Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 1:55 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: ./CsBr.save/ file Br.rel-pbe-n-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 20 5 351 351 55 Max 21 21 6 354 354 59 Sum 721 721 211 12675 12675 2085 bravais-lattice index = 14 lattice parameter (alat) = 5.7207 a.u. unit-cell volume = 132.3833 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.720702 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 Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 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 PseudoPot. # 2 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Cs 9.00 132.90550 Cs( 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 0.3513514), 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 0.6538461), 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 0.2211539 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 0.2788461), 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 0.7163462), 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 0.7163462), 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 0.5913462), 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 0.5913461), 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: 12675 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 90, 24) NL pseudopotentials 0.05 Mb ( 45, 76) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 353) G-vector shells 0.00 Mb ( 142) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 90, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.06 Mb ( 76, 2, 24) The potential is recalculated from file : ./CsBr.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.4 secs Computing kpt #: 13 total cpu time spent up to now is 5.6 secs Computing kpt #: 14 total cpu time 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total cpu time spent up to now is 55.1 secs Computing kpt #: 278 total cpu time spent up to now is 55.3 secs Computing kpt #: 279 total cpu time spent up to now is 55.6 secs Computing kpt #: 280 total cpu time spent up to now is 55.8 secs Computing kpt #: 281 total cpu time spent up to now is 56.0 secs Computing kpt #: 282 total cpu time spent up to now is 56.2 secs Computing kpt #: 283 total cpu time spent up to now is 56.5 secs Computing kpt #: 284 total cpu time spent up to now is 56.6 secs Computing kpt #: 285 total cpu time spent up to now is 56.8 secs Computing kpt #: 286 total cpu time spent up to now is 57.0 secs Computing kpt #: 287 total cpu time spent up to now is 57.2 secs Computing kpt #: 288 total cpu time spent up to now is 57.4 secs Computing kpt #: 289 total cpu time spent up to now is 57.6 secs Computing kpt #: 290 total cpu time spent up to now is 57.8 secs Computing kpt #: 291 total cpu time spent up to now is 58.0 secs Computing kpt #: 292 total cpu time spent up to now is 58.2 secs Computing kpt #: 293 total cpu time spent up to now is 58.4 secs Computing kpt #: 294 total cpu time spent up to now is 58.6 secs Computing kpt #: 295 total cpu time spent up to now is 58.8 secs Computing kpt #: 296 total cpu time spent up to now is 58.9 secs Computing kpt #: 297 total cpu time spent up to now is 59.1 secs Computing kpt #: 298 total cpu time spent up to now is 59.3 secs Computing kpt #: 299 total cpu time spent up to now is 59.5 secs Computing kpt #: 300 total cpu time spent up to now is 59.7 secs Computing kpt #: 301 total cpu time spent up to now is 59.8 secs Computing kpt #: 302 total cpu time spent up to now is 60.0 secs Computing kpt #: 303 total cpu time spent up to now is 60.2 secs Computing kpt #: 304 total cpu time spent up to now is 60.4 secs Computing kpt #: 305 total cpu time spent up to now is 60.6 secs Computing kpt #: 306 total cpu time spent up to now is 60.8 secs Computing kpt #: 307 total cpu time spent up to now is 60.9 secs Computing kpt #: 308 total cpu time spent up to now is 61.1 secs Computing kpt #: 309 total cpu time spent up to now is 61.3 secs Computing kpt #: 310 total cpu time spent up to now is 61.5 secs Computing kpt #: 311 total cpu time spent up to now is 61.7 secs Computing kpt #: 312 total cpu time