13.2604 11.0824 11.0824 13.2993 13.2993 15.6546 15.6546 15.7393 15.7393 22.4917 22.4917 22.7376 22.7376 24.4703 24.4703 28.4569 28.4569 30.1002 30.1002 k = 0.5361 0.1844 0.2631 ( 792 PWs) bands (ev): -40.0411 -40.0411 -16.0113 -16.0113 -13.7170 -13.7170 -13.2667 -13.2667 11.0352 11.0352 13.3478 13.3478 15.6841 15.6841 15.7735 15.7735 22.4532 22.4532 22.7348 22.7348 24.4430 24.4430 28.5225 28.5225 30.0310 30.0310 k = 0.5389 0.1764 0.2676 ( 790 PWs) bands (ev): -40.0402 -40.0402 -16.0121 -16.0121 -13.7171 -13.7171 -13.2733 -13.2733 10.9861 10.9861 13.3996 13.3996 15.7155 15.7155 15.8088 15.8088 22.4137 22.4137 22.7322 22.7322 24.4154 24.4154 28.5787 28.5787 29.9581 29.9581 k = 0.5417 0.1684 0.2722 ( 792 PWs) bands (ev): -40.0394 -40.0394 -16.0130 -16.0130 -13.7174 -13.7174 -13.2803 -13.2803 10.9352 10.9352 13.4547 13.4547 15.7487 15.7487 15.8447 15.8447 22.3731 22.3731 22.7297 22.7297 24.3878 24.3878 28.6218 28.6218 29.8818 29.8818 k = 0.5444 0.1604 0.2767 ( 794 PWs) bands (ev): -40.0386 -40.0386 -16.0139 -16.0139 -13.7176 -13.7176 -13.2876 -13.2876 10.8828 10.8828 13.5128 13.5128 15.7837 15.7837 15.8810 15.8810 22.3317 22.3317 22.7275 22.7275 24.3606 24.3606 28.6482 28.6482 29.8024 29.8024 k = 0.5472 0.1524 0.2812 ( 794 PWs) bands (ev): -40.0377 -40.0377 -16.0149 -16.0149 -13.7178 -13.7178 -13.2951 -13.2951 10.8292 10.8292 13.5739 13.5739 15.8203 15.8203 15.9176 15.9176 22.2895 22.2895 22.7258 22.7258 24.3342 24.3342 28.6559 28.6559 29.7202 29.7202 k = 0.5500 0.1443 0.2858 ( 794 PWs) bands (ev): -40.0367 -40.0367 -16.0160 -16.0160 -13.7180 -13.7180 -13.3029 -13.3029 10.7746 10.7746 13.6379 13.6379 15.8584 15.8584 15.9543 15.9543 22.2465 22.2465 22.7244 22.7244 24.3091 24.3091 28.6444 28.6444 29.6354 29.6354 k = 0.5528 0.1363 0.2903 ( 790 PWs) bands (ev): -40.0355 -40.0355 -16.0170 -16.0170 -13.7181 -13.7181 -13.3108 -13.3108 10.7192 10.7192 13.7044 13.7044 15.8979 15.8979 15.9909 15.9909 22.2028 22.2028 22.7236 22.7236 24.2856 24.2856 28.6149 28.6149 29.5482 29.5482 k = 0.5556 0.1283 0.2948 ( 790 PWs) bands (ev): -40.0345 -40.0345 -16.0182 -16.0182 -13.7183 -13.7183 -13.3190 -13.3190 10.6632 10.6632 13.7735 13.7735 15.9384 15.9384 16.0275 16.0275 22.1581 22.1581 22.7235 22.7235 24.2641 24.2641 28.5699 28.5699 29.4588 29.4588 k = 0.5583 0.1203 0.2994 ( 786 PWs) bands (ev): -40.0333 -40.0333 -16.0193 -16.0193 -13.7184 -13.7184 -13.3272 -13.3272 10.6069 10.6069 13.8448 13.8448 15.9797 15.9797 16.0643 16.0643 22.1126 22.1126 22.7240 22.7240 24.2450 24.2450 28.5120 28.5120 29.3673 29.3673 k = 0.5611 0.1123 0.3039 ( 788 PWs) bands (ev): -40.0323 -40.0323 -16.0207 -16.0207 -13.7186 -13.7186 -13.3357 -13.3357 10.5504 10.5504 13.9182 13.9182 16.0211 16.0211 16.1015 16.1015 22.0660 22.0660 22.7254 22.7254 24.2287 24.2287 28.4439 28.4439 29.2739 29.2739 k = 0.5639 0.1042 0.3085 ( 786 PWs) bands (ev): -40.0311 -40.0311 -16.0220 -16.0220 -13.7187 -13.7187 -13.3441 -13.3441 10.4939 10.4939 13.9934 13.9934 16.0620 16.0620 16.1397 16.1397 22.0183 22.0183 22.7276 22.7276 24.2155 24.2155 28.3680 28.3680 29.1787 29.1787 k = 0.5667 0.0962 0.3130 ( 786 PWs) bands (ev): -40.0300 -40.0300 -16.0234 -16.0234 -13.7188 -13.7188 -13.3525 -13.3525 10.4376 10.4376 14.0703 14.0703 16.1014 16.1014 16.1798 16.1798 21.9693 21.9693 22.7308 22.7308 24.2055 24.2055 28.2863 28.2863 29.0816 29.0816 k = 0.5694 0.0882 0.3175 ( 786 PWs) bands (ev): -40.0289 -40.0289 -16.0248 -16.0248 -13.7189 -13.7189 -13.3610 -13.3610 10.3815 10.3815 14.1486 14.1486 16.1385 16.1385 16.2223 16.2223 21.9191 21.9191 22.7350 22.7350 24.1989 24.1989 28.2005 28.2005 28.9830 28.9830 k = 0.5722 0.0802 0.3221 ( 788 PWs) bands (ev): -40.0279 -40.0279 -16.0263 -16.0263 -13.7191 -13.7191 -13.3694 -13.3694 10.3259 10.3259 14.2280 14.2280 16.1729 16.1729 16.2676 16.2676 21.8675 21.8675 22.7404 22.7404 24.1959 24.1959 28.1119 28.1119 28.8827 28.8827 k = 0.5750 0.0722 0.3266 ( 790 PWs) bands (ev): -40.0269 -40.0269 -16.0279 -16.0279 -13.7192 -13.7192 -13.3777 -13.3777 10.2709 10.2709 14.3082 14.3082 16.2049 16.2049 16.3155 16.3155 21.8145 21.8145 22.7469 22.7469 24.1965 24.1965 28.0218 28.0218 28.7810 28.7810 k = 0.5778 0.0642 0.3311 ( 787 PWs) bands (ev): -40.0256 -40.0256 -16.0294 -16.0294 -13.7193 -13.7193 -13.3858 -13.3858 10.2165 10.2165 14.3890 14.3890 16.2346 16.2346 16.3656 16.3656 21.7601 21.7601 22.7547 22.7547 24.2005 24.2005 27.9312 27.9312 28.6778 28.6778 k = 0.5806 0.0561 0.3357 ( 787 PWs) bands (ev): -40.0245 -40.0245 -16.0310 -16.0310 -13.7195 -13.7195 -13.3937 -13.3937 10.1629 10.1629 14.4700 14.4700 16.2625 16.2625 16.4175 16.4175 21.7043 21.7043 22.7638 22.7638 24.2078 24.2078 27.8412 27.8412 28.5732 28.5732 k = 0.5833 0.0481 0.3402 ( 787 PWs) bands (ev): -40.0235 -40.0235 -16.0326 -16.0326 -13.7196 -13.7196 -13.4014 -13.4014 10.1103 10.1103 14.5509 14.5509 16.2890 16.2890 16.4708 16.4708 21.6472 21.6472 22.7743 22.7743 24.2181 24.2181 27.7526 27.7526 28.4672 28.4672 k = 0.5861 0.0401 0.3447 ( 791 PWs) bands (ev): -40.0226 -40.0226 -16.0343 -16.0343 -13.7198 -13.7198 -13.4089 -13.4089 10.0586 10.0586 14.6314 14.6314 16.3144 16.3144 16.5253 16.5253 21.5890 21.5890 22.7862 22.7862 24.2310 24.2310 27.6663 27.6663 28.3600 28.3600 k = 0.5889 0.0321 0.3493 ( 791 PWs) bands (ev): -40.0215 -40.0215 -16.0359 -16.0359 -13.7200 -13.7200 -13.4161 -13.4161 10.0080 10.0080 14.7110 14.7110 16.3389 16.3389 16.5808 16.5808 21.5297 21.5297 22.7995 22.7995 24.2460 24.2460 27.5833 27.5833 28.2515 28.2515 k = 0.5917 0.0241 0.3538 ( 791 PWs) bands (ev): -40.0206 -40.0206 -16.0375 -16.0375 -13.7203 -13.7203 -13.4229 -13.4229 9.9585 9.9585 14.7895 14.7895 16.3626 16.3626 16.6369 16.6369 21.4696 21.4696 22.8143 22.8143 24.2626 24.2626 27.5043 27.5043 28.1419 28.1419 k = 0.5944 0.0160 0.3584 ( 789 PWs) bands (ev): -40.0195 -40.0195 -16.0391 -16.0391 -13.7205 -13.7205 -13.4294 -13.4294 9.9103 9.9103 14.8665 14.8665 16.3859 16.3859 16.6937 16.6937 21.4088 21.4088 22.8307 22.8307 24.2800 24.2800 27.4303 27.4303 28.0311 28.0311 k = 0.5972 0.0080 0.3629 ( 791 PWs) bands (ev): -40.0187 -40.0187 -16.0407 -16.0407 -13.7208 -13.7208 -13.4355 -13.4355 9.8634 9.8634 14.9416 14.9416 16.4087 16.4087 16.7510 16.7510 21.3476 21.3476 22.8485 22.8485 24.2977 24.2977 27.3622 27.3622 27.9192 27.9192 k = 0.6000-0.0000 0.3674 ( 787 PWs) bands (ev): -40.0176 -40.0176 -16.0422 -16.0422 -13.7211 -13.7211 -13.4411 -13.4411 9.8179 9.8179 15.0145 15.0145 16.4313 16.4313 16.8086 16.8086 21.2862 21.2862 22.8679 22.8679 24.3148 24.3148 27.3008 27.3008 27.8064 27.8064 k = 0.6028-0.0080 0.3720 ( 788 PWs) bands (ev): -40.0168 -40.0168 -16.0438 -16.0438 -13.7215 -13.7215 -13.4462 -13.4462 9.7737 9.7737 15.0848 15.0848 16.4537 16.4537 16.8664 16.8664 21.2248 21.2248 22.8887 22.8887 24.3305 24.3305 27.2469 27.2469 27.6926 27.6926 k = 0.6056-0.0160 0.3765 ( 790 PWs) bands (ev): -40.0161 -40.0161 -16.0452 -16.0452 -13.7219 -13.7219 -13.4510 -13.4510 9.7310 9.7310 15.1522 15.1522 16.4759 16.4759 16.9243 16.9243 21.1638 21.1638 22.9110 22.9110 24.3442 24.3442 27.2015 27.2015 27.5779 27.5779 k = 0.6083-0.0241 0.3810 ( 790 PWs) bands (ev): -40.0154 -40.0154 -16.0466 -16.0466 -13.7224 -13.7224 -13.4552 -13.4552 9.6898 9.6898 15.2166 15.2166 16.4978 16.4978 16.9823 16.9823 21.1033 21.1033 22.9347 22.9347 24.3551 24.3551 27.1651 27.1651 27.4626 27.4626 k = 0.6111-0.0321 0.3856 ( 786 PWs) bands (ev): -40.0146 -40.0146 -16.0479 -16.0479 -13.7228 -13.7228 -13.4589 -13.4589 9.6501 9.6501 15.2777 15.2777 16.5194 16.5194 17.0403 17.0403 21.0436 21.0436 22.9598 22.9598 24.3627 24.3627 27.1383 27.1383 27.3467 27.3467 k = 0.6139-0.0401 0.3901 ( 790 PWs) bands (ev): -40.0142 -40.0142 -16.0492 -16.0492 -13.7233 -13.7233 -13.4622 -13.4622 9.6120 9.6120 15.3353 15.3353 16.5405 16.5405 17.0981 17.0981 20.9849 20.9849 22.9861 22.9861 24.3665 24.3665 27.1208 27.1208 27.2311 27.2311 k = 0.6167-0.0481 0.3946 ( 790 PWs) bands (ev): -40.0136 -40.0136 -16.0503 -16.0503 -13.7239 -13.7239 -13.4649 -13.4649 9.5755 9.5755 15.3894 15.3894 16.5609 16.5609 17.1557 17.1557 20.9275 20.9275 23.0136 23.0136 24.3663 24.3663 27.0965 27.0965 27.1322 27.1322 k = 0.6194-0.0561 0.3992 ( 790 PWs) bands (ev): -40.0132 -40.0132 -16.0513 -16.0513 -13.7244 -13.7244 -13.4670 -13.4670 9.5406 9.5406 15.4401 15.4401 16.5802 16.5802 17.2130 17.2130 20.8715 20.8715 23.0421 23.0421 24.3621 24.3621 26.9905 26.9905 27.1251 27.1251 k = 0.6222-0.0642 0.4037 ( 786 PWs) bands (ev): -40.0126 -40.0126 -16.0521 -16.0521 -13.7248 -13.7248 -13.4686 -13.4686 9.5073 9.5073 15.4873 15.4873 16.5981 16.5981 17.2699 17.2699 20.8171 20.8171 23.0715 23.0715 24.3540 24.3540 26.8734 26.8734 27.1390 27.1390 k = 0.6250-0.0722 0.4082 ( 786 PWs) bands (ev): -40.0123 -40.0123 -16.0528 -16.0528 -13.7252 -13.7252 -13.4698 -13.4698 9.4756 9.4756 15.5311 15.5311 16.6143 16.6143 17.3265 17.3265 20.7643 20.7643 23.1016 23.1016 24.3424 24.3424 26.7554 26.7554 27.1637 27.1637 k = 0.6250-0.0722 0.4082 ( 786 PWs) bands (ev): -40.0123 -40.0123 -16.0528 -16.0528 -13.7252 -13.7252 -13.4698 -13.4698 9.4756 9.4756 15.5311 15.5311 16.6143 16.6143 17.3265 17.3265 20.7643 20.7643 23.1016 23.1016 24.3424 24.3424 26.7554 26.7554 27.1637 27.1637 k = 0.6202-0.0694 0.4161 ( 786 PWs) bands (ev): -40.0123 -40.0123 -16.0528 -16.0528 -13.7251 -13.7251 -13.4700 -13.4700 9.4760 9.4760 15.5324 15.5324 16.6137 16.6137 17.3226 17.3226 20.7701 20.7701 23.1015 23.1015 24.3408 24.3408 26.7528 26.7528 27.1628 27.1628 k = 0.6154-0.0666 0.4240 ( 790 PWs) bands (ev): -40.0124 -40.0124 -16.0529 -16.0529 -13.7249 -13.7249 -13.4707 -13.4707 9.4771 9.4771 15.5363 15.5363 16.6121 16.6121 17.3111 17.3111 20.7873 20.7873 23.1014 23.1014 24.3359 24.3359 26.7449 26.7449 27.1601 27.1601 k = 0.6106-0.0638 0.4318 ( 790 PWs) bands (ev): -40.0124 -40.0124 -16.0529 -16.0529 -13.7244 -13.7244 -13.4716 -13.4716 9.4789 9.4789 15.5427 15.5427 16.6095 16.6095 17.2922 17.2922 20.8157 20.8157 23.1011 23.1011 24.3278 24.3278 26.7321 26.7321 27.1556 27.1556 k = 0.6058-0.0611 0.4397 ( 790 PWs) bands (ev): -40.0123 -40.0123 -16.0530 -16.0530 -13.7237 -13.7237 -13.4730 -13.4730 9.4814 9.4814 15.5516 15.5516 16.6058 16.6058 17.2664 17.2664 20.8546 20.8546 23.1006 23.1006 24.3166 24.3166 26.7144 26.7144 27.1493 27.1493 k = 0.6010-0.0583 0.4475 ( 790 PWs) bands (ev): -40.0122 -40.0122 -16.0530 -16.0530 -13.7228 -13.7228 -13.4747 -13.4747 9.4846 9.4846 15.5631 15.5631 16.6010 16.6010 17.2345 17.2345 20.9034 20.9034 23.0999 23.0999 24.3023 24.3023 26.6924 26.6924 27.1412 27.1412 k = 0.5962-0.0555 0.4554 ( 790 PWs) bands (ev): -40.0121 -40.0121 -16.0531 -16.0531 -13.7218 -13.7218 -13.4767 -13.4767 9.4884 9.4884 15.5770 15.5770 16.5953 16.5953 17.1970 17.1970 20.9612 20.9612 23.0989 23.0989 24.2851 24.2851 26.6664 26.6664 27.1313 27.1313 k = 0.5913-0.0527 0.4632 ( 782 PWs) bands (ev): -40.0117 -40.0117 -16.0531 -16.0531 -13.7204 -13.7204 -13.4790 -13.4790 9.4928 9.4928 15.5933 15.5933 16.5885 16.5885 17.1550 17.1550 21.0271 21.0271 23.0975 23.0975 24.2651 24.2651 26.6371 26.6371 27.1196 27.1196 k = 0.5865-0.0500 0.4711 ( 780 PWs) bands (ev): -40.0115 -40.0115 -16.0532 -16.0532 -13.7190 -13.7190 -13.4816 -13.4816 9.4977 9.4977 15.6119 15.6119 16.5808 16.5808 17.1090 17.1090 21.1002 21.1002 23.0956 23.0956 24.2426 24.2426 26.6049 26.6049 27.1061 27.1061 k = 0.5817-0.0472 0.4789 ( 780 PWs) bands (ev): -40.0113 -40.0113 -16.0533 -16.0533 -13.7175 -13.7175 -13.4845 -13.4845 9.5030 9.5030 15.6329 15.6329 16.5722 16.5722 17.0601 17.0601 21.1794 21.1794 23.0930 23.0930 24.2178 24.2178 26.5707 26.5707 27.0908 27.0908 k = 0.5769-0.0444 0.4868 ( 780 PWs) bands (ev): -40.0112 -40.0112 -16.0534 -16.0534 -13.7158 -13.7158 -13.4877 -13.4877 9.5087 9.5087 15.6560 15.6560 16.5626 16.5626 17.0089 17.0089 21.2637 21.2637 23.0895 23.0895 24.1908 24.1908 26.5352 26.5352 27.0737 27.0737 k = 0.5721-0.0416 0.4946 ( 781 PWs) bands (ev): -40.0110 -40.0110 -16.0536 -16.0536 -13.7140 -13.7140 -13.4911 -13.4911 9.5147 9.5147 15.6812 15.6812 16.5521 16.5521 16.9563 16.9563 21.3523 21.3523 23.0849 23.0849 24.1622 24.1622 26.4990 26.4990 27.0548 27.0548 k = 0.5673-0.0389 0.5025 ( 777 PWs) bands (ev): -40.0107 -40.0107 -16.0537 -16.0537 -13.7121 -13.7121 -13.4946 -13.4946 9.5210 9.5210 15.7085 15.7085 16.5407 16.5407 16.9030 16.9030 21.4442 21.4442 23.0790 23.0790 24.1321 24.1321 26.4630 26.4630 27.0341 27.0341 k = 0.5625-0.0361 0.5103 ( 777 PWs) bands (ev): -40.0105 -40.0105 -16.0539 -16.0539 -13.7101 -13.7101 -13.4983 -13.4983 9.5273 9.5273 15.7375 15.7375 16.5283 16.5283 16.8496 16.8496 21.5384 21.5384 23.0714 23.0714 24.1012 24.1012 26.4280 26.4280 27.0116 27.0116 k = 0.5577-0.0333 0.5182 ( 777 PWs) bands (ev): -40.0103 -40.0103 -16.0540 -16.0540 -13.7081 -13.7081 -13.5021 -13.5021 9.5337 9.5337 15.7684 15.7684 16.5150 16.5150 16.7968 16.7968 21.6342 21.6342 23.0618 23.0618 24.0697 24.0697 26.3948 26.3948 26.9874 26.9874 k = 0.5529-0.0305 0.5260 ( 777 PWs) bands (ev): -40.0101 -40.0101 -16.0542 -16.0542 -13.7060 -13.7060 -13.5058 -13.5058 9.5400 9.5400 15.8007 15.8007 16.5007 16.5007 16.7454 16.7454 21.7306 21.7306 23.0497 23.0497 24.0383 24.0383 26.3642 26.3642 26.9614 26.9614 k = 0.5481-0.0278 0.5339 ( 777 PWs) bands (ev): -40.0099 -40.0099 -16.0544 -16.0544 -13.7040 -13.7040 -13.5096 -13.5096 9.5462 9.5462 15.8345 15.8345 16.4851 16.4851 16.6960 16.6960 21.8268 21.8268 23.0347 23.0347 24.0075 24.0075 26.3369 26.3369 26.9337 26.9337 k = 0.5433-0.0250 0.5417 ( 773 PWs) bands (ev): -40.0096 -40.0096 -16.0545 -16.0545 -13.7019 -13.7019 -13.5132 -13.5132 9.5521 9.5521 15.8693 15.8693 16.4680 16.4680 16.6494 16.6494 21.9222 21.9222 23.0164 23.0164 23.9780 23.9780 26.3138 26.3138 26.9045 26.9045 k = 0.5385-0.0222 0.5496 ( 776 PWs) bands (ev): -40.0095 -40.0095 -16.0548 -16.0548 -13.7000 -13.7000 -13.5168 -13.5168 9.5577 9.5577 15.9051 15.9051 16.4489 16.4489 16.6065 16.6065 22.0160 22.0160 22.9942 22.9942 23.9503 23.9503 26.2954 26.2954 26.8738 26.8738 k = 0.5337-0.0194 0.5574 ( 777 PWs) bands (ev): -40.0094 -40.0094 -16.0549 -16.0549 -13.6982 -13.6982 -13.5202 -13.5202 9.5630 9.5630 15.9415 15.9415 16.4276 16.4276 16.5683 16.5683 22.1074 22.1074 22.9678 22.9678 23.9249 23.9249 26.2824 26.2824 26.8418 26.8418 k = 0.5288-0.0167 0.5653 ( 777 PWs) bands (ev): -40.0092 -40.0092 -16.0551 -16.0551 -13.6965 -13.6965 -13.5232 -13.5232 9.5677 9.5677 15.9779 15.9779 16.4037 16.4037 16.5355 16.5355 22.1961 22.1961 22.9367 22.9367 23.9024 23.9024 26.2751 26.2751 26.8089 26.8089 k = 0.5240-0.0139 0.5731 ( 777 PWs) bands (ev): -40.0091 -40.0091 -16.0553 -16.0553 -13.6950 -13.6950 -13.5259 -13.5259 9.5718 9.5718 16.0140 16.0140 16.3778 16.3778 16.5083 16.5083 22.2813 22.2813 22.9007 22.9007 23.8832 23.8832 26.2737 26.2737 26.7754 26.7754 k = 0.5192-0.0111 0.5810 ( 777 PWs) bands (ev): -40.0090 -40.0090 -16.0554 -16.0554 -13.6937 -13.6937 -13.5283 -13.5283 9.5754 9.5754 16.0487 16.0487 16.3512 16.3512 16.4864 16.4864 22.3627 22.3627 22.8596 22.8596 23.8675 23.8675 26.2779 26.2779 26.7421 26.7421 k = 0.5144-0.0083 0.5888 ( 777 PWs) bands (ev): -40.0089 -40.0089 -16.0556 -16.0556 -13.6926 -13.6926 -13.5302 -13.5302 9.5782 9.5782 16.0806 16.0806 16.3259 16.3259 16.4690 16.4690 22.4400 22.4400 22.8135 22.8135 23.8554 23.8554 26.2869 26.2869 26.7103 26.7103 k = 0.5096-0.0056 0.5967 ( 777 PWs) bands (ev): -40.0088 -40.0088 -16.0556 -16.0556 -13.6919 -13.6919 -13.5316 -13.5316 9.5803 9.5803 16.1075 16.1075 16.3046 16.3046 16.4558 16.4558 22.5131 22.5131 22.7624 22.7624 23.8470 23.8470 26.2987 26.2987 26.6821 26.6821 k = 0.5048-0.0028 0.6045 ( 772 PWs) bands (ev): -40.0085 -40.0085 -16.0556 -16.0556 -13.6914 -13.6914 -13.5323 -13.5323 9.5815 9.5815 16.1258 16.1258 16.2905 16.2905 16.4471 16.4471 22.5817 22.5817 22.7067 22.7067 23.8420 23.8420 26.3098 26.3098 26.6613 26.6613 k = 0.5000 0.0000 0.6124 ( 772 PWs) bands (ev): -40.0085 -40.0085 -16.0557 -16.0557 -13.6912 -13.6912 -13.5326 -13.5326 9.5820 9.5820 16.1321 16.1321 16.2860 16.2860 16.4439 16.4439 22.6418 22.6418 22.6508 22.6508 23.8405 23.8405 26.3149 26.3149 26.6530 26.6530 k = 0.5000 0.0000 0.6124 ( 772 PWs) bands (ev): -40.0085 -40.0085 -16.0557 -16.0557 -13.6912 -13.6912 -13.5326 -13.5326 9.5820 9.5820 16.1321 16.1321 16.2860 16.2860 16.4439 16.4439 22.6418 22.6418 22.6508 22.6508 23.8405 23.8405 26.3149 26.3149 26.6530 26.6530 k = 0.5000 0.0056 0.6045 ( 772 PWs) bands (ev): -40.0086 -40.0086 -16.0556 -16.0556 -13.6914 -13.6914 -13.5323 -13.5323 9.5832 9.5832 16.1161 16.1161 16.2941 16.2941 16.4482 16.4482 22.6383 22.6383 22.6484 22.6484 23.8435 23.8435 26.3201 26.3201 26.6563 26.6563 k = 0.5000 0.0111 0.5967 ( 772 PWs) bands (ev): -40.0087 -40.0087 -16.0554 -16.0554 -13.6917 -13.6917 -13.5312 -13.5312 9.5870 9.5870 16.0764 16.0764 16.3102 16.3102 16.4611 16.4611 22.6271 22.6271 22.6424 22.6424 23.8524 23.8524 26.3358 26.3358 26.6662 26.6662 k = 0.5000 0.0167 0.5888 ( 778 PWs) bands (ev): -40.0091 -40.0091 -16.0552 -16.0552 -13.6924 -13.6924 -13.5296 -13.5296 9.5932 9.5932 16.0241 16.0241 16.3245 16.3245 16.4814 16.4814 22.6084 22.6084 22.6337 22.6337 23.8663 23.8663 26.3618 26.3618 26.6827 26.6827 k = 0.5000 0.0222 0.5810 ( 780 PWs) bands (ev): -40.0094 -40.0094 -16.0548 -16.0548 -13.6932 -13.6932 -13.5272 -13.5272 9.6019 9.6019 15.9646 15.9646 16.3342 16.3342 16.5063 16.5063 22.5835 22.5835 22.6222 22.6222 23.8841 23.8841 26.3979 26.3979 26.7055 26.7055 k = 0.5000 0.0278 0.5731 ( 780 PWs) bands (ev): -40.0097 -40.0097 -16.0542 -16.0542 -13.6942 -13.6942 -13.5241 -13.5241 9.6131 9.6131 15.9001 15.9001 16.3403 16.3403 16.5327 16.5327 22.5543 22.5543 22.6080 22.6080 23.9047 23.9047 26.4438 26.4438 26.7345 26.7345 k = 0.5000 0.0333 0.5653 ( 780 PWs) bands (ev): -40.0101 -40.0101 -16.0535 -16.0535 -13.6954 -13.6954 -13.5205 -13.5205 9.6267 9.6267 15.8318 15.8318 16.3438 16.3438 16.5581 16.5581 22.5223 22.5223 22.5913 22.5913 23.9266 23.9266 26.4992 26.4992 26.7696 26.7696 k = 0.5000 0.0389 0.5574 ( 780 PWs) bands (ev): -40.0105 -40.0105 -16.0527 -16.0527 -13.6966 -13.6966 -13.5163 -13.5163 9.6428 9.6428 15.7606 15.7606 16.3456 16.3456 16.5808 16.5808 22.4892 22.4892 22.5723 22.5723 23.9489 23.9489 26.5635 26.5635 26.8104 26.8104 k = 0.5000 0.0444 0.5496 ( 778 PWs) bands (ev): -40.0109 -40.0109 -16.0518 -16.0518 -13.6980 -13.6980 -13.5115 -13.5115 9.6612 9.6612 15.6870 15.6870 16.3462 16.3462 16.6000 16.6000 22.4562 22.4562 22.5513 22.5513 23.9708 23.9708 26.6363 26.6363 26.8568 26.8568 k = 0.5000 0.0500 0.5417 ( 778 PWs) bands (ev): -40.0115 -40.0115 -16.0508 -16.0508 -13.6994 -13.6994 -13.5063 -13.5063 9.6820 9.6820 15.6113 15.6113 16.3458 16.3458 16.6150 16.6150 22.4246 22.4246 22.5286 22.5286 23.9914 23.9914 26.7167 26.7167 26.9086 26.9086 k = 0.5000 0.0555 0.5339 ( 778 PWs) bands (ev): -40.0121 -40.0121 -16.0497 -16.0497 -13.7008 -13.7008 -13.5006 -13.5006 9.7052 9.7052 15.5338 15.5338 16.3445 16.3445 16.6253 16.6253 22.3954 22.3954 22.5048 22.5048 24.0105 24.0105 26.8039 26.8039 26.9655 26.9655 k = 0.5000 0.0611 0.5260 ( 778 PWs) bands (ev): -40.0127 -40.0127 -16.0485 -16.0485 -13.7023 -13.7023 -13.4945 -13.4945 9.7306 9.7306 