spent up to now is 61.8 secs Computing kpt #: 313 total cpu time spent up to now is 62.0 secs Computing kpt #: 314 total cpu time spent up to now is 62.2 secs Computing kpt #: 315 total cpu time spent up to now is 62.3 secs Computing kpt #: 316 total cpu time spent up to now is 62.5 secs Computing kpt #: 317 total cpu time spent up to now is 62.7 secs Computing kpt #: 318 total cpu time spent up to now is 62.8 secs Computing kpt #: 319 total cpu time spent up to now is 63.0 secs Computing kpt #: 320 total cpu time spent up to now is 63.2 secs Computing kpt #: 321 total cpu time spent up to now is 63.3 secs Computing kpt #: 322 total cpu time spent up to now is 63.5 secs Computing kpt #: 323 total cpu time spent up to now is 63.7 secs Computing kpt #: 324 total cpu time spent up to now is 63.9 secs Computing kpt #: 325 total cpu time spent up to now is 64.0 secs Computing kpt #: 326 total cpu time spent up to now is 64.2 secs Computing kpt #: 327 total cpu time spent up to now is 64.4 secs Computing kpt #: 328 total cpu time spent up to now is 64.6 secs Computing kpt #: 329 total cpu time spent up to now is 64.8 secs Computing kpt #: 330 total cpu time spent up to now is 64.9 secs Computing kpt #: 331 total cpu time spent up to now is 65.1 secs Computing kpt #: 332 total cpu time spent up to now is 65.3 secs Computing kpt #: 333 total cpu time spent up to now is 65.5 secs Computing kpt #: 334 total cpu time spent up to now is 65.7 secs Computing kpt #: 335 total cpu time spent up to now is 65.9 secs Computing kpt #: 336 total cpu time spent up to now is 66.1 secs Computing kpt #: 337 total cpu time spent up to now is 66.3 secs Computing kpt #: 338 total cpu time spent up to now is 66.5 secs Computing kpt #: 339 total cpu time spent up to now is 66.7 secs Computing kpt #: 340 total cpu time spent up to now is 66.9 secs Computing kpt #: 341 total cpu time spent up to now is 67.1 secs Computing kpt #: 342 total cpu time spent up to now is 67.2 secs Computing kpt #: 343 total cpu time spent up to now is 67.5 secs Computing kpt #: 344 total cpu time spent up to now is 67.7 secs Computing kpt #: 345 total cpu time spent up to now is 67.9 secs Computing kpt #: 346 total cpu time spent up to now is 68.1 secs Computing kpt #: 347 total cpu time spent up to now is 68.3 secs Computing kpt #: 348 total cpu time spent up to now is 68.5 secs Computing kpt #: 349 total cpu time spent up to now is 68.7 secs Computing kpt #: 350 total cpu time spent up to now is 69.0 secs Computing kpt #: 351 total cpu time spent up to now is 69.2 secs Computing kpt #: 352 total cpu time spent up to now is 69.4 secs Computing kpt #: 353 total cpu time spent up to now is 69.6 secs Computing kpt #: 354 total cpu time spent up to now is 69.8 secs Computing kpt #: 355 total cpu time spent up to now is 70.0 secs Computing kpt #: 356 total cpu time spent up to now is 70.3 secs Computing kpt #: 357 total cpu time spent up to now is 70.5 secs Computing kpt #: 358 total cpu time spent up to now is 70.8 secs Computing kpt #: 359 total cpu time spent up to now is 71.1 secs Computing kpt #: 360 total cpu time spent up to now is 71.3 secs Computing kpt #: 361 total cpu time spent up to now is 71.5 secs Computing kpt #: 362 total cpu time spent up to now is 71.8 secs Computing kpt #: 363 total cpu time spent up to now is 72.0 secs Computing kpt #: 364 total cpu time spent up to now is 72.2 secs Computing kpt #: 365 total cpu time spent up to now is 72.4 secs Computing kpt #: 366 total cpu time spent up to now is 72.6 secs Computing kpt #: 367 total cpu time spent up to now is 72.8 secs Computing kpt #: 368 total cpu time spent up to now is 73.0 secs Computing kpt #: 369 total cpu time spent up to now is 73.1 secs Computing kpt #: 370 total cpu time spent up to now is 73.3 secs Computing kpt #: 371 total cpu time spent up to now is 73.5 secs Computing kpt #: 372 total cpu time spent up to now is 73.6 secs Computing kpt #: 373 total cpu time spent up to now is 73.8 secs Computing kpt #: 374 total cpu time spent up to now is 73.9 secs Computing kpt #: 375 total cpu time spent up to now is 74.1 secs Computing kpt #: 376 total cpu time spent up to now is 74.2 secs Computing kpt #: 377 total cpu time spent up to now is 74.4 secs Computing kpt #: 378 total cpu time spent up to now is 74.5 secs Computing kpt #: 379 total cpu time spent up to now is 74.6 secs Computing kpt #: 380 total cpu time spent up to now is 74.8 secs Computing kpt #: 381 total cpu time spent up to now is 74.9 secs Computing kpt #: 382 total cpu time spent up to now is 75.0 secs Computing kpt #: 383 total cpu time spent up to now is 75.2 secs Computing kpt #: 384 total cpu time spent up to now is 75.3 secs Computing kpt #: 385 total cpu time spent up to now is 75.5 secs Computing kpt #: 386 total cpu time spent up to now is 75.6 secs Computing kpt #: 387 total cpu time spent up to now is 75.7 secs Computing kpt #: 388 total cpu time spent up to now is 75.9 secs Computing kpt #: 389 total cpu time spent up to now is 76.0 secs Computing kpt #: 390 total cpu time spent up to now is 76.1 secs Computing kpt #: 391 total cpu time spent up to now is 76.3 secs Computing kpt #: 392 total cpu time spent up to now is 76.4 secs Computing kpt #: 393 total cpu time spent up to now is 76.6 secs Computing kpt #: 394 total cpu time spent up to now is 76.7 secs Computing kpt #: 395 total cpu time spent up to now is 76.8 secs Computing kpt #: 396 total cpu time spent up to now is 77.0 secs Computing kpt #: 397 total cpu time spent up to now is 77.1 secs Computing kpt #: 398 total cpu time spent up to now is 77.3 secs Computing kpt #: 399 total cpu time spent up to now is 77.4 secs Computing kpt #: 400 total cpu time spent up to now is 77.6 secs Computing kpt #: 401 total cpu time spent up to now is 77.7 secs Computing kpt #: 402 total cpu time spent up to now is 77.9 secs Computing kpt #: 403 total cpu time spent up to now is 78.0 secs Computing kpt #: 404 total cpu time spent up to now is 78.2 secs Computing kpt #: 405 total cpu time spent up to now is 78.4 secs Computing kpt #: 406 total cpu time spent up to now is 78.5 secs Computing kpt #: 407 total cpu time spent up to now is 78.7 secs Computing kpt #: 408 total cpu time spent up to now is 78.9 secs Computing kpt #: 409 total cpu time spent up to now is 79.1 secs Computing kpt #: 410 total cpu time spent up to now is 79.3 secs Computing kpt #: 411 total cpu time spent up to now is 79.4 secs Computing kpt #: 412 total cpu time spent up to now is 79.6 secs Computing kpt #: 413 total cpu time spent up to now is 79.8 secs Computing kpt #: 414 total cpu time spent up to now is 80.0 secs Computing kpt #: 415 total cpu time spent up to now is 80.2 secs Computing kpt #: 416 total cpu time spent up to now is 80.4 secs Computing kpt #: 417 total cpu time spent up to now is 80.6 secs Computing kpt #: 418 total cpu time spent up to now is 80.8 secs Computing kpt #: 419 total cpu time spent up to now is 81.1 secs Computing kpt #: 420 total cpu time spent up to now is 81.2 secs Computing kpt #: 421 total cpu time spent up to now is 81.4 secs Computing kpt #: 422 total cpu time spent up to now is 81.6 secs Computing kpt #: 423 total cpu time spent up to now is 81.8 secs Computing kpt #: 424 total cpu time spent up to now is 81.9 secs Computing kpt #: 425 total cpu time spent up to now is 82.1 secs Computing kpt #: 426 total cpu time spent up to now is 82.3 secs Computing kpt #: 427 total cpu time spent up to now is 82.5 secs Computing kpt #: 428 total cpu time spent up to now is 82.7 secs Computing kpt #: 429 total cpu time spent up to now is 82.8 secs Computing kpt #: 430 total cpu time spent up to now is 83.0 secs Computing kpt #: 431 total cpu time spent up to now is 83.2 secs Computing kpt #: 432 total cpu time spent up to now is 83.4 secs Computing kpt #: 433 total cpu time spent up to now is 83.6 secs Computing kpt #: 434 total cpu time spent up to now is 83.7 secs Computing kpt #: 435 total cpu time spent up to now is 83.9 secs Computing kpt #: 436 total cpu time spent up to now is 84.1 secs Computing kpt #: 437 total cpu time spent up to now is 84.3 secs Computing kpt #: 438 total cpu time spent up to now is 84.5 secs Computing kpt #: 439 total cpu time spent up to