15.4548 15.4548 16.3423 16.3423 16.6307 16.6307 22.3693 22.3693 22.4800 22.4800 24.0278 24.0278 26.8970 26.8970 27.0277 27.0277 k = 0.5000 0.0666 0.5182 ( 782 PWs) bands (ev): -40.0136 -40.0136 -16.0473 -16.0473 -13.7039 -13.7039 -13.4880 -13.4880 9.7583 9.7583 15.3746 15.3746 16.3393 16.3393 16.6312 16.6312 22.3470 22.3470 22.4547 22.4547 24.0431 24.0431 26.9943 26.9943 27.0955 27.0955 k = 0.5000 0.0722 0.5103 ( 782 PWs) bands (ev): -40.0144 -40.0144 -16.0460 -16.0460 -13.7053 -13.7053 -13.4812 -13.4812 9.7882 9.7882 15.2932 15.2932 16.3353 16.3353 16.6267 16.6267 22.3289 22.3289 22.4293 22.4293 24.0566 24.0566 27.0931 27.0931 27.1708 27.1708 k = 0.5000 0.0777 0.5025 ( 784 PWs) bands (ev): -40.0153 -40.0153 -16.0446 -16.0446 -13.7067 -13.7067 -13.4740 -13.4740 9.8203 9.8203 15.2111 15.2111 16.3302 16.3302 16.6174 16.6174 22.3152 22.3152 22.4040 22.4040 24.0683 24.0683 27.1884 27.1884 27.2574 27.2574 k = 0.5000 0.0833 0.4946 ( 784 PWs) bands (ev): -40.0162 -40.0162 -16.0432 -16.0432 -13.7080 -13.7080 -13.4666 -13.4666 9.8545 9.8545 15.1282 15.1282 16.3241 16.3241 16.6034 16.6034 22.3062 22.3062 22.3795 22.3795 24.0784 24.0784 27.2765 27.2765 27.3579 27.3579 k = 0.5000 0.0888 0.4868 ( 784 PWs) bands (ev): -40.0171 -40.0171 -16.0417 -16.0417 -13.7093 -13.7093 -13.4588 -13.4588 9.8906 9.8906 15.0447 15.0447 16.3168 16.3168 16.5850 16.5850 22.3017 22.3017 22.3558 22.3558 24.0872 24.0872 27.3601 27.3601 27.4687 27.4687 k = 0.5000 0.0944 0.4789 ( 780 PWs) bands (ev): -40.0179 -40.0179 -16.0401 -16.0401 -13.7104 -13.7104 -13.4508 -13.4508 9.9288 9.9288 14.9609 14.9609 16.3081 16.3081 16.5624 16.5624 22.3015 22.3015 22.3338 22.3338 24.0950 24.0950 27.4430 27.4430 27.5851 27.5851 k = 0.5000 0.0999 0.4711 ( 788 PWs) bands (ev): -40.0192 -40.0192 -16.0387 -16.0387 -13.7115 -13.7115 -13.4427 -13.4427 9.9688 9.9688 14.8769 14.8769 16.2979 16.2979 16.5360 16.5360 22.3032 22.3032 22.3157 22.3157 24.1019 24.1019 27.5263 27.5263 27.7048 27.7048 k = 0.5000 0.1055 0.4632 ( 788 PWs) bands (ev): -40.0202 -40.0202 -16.0371 -16.0371 -13.7125 -13.7125 -13.4344 -13.4344 10.0107 10.0107 14.7928 14.7928 16.2862 16.2862 16.5062 16.5062 22.2911 22.2911 22.3173 22.3173 24.1084 24.1084 27.6107 27.6107 27.8266 27.8266 k = 0.5000 0.1110 0.4554 ( 788 PWs) bands (ev): -40.0212 -40.0212 -16.0355 -16.0355 -13.7134 -13.7134 -13.4258 -13.4258 10.0543 10.0543 14.7089 14.7089 16.2728 16.2728 16.4734 16.4734 22.2748 22.2748 22.3289 22.3289 24.1147 24.1147 27.6959 27.6959 27.9496 27.9496 k = 0.5000 0.1166 0.4475 ( 790 PWs) bands (ev): -40.0224 -40.0224 -16.0339 -16.0339 -13.7143 -13.7143 -13.4172 -13.4172 10.0995 10.0995 14.6251 14.6251 16.2576 16.2576 16.4381 16.4381 22.2603 22.2603 22.3444 22.3444 24.1211 24.1211 27.7818 27.7818 28.0732 28.0732 k = 0.5000 0.1221 0.4397 ( 790 PWs) bands (ev): -40.0234 -40.0234 -16.0324 -16.0324 -13.7150 -13.7150 -13.4084 -13.4084 10.1462 10.1462 14.5418 14.5418 16.2404 16.2404 16.4008 16.4008 22.2482 22.2482 22.3628 22.3628 24.1279 24.1279 27.8681 27.8681 28.1968 28.1968 k = 0.5000 0.1277 0.4318 ( 790 PWs) bands (ev): -40.0245 -40.0245 -16.0308 -16.0308 -13.7156 -13.7156 -13.3995 -13.3995 10.1944 10.1944 14.4591 14.4591 16.2210 16.2210 16.3619 16.3619 22.2387 22.2387 22.3837 22.3837 24.1354 24.1354 27.9542 27.9542 28.3201 28.3201 k = 0.5000 0.1332 0.4240 ( 790 PWs) bands (ev): -40.0257 -40.0257 -16.0292 -16.0292 -13.7162 -13.7162 -13.3905 -13.3905 10.2438 10.2438 14.3771 14.3771 16.1993 16.1993 16.3221 16.3221 22.2322 22.2322 22.4065 22.4065 24.1437 24.1437 28.0399 28.0399 28.4427 28.4427 k = 0.5000 0.1388 0.4161 ( 792 PWs) bands (ev): -40.0269 -40.0269 -16.0277 -16.0277 -13.7167 -13.7167 -13.3815 -13.3815 10.2945 10.2945 14.2959 14.2959 16.1750 16.1750 16.2820 16.2820 22.2286 22.2286 22.4306 22.4306 24.1532 24.1532 28.1245 28.1245 28.5641 28.5641 k = 0.5000 0.1443 0.4082 ( 802 PWs) bands (ev): -40.0284 -40.0284 -16.0264 -16.0264 -13.7172 -13.7172 -13.3726 -13.3726 10.3462 10.3462 14.2159 14.2159 16.1479 16.1479 16.2421 16.2421 22.2281 22.2281 22.4557 22.4557 24.1641 24.1641 28.2073 28.2073 28.6842 28.6842 k = 0.5000 0.1499 0.4004 ( 794 PWs) bands (ev): -40.0292 -40.0292 -16.0248 -16.0248 -13.7173 -13.7173 -13.3635 -13.3635 10.3988 10.3988 14.1370 14.1370 16.1177 16.1177 16.2031 16.2031 22.2307 22.2307 22.4812 22.4812 24.1765 24.1765 28.2877 28.2877 28.8025 28.8025 k = 0.5000 0.1554 0.3925 ( 794 PWs) bands (ev): -40.0303 -40.0303 -16.0234 -16.0234 -13.7176 -13.7176 -13.3545 -13.3545 10.4522 10.4522 14.0596 14.0596 16.0846 16.0846 16.1653 16.1653 22.2365 22.2365 22.5066 22.5066 24.1906 24.1906 28.3646 28.3646 28.9189 28.9189 k = 0.5000 0.1610 0.3847 ( 794 PWs) bands (ev): -40.0314 -40.0314 -16.0220 -16.0220 -13.7177 -13.7177 -13.3456 -13.3456 10.5062 10.5062 13.9837 13.9837 16.0488 16.0488 16.1287 16.1287 22.2454 22.2454 22.5317 22.5317 24.2064 24.2064 28.4368 28.4368 29.0331 29.0331 k = 0.5000 0.1665 0.3768 ( 794 PWs) bands (ev): -40.0325 -40.0325 -16.0207 -16.0207 -13.7178 -13.7178 -13.3368 -13.3368 10.5607 10.5607 13.9095 13.9095 16.0111 16.0111 16.0929 16.0929 22.2575 22.2575 22.5560 22.5560 24.2240 24.2240 28.5030 28.5030 29.1449 29.1449 k = 0.5000 0.1721 0.3690 ( 794 PWs) bands (ev): -40.0336 -40.0336 -16.0194 -16.0194 -13.7179 -13.7179 -13.3282 -13.3282 10.6154 10.6154 13.8372 13.8372 15.9722 15.9722 16.0576 16.0576 22.2725 22.2725 22.5793 22.5793 24.2434 24.2434 28.5613 28.5613 29.2540 29.2540 k = 0.5000 0.1776 0.3611 ( 792 PWs) bands (ev): -40.0346 -40.0346 -16.0182 -16.0182 -13.7178 -13.7178 -13.3196 -13.3196 10.6701 10.6701 13.7670 13.7670 15.9331 15.9331 16.0223 16.0223 22.2904 22.2904 22.6013 22.6013 24.2645 24.2645 28.6097 28.6097 29.3603 29.3603 k = 0.5000 0.1832 0.3533 ( 792 PWs) bands (ev): -40.0356 -40.0356 -16.0170 -16.0170 -13.7178 -13.7178 -13.3113 -13.3113 10.7248 10.7248 13.6990 13.6990 15.8941 15.8941 15.9868 15.9868 22.3110 22.3110 22.6218 22.6218 24.2872 24.2872 28.6457 28.6457 29.4634 29.4634 k = 0.5000 0.1887 0.3454 ( 794 PWs) bands (ev): -40.0367 -40.0367 -16.0159 -16.0159 -13.7177 -13.7177 -13.3032 -13.3032 10.7790 10.7790 13.6334 13.6334 15.8558 15.8558 15.9510 15.9510 22.3342 22.3342 22.6407 22.6407 24.3113 24.3113 28.6670 28.6670 29.5633 29.5633 k = 0.5000 0.1943 0.3376 ( 798 PWs) bands (ev): -40.0378 -40.0378 -16.0150 -16.0150 -13.7177 -13.7177 -13.2953 -13.2953 10.8327 