now is 84.6 secs Computing kpt #: 440 total cpu time spent up to now is 84.8 secs Computing kpt #: 441 total cpu time spent up to now is 85.0 secs Computing kpt #: 442 total cpu time spent up to now is 85.2 secs Computing kpt #: 443 total cpu time spent up to now is 85.4 secs Computing kpt #: 444 total cpu time spent up to now is 85.5 secs Computing kpt #: 445 total cpu time spent up to now is 85.7 secs Computing kpt #: 446 total cpu time spent up to now is 85.9 secs Computing kpt #: 447 total cpu time spent up to now is 86.0 secs Computing kpt #: 448 total cpu time spent up to now is 86.2 secs Computing kpt #: 449 total cpu time spent up to now is 86.4 secs Computing kpt #: 450 total cpu time spent up to now is 86.6 secs Computing kpt #: 451 total cpu time spent up to now is 86.7 secs Computing kpt #: 452 total cpu time spent up to now is 86.9 secs Computing kpt #: 453 total cpu time spent up to now is 87.1 secs Computing kpt #: 454 total cpu time spent up to now is 87.3 secs Computing kpt #: 455 total cpu time spent up to now is 87.5 secs Computing kpt #: 456 total cpu time spent up to now is 87.6 secs Computing kpt #: 457 total cpu time spent up to now is 87.8 secs Computing kpt #: 458 total cpu time spent up to now is 88.0 secs Computing kpt #: 459 total cpu time spent up to now is 88.2 secs Computing kpt #: 460 total cpu time spent up to now is 88.5 secs Computing kpt #: 461 total cpu time spent up to now is 88.7 secs Computing kpt #: 462 total cpu time spent up to now is 89.0 secs Computing kpt #: 463 total cpu time spent up to now is 89.2 secs Computing kpt #: 464 total cpu time spent up to now is 89.3 secs Computing kpt #: 465 total cpu time spent up to now is 89.5 secs Computing kpt #: 466 total cpu time spent up to now is 89.7 secs Computing kpt #: 467 total cpu time spent up to now is 89.9 secs Computing kpt #: 468 total cpu time spent up to now is 90.0 secs Computing kpt #: 469 total cpu time spent up to now is 90.2 secs Computing kpt #: 470 total cpu time spent up to now is 90.4 secs Computing kpt #: 471 total cpu time spent up to now is 90.5 secs Computing kpt #: 472 total cpu time spent up to now is 90.7 secs Computing kpt #: 473 total cpu time spent up to now is 90.9 secs Computing kpt #: 474 total cpu time spent up to now is 91.1 secs Computing kpt #: 475 total cpu time spent up to now is 91.3 secs Computing kpt #: 476 total cpu time spent up to now is 91.5 secs Computing kpt #: 477 total cpu time spent up to now is 91.7 secs Computing kpt #: 478 total cpu time spent up to now is 91.9 secs Computing kpt #: 479 total cpu time spent up to now is 92.1 secs Computing kpt #: 480 total cpu time spent up to now is 92.3 secs Computing kpt #: 481 total cpu time spent up to now is 92.5 secs Computing kpt #: 482 total cpu time spent up to now is 92.7 secs Computing kpt #: 483 total cpu time spent up to now is 92.9 secs ethr = 6.25E-08, avg # of iterations = 30.6 total cpu time spent up to now is 92.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1639 PWs) bands (ev): 0.1147 0.1147 19.7528 19.7528 21.0521 21.0521 21.0521 21.0521 24.1955 24.1955 30.5694 30.5694 31.0922 31.0922 31.0922 31.0922 31.1922 31.1922 32.0192 32.0192 32.0192 32.0192 35.0342 35.0342 k = 0.0068-0.0039 0.0055 ( 1639 PWs) bands (ev): 0.1162 0.1162 19.7477 19.7477 21.0407 21.0407 21.0483 21.0483 24.2118 24.2118 30.5595 30.5595 31.0878 31.0878 31.0990 31.0990 31.1925 31.1925 31.9936 31.9936 32.0227 32.0227 35.0449 35.0449 k = 0.0135-0.0078 0.0110 ( 1639 PWs) bands (ev): 0.1207 0.1207 19.7322 19.7322 21.0071 21.0071 21.0371 21.0371 24.2597 24.2597 30.5288 30.5288 31.0715 31.0715 31.1185 31.1185 31.1969 31.1969 31.9222 31.9222 32.0330 32.0330 35.0769 35.0769 k = 0.0203-0.0117 0.0166 ( 1627 PWs) bands (ev): 0.1282 0.1282 19.7066 19.7066 20.9536 20.9536 21.0186 21.0186 24.3374 24.3374 30.4744 30.4744 31.0385 31.0385 31.1482 31.1482 31.2108 31.2108 31.8207 31.8207 32.0506 32.0506 35.1297 35.1297 k = 0.0270-0.0156 0.0221 ( 1627 PWs) bands (ev): 0.1387 0.1387 19.6707 19.6707 20.8831 20.8831 20.9928 20.9928 24.4418 24.4418 30.3901 30.3901 30.9883 30.9883 31.1831 31.1831 31.2352 31.2352 31.7110 31.7110 32.0754 32.0754 35.2010 35.2010 k = 0.0338-0.0195 0.0276 ( 1627 PWs) bands (ev): 0.1522 0.1522 19.6247 19.6247 20.7990 20.7990 20.9600 20.9600 24.5696 24.5696 30.2686 30.2686 30.9233 30.9233 31.2146 31.2146 31.2689 31.2689 31.6203 31.6203 32.1078 32.1078 35.2889 35.2889 k = 0.0405-0.0234 0.0331 ( 1611 PWs) bands (ev): 0.1687 0.1687 19.5689 19.5689 20.7051 20.7051 20.9205 20.9205 24.7176 24.7176 30.1051 30.1051 30.8459 30.8459 31.2295 31.2295 31.3104 31.3104 31.5764 31.5764 32.1488 32.1488 35.3784 35.3784 k = 0.0473-0.0273 0.0386 ( 1599 PWs) bands (ev): 0.1882 0.1882 19.5031 19.5031 20.6033 20.6033 20.8744 20.8744 24.8829 24.8829 29.8980 29.8980 30.7581 30.7581 31.2223 31.2223 31.3582 31.3582 31.5908 31.5908 32.1984 32.1984 35.4061 35.4061 k = 0.0541-0.0312 0.0441 ( 1599 PWs) bands (ev): 0.2107 0.2107 19.4278 19.4278 20.4967 20.4967 20.8221 20.8221 25.0629 25.0629 29.6535 29.6535 30.6618 30.6618 31.2062 31.2062 31.4110 31.4110 31.6496 31.6496 32.2572 32.2572 35.4232 35.4232 k = 0.0608-0.0351 0.0497 ( 1591 PWs) bands (ev): 0.2362 0.2362 19.3435 19.3435 20.3872 20.3872 20.7640 20.7640 25.2556 25.2556 29.3797 29.3797 30.5584 30.5584 31.1946 31.1946 31.4677 31.4677 31.7351 31.7351 32.3262 32.3262 35.4414 35.4414 k = 0.0676-0.0390 0.0552 ( 1591 PWs) bands (ev): 0.2647 0.2647 19.2507 19.2507 20.2761 20.2761 20.7004 20.7004 25.4593 25.4593 29.0839 29.0839 30.4495 30.4495 31.1919 31.1919 31.5275 31.5275 31.8378 31.8378 32.4056 32.4056 35.4614 35.4614 k = 0.0743-0.0429 0.0607 ( 1591 PWs) bands (ev): 0.2962 0.2962 19.1502 19.1502 20.1646 20.1646 20.6317 20.6317 25.6724 25.6724 28.7719 28.7719 30.3361 30.3361 31.1983 31.1983 31.5893 31.5893 31.9535 31.9535 32.4960 32.4960 35.4834 35.4834 k = 0.0811-0.0468 0.0662 ( 1579 PWs) bands (ev): 0.3307 0.3307 19.0428 19.0428 20.0532 20.0532 20.5585 20.5585 25.8940 25.8940 28.4484 28.4484 30.2194 30.2194 31.2130 31.2130 31.6526 31.6526 32.0802 32.0802 32.5977 32.5977 35.5074 35.5074 k = 0.0878-0.0507 0.0717 ( 1583 PWs) bands (ev): 0.3682 0.3682 18.9294 18.9294 19.9422 19.9422 20.4809 20.4809 26.1229 26.1229 28.1161 28.1161 30.0999 30.0999 31.2344 31.2344 31.7167 31.7167 32.2165 32.2165 32.7104 32.7104 35.5334 35.5334 k = 0.0946-0.0546 0.0772 ( 1583 PWs) bands (ev): 0.4086 0.4086 18.8110 18.8110 19.8317 19.8317 20.3994 20.3994 26.3580 26.3580 27.7780 27.7780 29.9785 29.9785 31.2621 31.2621 31.7818 31.7818 32.3617 32.3617 32.8341 32.8341 35.5615 35.5615 k = 0.1014-0.0585 0.0828 ( 1583 PWs) bands (ev): 0.4521 0.4521 18.6885 18.6885 19.7218 19.7218 20.3145 20.3145 26.5978 26.5978 27.4367 27.4367 29.8557 29.8557 31.2953 31.2953 31.8476 31.8476 32.5153 32.5153 32.9682 32.9682 35.5916 35.5916 k = 0.1081-0.0624 0.0883 ( 1587 PWs) bands (ev): 0.4985 0.4985 18.5627 18.5627 19.6124 19.6124 20.2264 20.2264 26.8303 26.8303 27.1049 27.1049 29.7321 29.7321 31.3331 31.3331 31.9140 31.9140 32.6766 32.6766 33.1124 33.1124 35.6238 35.6238 k = 0.1149-0.0663 0.0938 ( 1587 PWs) bands (ev): 0.5479 0.5479 18.4346 18.4346 19.5033 19.5033 20.1355 20.1355 26.7173 26.7173 27.1213 27.1213 29.6082 29.6082 31.3758 31.3758 31.9816 31.9816 32.8454 32.8454 33.2661 33.2661 35.6581 35.6581 k = 0.1216-0.0702 0.0993 ( 1587 PWs) bands (ev): 0.6003 0.6003 18.3048 18.3048 19.3946 19.3946 20.0423 20.0423 26.3743 26.3743 27.3709 27.3709 29.4843 29.4843 31.4227 31.4227 32.0503 32.0503 33.0212 33.0212 33.4286 33.4286 35.6944 35.6944 k = 0.1284-0.0741 0.1048 ( 1587 PWs) bands (ev): 0.6557 0.6557 18.1740 18.1740 19.2861 19.2861 19.9470 19.9470 26.0235 26.0235 27.6319 27.6319 29.3607 29.3607 31.4736 31.4736 32.1204 32.1204 33.2037 33.2037 33.5995 33.5995 35.7328 35.7328 k = 0.1351-0.0780 0.1103 ( 1579 PWs) bands (ev): 0.7140 0.7140 18.0428 18.0428 19.1780 19.1780 19.8502 19.8502 25.6709 25.6709 27.8985 27.8985 29.2377 29.2377 31.5287 31.5287 32.1924 32.1924 33.3925 33.3925 33.7780 33.7780 35.7732 35.7732 k = 0.1419-0.0819 0.1159 ( 1579 PWs) bands (ev): 0.7753 0.7753 17.9116 17.9116 19.0700 19.0700 19.7517 19.7517 25.3176 25.3176 28.1697 28.1697 29.1155 29.1155 31.5871 31.5871 32.2657 32.2657 33.5873 33.5873 33.9638 33.9638 35.8158 35.8158 k = 0.1486-0.0858 0.1214 ( 