10.8327 13.5703 13.5703 15.8185 15.8185 15.9151 15.9151 22.3596 22.3596 22.6579 22.6579 24.3367 24.3367 28.6715 28.6715 29.6598 29.6598 k = 0.5000 0.1999 0.3297 ( 792 PWs) bands (ev): -40.0386 -40.0386 -16.0139 -16.0139 -13.7174 -13.7174 -13.2877 -13.2877 10.8856 10.8856 13.5100 13.5100 15.7825 15.7825 15.8791 15.8791 22.3870 22.3870 22.6735 22.6735 24.3629 24.3629 28.6582 28.6582 29.7525 29.7525 k = 0.5000 0.2054 0.3219 ( 792 PWs) bands (ev): -40.0395 -40.0395 -16.0130 -16.0130 -13.7173 -13.7173 -13.2803 -13.2803 10.9373 10.9373 13.4524 13.4524 15.7479 15.7479 15.8431 15.8431 22.4161 22.4161 22.6874 22.6874 24.3899 24.3899 28.6276 28.6276 29.8414 29.8414 k = 0.5000 0.2110 0.3140 ( 792 PWs) bands (ev): -40.0403 -40.0403 -16.0121 -16.0121 -13.7171 -13.7171 -13.2733 -13.2733 10.9877 10.9877 13.3979 13.3979 15.7150 15.7150 15.8076 15.8076 22.4465 22.4465 22.6997 22.6997 24.4171 24.4171 28.5818 28.5818 29.9260 29.9260 k = 0.5000 0.2165 0.3062 ( 792 PWs) bands (ev): -40.0411 -40.0411 -16.0113 -16.0113 -13.7169 -13.7169 -13.2667 -13.2667 11.0365 11.0365 13.3465 13.3465 15.6838 15.6838 15.7726 15.7726 22.4778 22.4778 22.7104 22.7104 24.4444 24.4444 28.5239 28.5239 30.0063 30.0063 k = 0.5000 0.2221 0.2983 ( 790 PWs) bands (ev): -40.0418 -40.0418 -16.0106 -16.0106 -13.7167 -13.7167 -13.2604 -13.2604 11.0833 11.0833 13.2983 13.2983 15.6544 15.6544 15.7386 15.7386 22.5096 22.5096 22.7198 22.7198 24.4713 24.4713 28.4573 28.4573 30.0818 30.0818 k = 0.5000 0.2276 0.2905 ( 794 PWs) bands (ev): -40.0427 -40.0427 -16.0100 -16.0100 -13.7166 -13.7166 -13.2545 -13.2545 11.1279 11.1279 13.2536 13.2536 15.6270 15.6270 15.7059 15.7059 22.5415 22.5415 22.7278 22.7278 24.4975 24.4975 28.3857 28.3857 30.1523 30.1523 k = 0.5000 0.2332 0.2826 ( 794 PWs) bands (ev): -40.0434 -40.0434 -16.0094 -16.0094 -13.7164 -13.7164 -13.2491 -13.2491 11.1700 11.1700 13.2123 13.2123 15.6015 15.6015 15.6747 15.6747 22.5730 22.5730 22.7347 22.7347 24.5227 24.5227 28.3122 28.3122 30.2175 30.2175 k = 0.5000 0.2387 0.2748 ( 792 PWs) bands (ev): -40.0439 -40.0439 -16.0088 -16.0088 -13.7162 -13.7162 -13.2440 -13.2440 11.2092 11.2092 13.1746 13.1746 15.5780 15.5780 15.6455 15.6455 22.6036 22.6036 22.7404 22.7404 24.5466 24.5466 28.2394 28.2394 30.2769 30.2769 k = 0.5000 0.2443 0.2669 ( 788 PWs) bands (ev): -40.0443 -40.0443 -16.0083 -16.0083 -13.7160 -13.7160 -13.2394 -13.2394 11.2454 11.2454 13.1407 13.1407 15.5565 15.5565 15.6187 15.6187 22.6328 22.6328 22.7453 22.7453 24.5688 24.5688 28.1694 28.1694 30.3305 30.3305 k = 0.5000 0.2498 0.2591 ( 788 PWs) bands (ev): -40.0448 -40.0448 -16.0079 -16.0079 -13.7158 -13.7158 -13.2354 -13.2354 11.2781 11.2781 13.1105 13.1105 15.5370 15.5370 15.5945 15.5945 22.6600 22.6600 22.7493 22.7493 24.5891 24.5891 28.1040 28.1040 30.3782 30.3782 k = 0.5000 0.2554 0.2512 ( 788 PWs) bands (ev): -40.0452 -40.0452 -16.0075 -16.0075 -13.7157 -13.7157 -13.2318 -13.2318 11.3071 11.3071 13.0842 13.0842 15.5196 15.5196 15.5732 15.5732 22.6849 22.6849 22.7525 22.7525 24.6073 24.6073 28.0446 28.0446 30.4201 30.4201 k = 0.5000 0.2609 0.2434 ( 788 PWs) bands (ev): -40.0456 -40.0456 -16.0072 -16.0072 -13.7155 -13.7155 -13.2288 -13.2288 11.3321 11.3321 13.0618 13.0618 15.5044 15.5044 15.5552 15.5552 22.7068 22.7068 22.7551 22.7551 24.6230 24.6230 27.9925 27.9925 30.4561 30.4561 k = 0.5000 0.2665 0.2355 ( 788 PWs) bands (ev): -40.0459 -40.0459 -16.0070 -16.0070 -13.7154 -13.7154 -13.2263 -13.2263 11.3530 11.3530 13.0434 13.0434 15.4916 15.4916 15.5404 15.5404 22.7254 22.7254 22.7572 22.7572 24.6361 24.6361 27.9487 27.9487 30.4862 30.4862 k = 0.5000 0.2720 0.2277 ( 792 PWs) bands (ev): -40.0462 -40.0462 -16.0068 -16.0068 -13.7154 -13.7154 -13.2244 -13.2244 11.3694 11.3694 13.0290 13.0290 15.4812 15.4812 15.5290 15.5290 22.7402 22.7402 22.7588 22.7588 24.6465 24.6465 27.9137 27.9137 30.5101 30.5101 k = 0.5000 0.2776 0.2198 ( 792 PWs) bands (ev): -40.0464 -40.0464 -16.0067 -16.0067 -13.7154 -13.7154 -13.2230 -13.2230 11.3813 11.3813 13.0187 13.0187 15.4737 15.4737 15.5209 15.5209 22.7508 22.7508 22.7601 22.7601 24.6540 24.6540 27.8883 27.8883 30.5274 30.5274 k = 0.5000 0.2831 0.2120 ( 792 PWs) bands (ev): -40.0465 -40.0465 -16.0066 -16.0066 -13.7153 -13.7153 -13.2222 -13.2222 11.3884 11.3884 13.0125 13.0125 15.4690 15.4690 15.5160 15.5160 22.7566 22.7566 22.7616 22.7616 24.6586 24.6586 27.8730 27.8730 30.5379 30.5379 k = 0.5000 0.2887 0.2041 ( 796 PWs) bands (ev): -40.0467 -40.0467 -16.0066 -16.0066 -13.7153 -13.7153 -13.2220 -13.2220 11.3908 11.3908 13.0105 13.0105 15.4674 15.4674 15.5144 15.5144 22.7580 22.7580 22.7626 22.7626 24.6601 24.6601 27.8677 27.8677 30.5414 30.5414 k = 0.5000 0.2887 0.2041 ( 796 PWs) bands (ev): -40.0467 -40.0467 -16.0066 -16.0066 -13.7153 -13.7153 -13.2220 -13.2220 11.3908 11.3908 13.0105 13.0105 15.4674 15.4674 15.5144 15.5144 22.7580 22.7580 22.7626 22.7626 24.6601 24.6601 27.8677 27.8677 30.5414 30.5414 k = 0.4972 0.2871 0.2132 ( 792 PWs) bands (ev): -40.0465 -40.0465 -16.0066 -16.0066 -13.7153 -13.7153 -13.2222 -13.2222 11.3884 11.3884 13.0125 13.0125 15.4690 15.4690 15.5160 15.5160 22.7566 22.7566 22.7616 22.7616 24.6586 24.6586 27.8730 27.8730 30.5379 30.5379 k = 0.4944 0.2855 0.2223 ( 790 PWs) bands (ev): -40.0463 -40.0463 -16.0067 -16.0067 -13.7153 -13.7153 -13.2230 -13.2230 11.3813 11.3813 13.0187 13.0187 15.4737 15.4737 15.5209 15.5209 22.7508 22.7508 22.7601 22.7601 24.6540 24.6540 27.8884 27.8884 30.5274 30.5274 k = 0.4917 0.2839 0.2313 ( 790 PWs) bands (ev): -40.0462 -40.0462 -16.0068 -16.0068 -13.7154 -13.7154 -13.2244 -13.2244 11.3694 11.3694 13.0290 13.0290 15.4813 15.4813 15.5290 15.5290 22.7401 22.7401 22.7589 22.7589 24.6465 24.6465 27.9138 27.9138 30.5101 30.5101 k = 0.4889 0.2823 0.2404 ( 789 PWs) bands (ev): -40.0459 -40.0459 -16.0070 -16.0070 -13.7155 -13.7155 -13.2263 -13.2263 11.3529 11.3529 13.0434 13.0434 15.4916 15.4916 15.5404 15.5404 22.7251 22.7251 22.7574 22.7574 24.6361 24.6361 27.9488 27.9488 30.4862 30.4862 k = 0.4861 0.2807 0.2495 ( 789 PWs) bands (ev): -40.0456 -40.0456 -16.0072 -16.0072 -13.7156 -13.7156 -13.2288 -13.2288 11.3320 11.3320 13.0618 13.0618 15.5045 15.5045 15.5552 15.5552 22.7062 22.7062 22.7557 22.7557 24.6229 24.6229 27.9927 27.9927 30.4562 30.4562 k = 0.4833 0.2791 0.2586 ( 787 PWs) bands (ev): -40.0452 -40.0452 -16.0075 -16.0075 -13.7157 -13.7157 -13.2318 -13.2318 11.3070 11.3070 13.0843 13.0843 15.5197 15.5197 15.5733 15.5733 22.6836 22.6836 22.7537 22.7537 24.6072 24.6072 28.0449 28.0449 30.4204 30.4204 k = 0.4806 0.2774 0.2676 ( 787 PWs) bands (ev): -40.0447 -40.0447 -16.0079 -16.0079 -13.7158 -13.7158 -13.2354 -13.2354 11.2779 11.2779 13.1107 13.1107 15.5371 15.5371 15.5946 15.5946 22.6578 22.6578 22.7514 22.7514 24.5890 24.5890 28.1043 28.1043 30.3792 30.3792 k = 0.4778 0.2758 0.2767 ( 789 PWs) bands (ev): -40.0443 -40.0443 -16.0083 -16.0083 -13.7160 -13.7160 -13.2395 -13.2395 11.2451 11.2451 13.1409 13.1409 15.5566 15.5566 15.6189 15.6189 22.6290 22.6290 22.7489 22.7489 24.5686 24.5686 28.1697 28.1697 30.3330 30.3330 k = 0.4750 0.2742 0.2858 ( 791 PWs) bands (ev): -40.0438 -40.0438 -16.0088 -16.0088 -13.7162 -13.7162 -13.2441 -13.2441 11.2089 11.2089 13.1750 13.1750 15.5781 15.5781 15.6458 15.6458 22.5977 22.5977 22.7462 22.7462 24.5462 24.5462 28.2397 28.2397 30.2819 30.2819 k = 0.4722 0.2726 0.2948 ( 790 PWs) bands (ev): -40.0432 -40.0432 -16.0093 -16.0093 -13.7163 -13.7163 -13.2491 -13.2491 11.1695 11.1695 13.2128 13.2128 15.6016 15.6016 15.6751 15.6751 22.5642 22.5642 22.7434 22.7434 24.5222 24.5222 28.3125 28.3125 30.2259 30.2259 k = 0.4694 0.2710 0.3039 ( 792 PWs) bands (ev): -40.0426 -40.0426 -16.0100 -16.0100 -13.7166 -13.7166 -13.2545 -13.2545 11.1272 11.1272 13.2543 13.2543 15.6271 15.6271 15.7064 15.7064 22.5287 22.5287 22.7405 22.7405 24.4968 24.4968 28.3858 28.3858 30.1652 30.1652 k = 0.4667 0.2694 0.3130 ( 790 PWs) bands (ev): -40.0418 -40.0418 -16.0106 -16.0106 -13.7167 -13.7167 -13.2604 -13.2604 11.0824 11.0824 13.2993 13.2993 15.6546 15.6546 15.7393 15.7393 22.4917 22.4917 22.7376 22.7376 24.4703 24.4703 28.4569 28.4569 30.1002 30.1002 k = 0.4639 0.2678 0.3221 ( 792 PWs) bands (ev): -40.0411 -40.0411 -16.0113 -16.0113 -13.7170 -13.7170 -13.2667 -13.2667 11.0352 11.0352 13.3478 13.3478 15.6841 15.6841 15.7735 15.7735 22.4532 22.4532 22.7348 22.7348 24.4430 24.4430 28.5225 28.5225 30.0310 30.0310 k = 0.4611 0.2662 0.3311 ( 790 PWs) bands (ev): -40.0402 -40.0402 -16.0121 -16.0121 -13.7171 -13.7171 -13.2733 -13.2733 10.9861 10.9861 13.3996 13.3996 15.7155 15.7155 15.8088 15.8088 22.4137 22.4137 22.7322 22.7322 24.4154 24.4154 28.5787 28.5787 29.9581 29.9581 k = 0.4583 0.2646 0.3402 ( 792 PWs) bands (ev): -40.0394 -40.0394 -16.0130 -16.0130 -13.7174 -13.7174 -13.2803 -13.2803 10.9352 10.9352 13.4547 13.4547 15.7487 15.7487 15.8447 15.8447 22.3731 22.3731 22.7297 22.7297 24.3878 24.3878 28.6218 28.6218 29.8818 29.8818 k = 0.4556 0.2630 0.3493 ( 794 PWs) bands (ev): -40.0386 -40.0386 -16.0139 -16.0139 -13.7176 -13.7176 -13.2876 -13.2876 10.8828 10.8828 13.5128 13.5128 15.7837 15.7837 15.8810 15.8810 22.3317 22.3317 22.7275 22.7275 24.3606 24.3606 28.6482 28.6482 29.8024 29.8024 k = 0.4528 0.2614 0.3584 ( 794 PWs) bands (ev): -40.0377 -40.0377 -16.0149 -16.0149 -13.7178 -13.7178 -13.2951 -13.2951 10.8292 10.8292 13.5739 13.5739 15.8203 15.8203 15.9176 15.9176 22.2895 22.2895 22.7257 22.7257 24.3342 24.3342 28.6559 28.6559 29.7202 29.7202 k = 0.4500 0.2598 0.3674 ( 794 PWs) bands (ev): -40.0367 -40.0367 -16.0160 -16.0160 -13.7180 -13.7180 -13.3029 -13.3029 10.7746 10.7746 13.6379 13.6379 15.8584 15.8584 15.9543 15.9543 22.2465 22.2465 22.7244 22.7244 24.3091 24.3091 28.6444 28.6444 29.6354 29.6354 k = 0.4472 0.2582 0.3765 ( 790 PWs) bands (ev): -40.0355 -40.0355 -16.0170 -16.0170 -13.7181 -13.7181 -13.3108 -13.3108 10.7192 10.7192 13.7044 13.7044 15.8979 15.8979 15.9909 15.9909 22.2028 22.2028 22.7236 22.7236 24.2856 24.2856 28.6149 28.6149 29.5482 29.5482 k = 0.4444 0.2566 0.3856 ( 790 PWs) bands (ev): -40.0345 -40.0345 -16.0182 -16.0182 -13.7183 -13.7183 -13.3190 -13.3190 10.6632 10.6632 13.7735 13.7735 15.9384 15.9384 16.0275 16.0275 22.1581 22.1581 22.7235 22.7235 24.2641 24.2641 28.5699 28.5699 29.4588 29.4588 k = 0.4417 0.2550 0.3946 ( 786 PWs) bands (ev): -40.0333 -40.0333 -16.0193 -16.0193 -13.7184 -13.7184 -13.3272 -13.3272 10.6069 10.6069 13.8448 13.8448 15.9797 15.9797 16.0643 16.0643 22.1126 22.1126 22.7240 22.7240 24.2450 24.2450 28.5120 28.5120 29.3673 29.3673 k = 0.4389 0.2534 0.4037 ( 788 PWs) bands (ev): -40.0323 -40.0323 -16.0207 -16.0207 -13.7186 -13.7186 -13.3357 -13.3357 10.5504 10.5504 13.9182 13.9182 16.0211 16.0211 16.1015 16.1015 22.0660 22.0660 22.7254 22.7254 24.2287 24.2287 28.4439 28.4439 29.2739 29.2739 k = 0.4361 0.2518 0.4128 ( 786 PWs) bands (ev): -40.0311 -40.0311 -16.0220 -16.0220 -13.7187 -13.7187 -13.3441 -13.3441 10.4939 10.4939 13.9934 13.9934 16.0620 16.0620 16.1397 16.1397 22.0183 22.0183 22.7276 22.7276 24.2155 24.2155 28.3680 28.3680 29.1787 29.1787 k = 0.4333 0.2502 0.4219 ( 786 PWs) bands (ev): -40.0300 -40.0300 -16.0234 -16.0234 -13.7188 -13.7188 -13.3525 -13.3525 10.4376 10.4376 14.0703 14.0703 16.1014 16.1014 16.1798 16.1798 21.9693 21.9693 22.7308 22.7308 24.2055 24.2055 28.2863 28.2863 29.0816 29.0816 k = 0.4306 0.2486 0.4309 ( 786 PWs) bands (ev): -40.0289 -40.0289 -16.0248 -16.0248 -13.7189 -13.7189 -13.3610 -13.3610 10.3815 10.3815 14.1486 14.1486 16.1385 16.1385 16.2223 16.2223 21.9191 21.9191 22.7350 22.7350 24.1989 24.1989 28.2005 28.2005 28.9830 28.9830 k = 0.4278 0.2470 0.4400 ( 788 PWs) bands (ev): -40.0279 -40.0279 -16.0263 -16.0263 -13.7191 -13.7191 -13.3694 -13.3694 10.3259 10.3259 14.2280 14.2280 16.1729 16.1729 16.2676 16.2676 21.8675 21.8675 22.7404 22.7404 24.1959 24.1959 28.1119 28.1119 28.8827 28.8827 k = 0.4250 0.2454 0.4491 ( 790 PWs) bands (ev): -40.0269 -40.0269 -16.0279 -16.0279 -13.7192 -13.7192 -13.3777 -13.3777 10.2709 10.2709 14.3082 14.3082 16.2049 16.2049 16.3155 16.3155 21.8145 21.8145 22.7469 22.7469 24.1965 24.1965 28.0218 28.0218 28.7810 28.7810 k = 0.4222 0.2438 0.4581 ( 787 PWs) bands (ev): -40.0256 -40.0256 -16.0294 -16.0294 -13.7193 -13.7193 -13.3858 -13.3858 10.2165 10.2165 14.3890 14.3890 16.2346 16.2346 16.3656 16.3656 21.7601 21.7601 22.7547 22.7547 24.2005 24.2005 27.9312 27.9312 28.6778 28.6778 k = 0.4194 0.2422 0.4672 ( 787 PWs) bands (ev): -40.0245 -40.0245 -16.0310 -16.0310 -13.7195 -13.7195 -13.3937 -13.3937 10.1629 10.1629 14.4700 14.4700 16.2625 16.2625 16.4175 16.4175 21.7043 21.7043 22.7638 22.7638 24.2078 24.2078 27.8412 27.8412 28.5732 28.5732 k = 0.4167 0.2406 0.4763 ( 787 PWs) bands (ev): -40.0235 -40.0235 -16.0326 -16.0326 -13.7196 -13.7196 -13.4014 -13.4014 10.1103 10.1103 14.5509 14.5509 16.2890 16.2890 16.4708 16.4708 21.6472 21.6472 22.7743 22.7743 24.2181 24.2181 27.7526 27.7526 28.4672 28.4672 k = 0.4139 0.2390 0.4854 ( 791 PWs) bands (ev): -40.0226 -40.0226 -16.0343 -16.0343 -13.7198 -13.7198 -13.4089 -13.4089 10.0586 10.0586 14.6314 14.6314 16.3144 16.3144 16.5253 16.5253 21.5890 21.5890 22.7862 22.7862 24.2310 24.2310 27.6663 27.6663 28.3600 28.3600 k = 0.4111 0.2374 0.4944 ( 791 PWs) bands (ev): -40.0215 -40.0215 -16.0359 -16.0359 -13.7200 -13.7200 -13.4161 -13.4161 10.0080 10.0080 14.7110 14.7110 16.3389 16.3389 16.5808 16.5808 21.5297 21.5297 22.7995 22.7995 24.2460 24.2460 27.5833 27.5833 28.2515 28.2515 k = 0.4083 0.2358 0.5035 ( 791 PWs) bands (ev): -40.0206 -40.0206 -16.0375 -16.0375 -13.7203 -13.7203 -13.4229 -13.4229 9.9585 9.9585 14.7895 14.7895 16.3626 16.3626 16.6369 16.6369 21.4696 21.4696 22.8143 22.8143 24.2626 24.2626 27.5043 27.5043 28.1419 28.1419 k = 0.4056 0.2341 0.5126 ( 789 PWs) bands (ev): -40.0195 -40.0195 -16.0391 -16.0391 -13.7205 -13.7205 -13.4294 -13.4294 9.9103 9.9103 14.8665 14.8665 16.3859 16.3859 16.6937 16.6937 21.4088 21.4088 22.8307 22.8307 24.2800 24.2800 27.4303 27.4303 28.0311 28.0311 k = 0.4028 0.2325 0.5217 ( 791 PWs) bands (ev): -40.0187 -40.0187 -16.0407 -16.0407 -13.7208 -13.7208 -13.4355 -13.4355 9.8634 9.8634 14.9416 14.9416 16.4087 16.4087 16.7510 16.7510 21.3476 21.3476 22.8485 22.8485 24.2977 24.2977 27.3622 27.3622 27.9192 27.9192 k = 0.4000 0.2309 0.5307 ( 787 PWs) bands (ev): -40.0176 -40.0176 -16.0422 -16.0422 -13.7211 -13.7211 -13.4411 -13.4411 9.8179 9.8179 15.0145 15.0145 16.4313 16.4313 16.8086 16.8086 21.2862 21.2862 22.8679 22.8679 24.3148 24.3148 27.3008 27.3008 27.8064 27.8064 k = 0.3972 0.2293 0.5398 ( 788 PWs) bands (ev): -40.0168 -40.0168 -16.0438 -16.0438 -13.7215 -13.7215 -13.4462 -13.4462 9.7737 9.7737 15.0848 15.0848 16.4537 16.4537 16.8664 16.8664 21.2248 21.2248 22.8887 22.8887 24.3305 24.3305 27.2469 27.2469 27.6926 27.6926 k = 0.3944 0.2277 0.5489 ( 790 PWs) bands (ev): -40.0161 -40.0161 -16.0452 -16.0452 -13.7219 -13.7219 -13.4510 -13.4510 9.7310 9.7310 15.1522 15.1522 16.4759 16.4759 16.9243 16.9243 21.1638 21.1638 22.9110 22.9110 24.3442 24.3442 27.2015 27.2015 27.5779 27.5779 k = 0.3917 0.2261 0.5579 ( 790 PWs) bands (ev): -40.0154 -40.0154 -16.0466 -16.0466 -13.7224 -13.7224 -13.4552 -13.4552 9.6898 9.6898 15.2166 15.2166 16.4978 16.4978 16.9823 16.9823 21.1033 21.1033 22.9347 22.9347 24.3551 24.3551 27.1651 27.1651 27.4626 27.4626 k = 0.3889 0.2245 0.5670 ( 786 PWs) bands (ev): -40.0146 -40.0146 -16.0479 -16.0479 -13.7228 -13.7228 -13.4589 -13.4589 9.6501 9.6501 15.2777 15.2777 16.5194 16.5194 17.0403 17.0403 21.0436 21.0436 22.9598 22.9598 24.3627 24.3627 27.1383 27.1383 27.3467 27.3467 k = 0.3861 0.2229 0.5761 ( 790 PWs) bands (ev): -40.0142 -40.0142 -16.0492 -16.0492 -13.7233 -13.7233 -13.4622 -13.4622 9.6120 9.6120 15.3353 15.3353 16.5405 16.5405 17.0981 17.0981 20.9849 20.9849 22.9861 22.9861 24.3665 24.3665 27.1208 27.1208 27.2311 27.2311 k = 0.3833 0.2213 0.5852 ( 790 PWs) bands (ev): -40.0136 -40.0136 -16.0503 -16.0503 -13.7239 -13.7239 -13.4649 -13.4649 9.5755 9.5755 15.3894 15.3894 16.5609 16.5609 17.1557 17.1557 20.9275 20.9275 23.0136 23.0136 24.3663 24.3663 27.0965 27.0965 27.1322 27.1322 k = 0.3806 0.2197 0.5942 ( 790 PWs) bands (ev): -40.0132 -40.0132 -16.0513 -16.0513 -13.7244 -13.7244 -13.4670 -13.4670 9.5406 9.5406 15.4401 15.4401 16.5802 16.5802 17.2130 17.2130 20.8715 20.8715 23.0421 23.0421 24.3621 24.3621 26.9905 26.9905 27.1251 27.1251 k = 0.3778 0.2181 0.6033 ( 786 PWs) bands (ev): -40.0126 -40.0126 -16.0521 -16.0521 -13.7248 -13.7248 -13.4686 -13.4686 9.5073 9.5073 15.4873 15.4873 16.5981 16.5981 17.2699 17.2699 20.8171 20.8171 23.0715 23.0715 24.3540 24.3540 26.8734 26.8734 27.1390 27.1390 k = 0.3750 0.2165 0.6124 ( 786 PWs) bands (ev): -40.0123 -40.0123 -16.0528 -16.0528 -13.7252 -13.7252 -13.4698 -13.4698 9.4756 9.4756 15.5311 15.5311 16.6143 16.6143 17.3265 17.3265 20.7643 20.7643 23.1016 23.1016 24.3424 24.3424 26.7554 26.7554 27.1637 27.1637 k = 0.6250-0.0722 0.4082 ( 786 PWs) bands (ev): -40.0123 -40.0123 -16.0528 -16.0528 -13.7252 -13.7252 -13.4698 -13.4698 9.4756 9.4756 15.5311 15.5311 16.6143 16.6143 17.3265 17.3265 20.7643 20.7643 23.1016 23.1016 24.3424 24.3424 26.7554 26.7554 27.1637 27.1637 k = 0.6202-0.0805 0.4082 ( 786 PWs) bands (ev): -40.0119 -40.0119 -16.0539 -16.0539 -13.7259 -13.7259 -13.4712 -13.4712 9.4225 9.4225 15.6032 15.6032 16.6406 16.6406 17.4256 17.4256 20.6771 20.6771 23.1534 23.1534 24.3190 24.3190 26.5506 26.5506 27.2141 27.2141 k = 0.6154-0.0888 0.4082 ( 786 PWs) bands (ev): -40.0115 -40.0115 -16.0549 -16.0549 -13.7267 -13.7267 -13.4722 -13.4722 9.3702 9.3702 15.6728 15.6728 16.6673 16.6673 17.5278 17.5278 20.5953 20.5953 23.2035 23.2035 24.2946 24.2946 26.3454 26.3454 27.2629 27.2629 k = 0.6106-0.0972 0.4082 ( 790 PWs) bands (ev): -40.0113 -40.0113 -16.0559 -16.0559 -13.7276 -13.7276 -13.4728 -13.4728 9.3189 9.3189 15.7396 15.7396 16.6942 16.6942 17.6329 17.6329 20.5192 20.5192 23.2520 23.2520 24.2692 24.2692 26.1402 26.1402 27.3100 27.3100 k = 0.6058-0.1055 0.4082 ( 790 PWs) bands (ev): -40.0110 -40.0110 -16.0568 -16.0568 -13.7286 -13.7286 -13.4730 -13.4730 9.2687 9.2687 15.8033 15.8033 16.7211 16.7211 17.7409 17.7409 20.4490 20.4490 23.2987 23.2987 24.2431 24.2431 25.9353 25.9353 27.3552 27.3552 k = 0.6010-0.1138 0.4082 ( 790 PWs) bands (ev): -40.0107 -40.0107 -16.0576 -16.0576 -13.7296 -13.7296 -13.4727 -13.4727 9.2197 9.2197 15.8637 15.8637 16.7481 16.7481 17.8517 17.8517 20.3848 20.3848 23.3436 23.3436 24.2165 24.2165 25.7310 25.7310 27.3986 27.3986 k = 0.5962-0.1221 0.4082 ( 786 PWs) bands (ev): -40.0103 -40.0103 -16.0583 -16.0583 -13.7307 -13.7307 -13.4721 -13.4721 9.1722 9.1722 15.9204 15.9204 16.7749 16.7749 17.9651 17.9651 20.3267 20.3267 23.3867 23.3867 24.1894 24.1894 25.5278 25.5278 27.4401 27.4401 k = 0.5913-0.1305 0.4082 ( 786 PWs) bands (ev): -40.0101 -40.0101 -16.0591 -16.0591 -13.7319 -13.7319 -13.4712 -13.4712 9.1262 9.1262 15.9734 15.9734 16.8014 16.8014 18.0810 18.0810 20.2747 20.2747 23.4278 23.4278 24.1622 24.1622 25.3258 25.3258 27.4796 27.4796 k = 0.5865-0.1388 0.4082 ( 782 PWs) bands (ev): -40.0098 -40.0098 -16.0597 -16.0597 -13.7331 -13.7331 -13.4700 -13.4700 9.0818 9.0818 16.0224 16.0224 16.8275 16.8275 18.1991 18.1991 20.2286 20.2286 23.4669 23.4669 24.1348 24.1348 25.1255 25.1255 27.5171 27.5171 k = 0.5817-0.1471 0.4082 ( 782 PWs) bands (ev): -40.0096 -40.0096 -16.0603 -16.0603 -13.7345 -13.7345 -13.4686 -13.4686 9.0393 9.0393 16.0674 16.0674 16.8530 16.8530 18.3194 18.3194 20.1884 20.1884 23.5039 23.5039 24.1074 24.1074 24.9274 24.9274 27.5525 27.5525 k = 0.5769-0.1554 0.4082 ( 776 PWs) bands (ev): -40.0093 -40.0093 -16.0608 -16.0608 -13.7358 -13.7358 -13.4669 -13.4669 8.9986 8.9986 16.1084 16.1084 16.8779 16.8779 18.4414 18.4414 20.1540 20.1540 23.5388 23.5388 24.0799 24.0799 24.7320 24.7320 27.5858 27.5858 k = 0.5721-0.1638 0.4082 ( 776 PWs) bands (ev): -40.0092 -40.0092 -16.0613 -16.0613 -13.7372 -13.7372 -13.4651 -13.4651 8.9599 8.9599 16.1453 16.1453 16.9020 16.9020 18.5650 18.5650 20.1249 20.1249 23.5714 23.5714 24.0520 24.0520 24.5404 24.5404 27.6170 27.6170 k = 0.5673-0.1721 0.4082 ( 776 PWs) bands (ev): -40.0091 -40.0091 -16.0618 -16.0618 -13.7386 -13.7386 -13.4633 -13.4633 8.9232 8.9232 16.1784 16.1784 16.9251 16.9251 18.6898 18.6898 20.1010 20.1010 23.6016 23.6016 24.0223 24.0223 24.3546 24.3546 27.6461 27.6461 k = 0.5625-0.1804 0.4082 ( 776 PWs) bands (ev): -40.0090 -40.0090 -16.0623 -16.0623 -13.7400 -13.7400 -13.4613 -13.4613 8.8888 8.8888 16.2076 16.2076 16.9473 16.9473 18.8154 18.8154 20.0818 20.0818 23.6292 23.6292 23.9843 23.9843 24.1820 24.1820 27.6730 27.6730 k = 0.5577-0.1887 0.4082 ( 778 PWs) bands (ev): -40.0090 -40.0090 -16.0628 -16.0628 -13.7414 -13.7414 -13.4593 -13.4593 8.8565 8.8565 16.2333 16.2333 16.9683 16.9683 18.9412 18.9412 20.0670 20.0670 23.6531 23.6531 23.9075 23.9075 24.0548 24.0548 27.6979 27.6979 k = 0.5529-0.1971 0.4082 ( 778 PWs) bands (ev): -40.0090 -40.0090 -16.0632 -16.0632 -13.7427 -13.7427 -13.4573 -13.4573 8.8266 8.8266 16.2555 16.2555 16.9882 16.9882 19.0667 19.0667 20.0561 20.0561 23.6674 23.6674 23.7718 23.7718 23.9998 23.9998 27.7206 27.7206 k = 0.5481-0.2054 0.4082 ( 778 PWs) bands (ev): -40.0090 -40.0090 -16.0635 -16.0635 -13.7440 -13.7440 -13.4553 -13.4553 8.7990 8.7990 16.2746 16.2746 17.0066 17.0066 19.1911 19.1911 20.0486 20.0486 23.5833 23.5833 23.7123 23.7123 23.9717 23.9717 27.7412 27.7412 k = 0.5433-0.2137 0.4082 ( 778 PWs) bands (ev): -40.0089 -40.0089 -16.0639 -16.0639 -13.7452 -13.7452 -13.4534 -13.4534 8.7739 8.7739 16.2908 16.2908 17.0237 17.0237 19.3132 19.3132 20.0442 20.0442 23.4259 23.4259 23.7237 23.7237 23.9517 23.9517 27.7597 27.7597 k = 0.5385-0.2221 0.4082 ( 784 PWs) bands (ev): -40.0092 -40.0092 -16.0642 -16.0642 -13.7464 -13.7464 -13.4517 -13.4517 8.7512 8.7512 16.3044 16.3044 17.0392 17.0392 19.4318 19.4318 20.0425 20.0425 23.2694 23.2694 23.7369 23.7369 23.9361 23.9361 27.7762 27.7762 k = 0.5337-0.2304 0.4082 ( 786 PWs) bands (ev): -40.0092 -40.0092 -16.0645 -16.0645 -13.7474 -13.7474 -13.4500 -13.4500 8.7312 8.7312 16.3157 16.3157 17.0532 17.0532 19.5452 19.5452 20.0432 20.0432 23.1203 23.1203 23.7478 23.7478 23.9242 23.9242 27.7906 27.7906 k = 0.5288-0.2387 0.4082 ( 786 PWs) bands (ev): -40.0092 -40.0092 -16.0648 -16.0648 -13.7483 -13.7483 -13.4485 -13.4485 8.7137 8.7137 16.3248 16.3248 17.0654 17.0654 19.6510 19.6510 20.0465 20.0465 22.9813 22.9813 23.7559 23.7559 23.9154 23.9154 27.8030 27.8030 k = 0.5240-0.2470 0.4082 ( 788 PWs) bands (ev): -40.0093 -40.0093 -16.0650 -16.0650 -13.7491 -13.7491 -13.4473 -13.4473 8.6988 8.6988 16.3321 16.3321 17.0759 17.0759 19.7461 19.7461 20.0526 20.0526 22.8553 22.8553 23.7614 23.7614 23.9095 23.9095 27.8135 27.8135 k = 0.5192-0.2554 0.4082 ( 790 PWs) bands (ev): -40.0094 -40.0094 -16.0652 -16.0652 -13.7498 -13.7498 -13.4462 -13.4462 8.6866 8.6866 16.3378 16.3378 17.0846 17.0846 19.8266 19.8266 20.0623 20.0623 22.7452 22.7452 23.7645 23.7645 23.9060 23.9060 27.8220 27.8220 k = 0.5144-0.2637 0.4082 ( 790 PWs) bands (ev): -40.0094 -40.0094 -16.0653 -16.0653 -13.7503 -13.7503 -13.4453 -13.4453 8.6771 8.6771 16.3420 16.3420 17.0914 17.0914 19.8879 19.8879 20.0768 20.0768 22.6542 22.6542 23.7661 23.7661 23.9042 23.9042 27.8286 27.8286 k = 0.5096-0.2720 0.4082 ( 790 PWs) bands (ev): -40.0094 -40.0094 -16.0654 -16.0654 -13.7507 -13.7507 -13.4447 -13.4447 8.6702 8.6702 16.3449 16.3449 17.0963 17.0963 19.9277 19.9277 20.0946 20.0946 22.5858 22.5858 23.7666 23.7666 23.9035 23.9035 27.8332 27.8332 k = 0.5048-0.2803 0.4082 ( 790 PWs) bands (ev): -40.0094 -40.0094 -16.0654 -16.0654 -13.7509 -13.7509 -13.4443 -13.4443 8.6661 8.6661 16.3466 16.3466 17.0993 17.0993 19.9484 19.9484 20.1101 20.1101 22.5433 22.5433 23.7667 23.7667 23.9032 23.9032 27.8360 27.8360 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -40.0094 -40.0094 -16.0654 -16.0654 -13.7510 -13.7510 -13.4442 -13.4442 8.6648 8.6648 16.3471 16.3471 17.1002 17.1002 19.9547 19.9547 20.1162 20.1162 22.5288 22.5288 23.7667 23.7667 23.9032 23.9032 27.8370 27.8370 Writing output data file MoC.save init_run : 0.23s CPU 0.54s WALL ( 1 calls) electrons : 30.40s CPU 33.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.16s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 30.38s CPU 33.05s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 483 calls) cegterg : 27.18s CPU 27.82s WALL ( 483 calls) Called by sum_band: Called by *egterg: h_psi : 13.57s CPU 14.13s WALL ( 4935 calls) s_psi : 0.55s CPU 0.49s WALL ( 4935 calls) g_psi : 0.03s CPU 0.02s WALL ( 3969 calls) cdiaghg : 13.34s CPU 13.71s WALL ( 4452 calls) cegterg:over : 0.78s CPU 0.84s WALL ( 3969 calls) cegterg:upda : 0.61s CPU 0.55s WALL ( 3969 calls) cegterg:last : 0.25s CPU 0.27s WALL ( 1013 calls) cdiaghg:chol : 0.73s CPU 0.68s WALL ( 4452 calls) cdiaghg:inve : 0.22s CPU 0.26s WALL ( 4452 calls) cdiaghg:para : 0.82s CPU 0.88s WALL ( 8904 calls) Called by h_psi: h_psi:vloc : 12.48s CPU 12.96s WALL ( 4935 calls) h_psi:vnl : 1.08s CPU 1.15s WALL ( 4935 calls) add_vuspsi : 0.60s CPU 0.64s WALL ( 4935 calls) General routines calbec : 0.47s CPU 0.50s WALL ( 4935 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.93s CPU 12.34s WALL ( 377460 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.12s WALL ( 966 calls) Parallel routines fft_scatter : 7.08s CPU 7.21s WALL ( 377483 calls) PWSCF : 38.59s CPU 59.79s WALL This run was terminated on: 16:53: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=