1591 PWs) bands (ev): 0.8395 0.8395 17.7806 17.7806 18.9621 18.9621 19.6520 19.6520 24.9641 24.9641 28.4449 28.4449 28.9943 28.9943 31.6486 31.6486 32.3405 32.3405 33.7876 33.7876 34.1561 34.1561 35.8604 35.8604 k = 0.1554-0.0897 0.1269 ( 1591 PWs) bands (ev): 0.9067 0.9067 17.6505 17.6505 18.8545 18.8545 19.5515 19.5515 24.6112 24.6112 28.7239 28.7239 28.8744 28.8744 31.7139 31.7139 32.4176 32.4176 33.9935 33.9935 34.3547 34.3547 35.9071 35.9071 k = 0.1622-0.0936 0.1324 ( 1591 PWs) bands (ev): 0.9769 0.9769 17.5216 17.5216 18.7473 18.7473 19.4503 19.4503 24.2590 24.2590 28.7558 28.7558 29.0065 29.0065 31.7825 31.7825 32.4967 32.4967 34.2045 34.2045 34.5591 34.5591 35.9558 35.9558 k = 0.1689-0.0975 0.1379 ( 1591 PWs) bands (ev): 1.0499 1.0499 17.3939 17.3939 18.6405 18.6405 19.3488 19.3488 23.9077 23.9077 28.6386 28.6386 29.2925 29.2925 31.8544 31.8544 32.5780 32.5780 34.4203 34.4203 34.7689 34.7689 36.0066 36.0066 k = 0.1757-0.1014 0.1434 ( 1591 PWs) bands (ev): 1.1260 1.1260 17.2678 17.2678 18.5341 18.5341 19.2470 19.2470 23.5575 23.5575 28.5231 28.5231 29.5815 29.5815 31.9297 31.9297 32.6614 32.6614 34.6407 34.6407 34.9836 34.9836 36.0596 36.0596 k = 0.1824-0.1053 0.1490 ( 1599 PWs) bands (ev): 1.2049 1.2049 17.1434 17.1434 18.4284 18.4284 19.1453 19.1453 23.2087 23.2087 28.4092 28.4092 29.8735 29.8735 32.0080 32.0080 32.7469 32.7469 34.8652 34.8652 35.2028 35.2028 36.1146 36.1146 k = 0.1892-0.1092 0.1545 ( 1607 PWs) bands (ev): 1.2867 1.2867 17.0208 17.0208 18.3233 18.3233 19.0439 19.0439 22.8615 22.8615 28.2971 28.2971 30.1680 30.1680 32.0895 32.0895 32.8344 32.8344 35.0936 35.0936 35.4260 35.4260 36.1718 36.1718 k = 0.1959-0.1131 0.1600 ( 1607 PWs) bands (ev): 1.3715 1.3715 16.9003 16.9003 18.2190 18.2190 18.9429 18.9429 22.5160 22.5160 28.1870 28.1870 30.4648 30.4648 32.1748 32.1748 32.9245 32.9245 35.3262 35.3262 35.6531 35.6531 36.2316 36.2316 k = 0.2027-0.1170 0.1655 ( 1607 PWs) bands (ev): 1.4591 1.4591 16.7818 16.7818 18.1156 18.1156 18.8424 18.8424 22.1723 22.1723 28.0787 28.0787 30.7634 30.7634 32.2638 32.2638 33.0169 33.0169 35.5624 35.5624 35.8831 35.8831 36.2942 36.2942 k = 0.2095-0.1209 0.1710 ( 1607 PWs) bands (ev): 1.5496 1.5496 16.6656 16.6656 18.0131 18.0131 18.7427 18.7427 21.8306 21.8306 27.9725 27.9725 31.0632 31.0632 32.3568 32.3568 33.1116 33.1116 35.8020 35.8020 36.1138 36.1138 36.3616 36.3616 k = 0.2162-0.1248 0.1765 ( 1603 PWs) bands (ev): 1.6430 1.6430 16.5517 16.5517 17.9116 17.9116 18.6439 18.6439 21.4912 21.4912 27.8683 27.8683 31.3632 31.3632 32.4549 32.4549 33.2084 33.2084 36.0448 36.0448 36.3317 36.3317 36.4472 36.4472 k = 0.2230-0.1287 0.1821 ( 1603 PWs) bands (ev): 1.7392 1.7392 16.4400 16.4400 17.8113 17.8113 18.5462 18.5462 21.1539 21.1539 27.7662 27.7662 31.6614 31.6614 32.5594 32.5594 33.3075 33.3075 36.2906 36.2906 36.4628 36.4628 36.6245 36.6245 k = 0.2297-0.1326 0.1876 ( 1603 PWs) bands (ev): 1.8383 1.8383 16.3307 16.3307 17.7121 17.7121 18.4495 18.4495 20.8191 20.8191 27.6662 27.6662 31.9544 31.9544 32.6738 32.6738 33.4086 33.4086 36.5391 36.5391 36.5415 36.5415 36.8590 36.8590 k = 0.2365-0.1365 0.1931 ( 1611 PWs) bands (ev): 1.9401 1.9401 16.2239 16.2239 17.6142 17.6142 18.3542 18.3542 20.4867 20.4867 27.5684 27.5684 32.2349 32.2349 32.8049 32.8049 33.5118 33.5118 36.6149 36.6149 36.7900 36.7900 37.1029 37.1029 k = 0.2432-0.1404 0.1986 ( 1612 PWs) bands (ev): 2.0448 2.0448 16.1196 16.1196 17.5175 17.5175 18.2602 18.2602 20.1571 20.1571 27.4729 27.4729 32.4886 32.4886 32.9671 32.9671 33.6170 33.6170 36.6889 36.6889 37.0434 37.0434 37.3509 37.3509 k = 0.2500-0.1443 0.2041 ( 1612 PWs) bands (ev): 2.1522 2.1522 16.0177 16.0177 17.4221 17.4221 18.1678 18.1678 19.8303 19.8303 27.3796 27.3796 32.6982 32.6982 33.1772 33.1772 33.7243 33.7243 36.7642 36.7642 37.2989 37.2989 37.6015 37.6015 k = 0.2568-0.1482 0.2096 ( 1612 PWs) bands (ev): 2.2623 2.2623 15.9185 15.9185 17.3279 17.3279 18.0770 18.0770 19.5066 19.5066 27.2885 27.2885 32.8639 32.8639 33.4347 33.4347 33.8334 33.8334 36.8412 36.8412 37.5563 37.5563 37.8544 37.8544 k = 0.2635-0.1521 0.2152 ( 1612 PWs) bands (ev): 2.3752 2.3752 15.8218 15.8218 17.2349 17.2349 17.9878 17.9878 19.1863 19.1863 27.1998 27.1998 33.0026 33.0026 33.7224 33.7224 33.9443 33.9443 36.9199 36.9199 37.8154 37.8154 38.1090 38.1090 k = 0.2703-0.1560 0.2207 ( 1612 PWs) bands (ev): 2.4907 2.4907 15.7278 15.7278 17.1430 17.1430 17.9004 17.9004 18.8695 18.8695 27.1134 27.1134 33.1284 33.1284 34.0259 34.0259 34.0569 34.0569 37.0004 37.0004 38.0759 38.0759 38.3652 38.3652 k = 0.2770-0.1599 0.2262 ( 1612 PWs) bands (ev): 2.6088 2.6088 15.6363 15.6363 17.0517 17.0517 17.8149 17.8149 18.5569 18.5569 27.0294 27.0294 33.2483 33.2483 34.1711 34.1711 34.3378 34.3378 37.0827 37.0827 38.3378 38.3378 38.6227 38.6227 k = 0.2838-0.1638 0.2317 ( 1612 PWs) bands (ev): 2.7296 2.7296 15.5475 15.5475 16.9607 16.9607 17.7313 17.7313 18.2490 18.2490 26.9477 26.9477 33.3654 33.3654 34.2867 34.2867 34.6545 34.6545 37.1668 37.1668 38.6007 38.6007 38.8811 38.8811 k = 0.2905-0.1677 0.2372 ( 1612 PWs) bands (ev): 2.8529 2.8529 15.4613 15.4613 16.8688 16.8688 17.6497 17.6497 17.9471 17.9471 26.8685 26.8685 33.4813 33.4813 34.4038 34.4038 34.9740 34.9740 37.2527 37.2527 38.8644 38.8644 39.1404 39.1404 k = 0.2973-0.1716 0.2427 ( 1612 PWs) bands (ev): 2.9787 2.9787 15.3777 15.3777 16.7742 16.7742 17.5702 17.5702 17.6532 17.6532 26.7916 26.7916 33.5967 33.5967 34.5220 34.5220 35.2950 35.2950 37.3404 37.3404 39.1286 39.1286 39.4002 39.4002 k = 0.3041-0.1755 0.2483 ( 1612 PWs) bands (ev): 3.1069 3.1069 15.2967 15.2967 16.6727 16.6727 17.3716 17.3716 17.4928 17.4928 26.7171 26.7171 33.7120 33.7120 34.6413 34.6413 35.6167 35.6167 37.4298 37.4298 39.3932 39.3932 39.6603 39.6603 k = 0.3108-0.1794 0.2538 ( 1604 PWs) bands (ev): 3.2375 3.2375 15.2184 15.2184 16.5559 16.5559 17.1112 17.1112 17.4175 17.4175 26.6451 26.6451 33.8274 33.8274 34.7617 34.7617 35.9383 35.9383 37.5210 37.5210 39.6582 39.6582 39.9208 39.9208 k = 0.3176-0.1833 0.2593 ( 1588 PWs) bands (ev): 3.3704 3.3704 15.1426 15.1426 16.4078 16.4078 16.8881 16.8881 17.3447 17.3447 26.5755 26.5755 33.9434 33.9434 34.8834 34.8834 36.2590 36.2590 37.6139 37.6139 39.9231 39.9231 40.1814 40.1814 k = 0.3243-0.1872 0.2648 ( 1588 PWs) bands (ev): 3.5055 3.5055 15.0692 15.0692 16.2135 16.2135 16.7171 16.7171 17.2740 17.2740 26.5084 26.5084 34.0587 34.0587 35.0049 35.0049 36.5780 36.5780 37.7084 37.7084 40.1867 40.1867 40.4408 40.4409 k = 0.3311-0.1911 0.2703 ( 1592 PWs) bands (ev): 3.6426 3.6426 14.9981 14.9981 15.9797 15.9797 16.5920 16.5920 17.2056 17.2056 26.4438 26.4438 34.1738 34.1738 35.1268 35.1268 36.8946 36.8946 37.8042 37.8042 40.4497 40.4497 40.6998 40.6998 k = 0.3378-0.1951 0.2758 ( 1600 PWs) bands (ev): 3.7818 3.7818 14.9290 14.9290 15.7255 15.7255 16.4945 16.4945 17.1396 17.1396 26.3816 26.3816 34.2885 34.2885 35.2486 35.2486 37.2080 37.2080 37.9017 37.9017 40.7099 40.7099 40.9564 40.9564 k = 0.3446-0.1990 0.2814 ( 1600 PWs) bands (ev): 3.9229 3.9229 14.8610 14.8610 15.4640 15.4640 16.4121 16.4121 17.0760 17.0760 26.3219 26.3219 34.4028 34.4028 35.3704 35.3704 37.5171 37.5171 38.0009 38.0009 40.9688 40.9688 41.2124 41.2124 k = 0.3514-0.2029 0.2869 ( 1600 PWs) bands (ev): 4.0657 4.0657 14.7920 14.7920 15.2040 15.2040 16.3387 16.3387 17.0149 17.0149 26.2647 26.2647 34.5162 34.5162 35.4918 35.4918 37.8208 37.8208 38.1014 38.1014 41.2250 41.2250 41.4666 41.4666 k = 0.3581-0.2068 0.2924 ( 1600 PWs) bands (ev): 4.2100 4.2100 14.7126 14.7126 14.9578 14.9578 16.2716 16.2716 16.9562 16.9562 26.2100 26.2100 34.6287 34.6287 35.6125 35.6125 38.1180 38.1180 38.2033 38.2033 41.4775 41.4775 41.7186 41.7186 k = 0.3649-0.2107 0.2979 ( 1600 PWs) bands (ev): 4.3557 4.3557 14.5783 14.5783 14.7714 14.7714 16.2093 16.2093 16.9001 16.9001 26.1578 26.1578 34.7398 34.7398 35.7322 35.7322 38.3065 38.3065 38.4072 38.4072 41.7249 41.7249 41.9681 41.9681 k = 0.3716-0.2146 0.3034 ( 1600 PWs) bands (ev): 4.5025 4.5025 14.3586 14.3586 14.6767 14.6767 16.1511 16.1511 16.8466 16.8466 26.1081 26.1081 34.8494 34.8494 35.8506 35.8506 38.4108 38.4108 38.6870 38.6870 41.9654 41.9654 42.2147 42.2147 k = 0.3784-0.2185 0.3089 ( 1608 PWs) bands (ev): 4.6502 4.6502 14.1136 14.1136 14.6141 14.6141 16.0964 16.0964 16.7956 16.7956 26.0610 26.0610 34.9569 34.9569 35.9671 35.9671 38.5159 38.5159 38.9555 38.9555 42.1954 42.1954 42.4573 42.4573 k = 0.3851-0.2224 0.3145 ( 1608 PWs) bands (ev): 4.7985 4.7985 13.8664 13.8664 14.5611 14.5611 16.0451 16.0451 16.7473 16.7473 26.0163 26.0163 35.0623 35.0623 36.0817 36.0817 38.6221 38.6221 39.2113 39.2113 42.4122 42.4122 42.6965 42.6965 k = 0.3919-0.2263 0.3200 ( 1608 PWs) bands (ev): 4.9469 4.9469 13.6222 13.6222 14.5132 14.5132 15.9969 15.9969 16.7015 16.7015 25.9742 25.9742 35.1650 35.1650 36.1938 36.1938 38.7290 38.7290 39.4526 39.4526 42.6125 42.6125 42.9314 42.9314 k = 0.3986-0.2302 0.3255 ( 1608 PWs) bands (ev): 5.0951 5.0951 13.3827 13.3827 14.4691 14.4691 15.9518 15.9518 16.6585 16.6585 25.9346 25.9346 35.2646 35.2646 36.3030 36.3030 38.8363 38.8363 39.6778 39.6778 42.7972 42.7972 43.1614 43.1614 k = 0.4054-0.2341 0.3310 ( 1604 PWs) bands (ev): 5.2426 5.2426 13.1492 13.1492 14.4284 14.4284 15.9097 15.9097 16.6181 16.6181 25.8976 25.8976 35.3609 35.3609 36.4087 36.4087 38.9439 38.9439 39.8858 39.8858 42.9726 42.9726 43.3796 43.3796 k = 0.4122-0.2380 0.3365 ( 1604 PWs) bands (ev): 5.3887 5.3887 12.9224 12.9224 14.3908 14.3908 15.8706 15.8706 16.5804 16.5804 25.8631 25.8631 35.4532 35.4532 36.5106 36.5106 39.0514 39.0514 40.0751 40.0751 43.1437 43.1437 43.4016 43.4016 k = 0.4189-0.2419 0.3420 ( 1608 PWs) bands (ev): 5.5328 5.5328 12.7033 12.7033 14.3560 14.3560 15.8344 15.8344 16.5455 16.5455 25.8311 25.8311 35.5412 35.5412 36.6081 36.6081 39.1583 39.1583 40.2449 40.2449 43.2589 43.2589 43.3145 43.3145 k = 0.4257-0.2458 0.3476 ( 1608 PWs) bands (ev): 5.6741 5.6741 12.4929 12.4929 14.3242 14.3242 15.8011 15.8011 16.5133 16.5133 25.8017 25.8017 35.6245 35.6245 36.7006 36.7006 39.2643 39.2643 40.3965 40.3965 43.1198 43.1198 43.4880 43.4880 k = 0.4324-0.2497 0.3531 ( 1608 PWs) bands (ev): 5.8115 5.8115 12.2922 12.2922 14.2952 14.2952 15.7707 15.7707 16.4838 16.4838 25.7748 25.7748 35.7025 35.7025 36.7876 36.7876 39.3687 39.3687 40.5297 40.5297 42.9851 42.9851 43.6630 43.6630 k = 0.4392-0.2536 0.3586 ( 1608 PWs) bands (ev): 5.9439 5.9439 12.1024 12.1024 14.2690 14.2690 15.7432 15.7432 16.4571 16.4571 25.7505 25.7505 35.7748 35.7748 36.8685 36.8685 39.4708 39.4708 40.6454 40.6454 42.8554 42.8554 43.8377 43.8377 k = 0.4459-0.2575 0.3641 ( 1604 PWs) bands (ev): 6.0699 6.0699 11.9249 11.9249 14.2456 14.2456 15.7186 15.7186 16.4332 16.4332 25.7287 25.7287 35.8411 35.8411 36.9430 36.9430 39.5696 39.5696 40.7450 40.7450 42.7319 42.7319 44.0096 44.0096 k = 0.4527-0.2614 0.3696 ( 1604 PWs) bands (ev): 6.1880 6.1880 11.7614 11.7614 14.2250 14.2250 15.6969 15.6969 16.4121 16.4121 25.7095 25.7095 35.9007 35.9007 37.0101 37.0101 39.6640 39.6640 40.8293 40.8293 42.6155 42.6155 44.1751 44.1751 k = 0.4595-0.2653 0.3751 ( 1604 PWs) bands (ev): 6.2965 6.2965 11.6135 11.6135 14.2072 14.2072 15.6781 15.6781 16.3938 16.3938 25.6929 25.6929 35.9533 35.9533 37.0696 37.0696 39.7525 39.7525 40.8997 40.8997 42.5079 42.5079 44.3311 44.3311 k = 0.4662-0.2692 0.3807 ( 1596 PWs) bands (ev): 6.3933 6.3933 11.4832 11.4832 14.1921 14.1921 15.6622 15.6622 16.3782 16.3782 25.6788 25.6788 35.9985 35.9985 37.1209 37.1209 39.8334 39.8334 40.9575 40.9575 42.4111 42.4111 44.4744 44.4744 k = 0.4730-0.2731 0.3862 ( 1596 PWs) bands (ev): 6.4765 6.4765 11.3727 11.3727 14.1797 14.1797 15.6492 15.6492 16.3655 16.3655 25.6673 25.6673 36.0360 36.0360 37.1635 37.1635 39.9046 39.9046 41.0032 41.0032 42.3267 42.3267 44.5997 44.5997 k = 0.4797-0.2770 0.3917 ( 1596 PWs) bands (ev): 6.5440 6.5440 11.2840 11.2840 14.1701 14.1701 15.6390 15.6390 16.3556 16.3556 25.6583 25.6583 36.0655 36.0655 37.1971 37.1971 39.9637 39.9637 41.0379 41.0379 42.2573 42.2573 44.7037 44.7037 k = 0.4865-0.2809 0.3972 ( 1596 PWs) bands (ev): 6.5938 6.5938 11.2190 11.2190 14.1633 14.1633 15.6318 15.6318 16.3486 16.3486 25.6519 25.6519 36.0868 36.0868 37.2213 37.2213 40.0082 40.0082 41.0623 41.0623 42.2053 42.2053 44.7821 44.7821 k = 0.4932-0.2848 0.4027 ( 1588 PWs) bands (ev): 6.6243 6.6243 11.1793 11.1793 14.1592 14.1592 15.6275 15.6275 16.3443 16.3443 25.6481 25.6481 36.0997 36.0997 37.2360 37.2360 40.0360 40.0360 41.0768 41.0768 42.1735 42.1735 44.8315 44.8315 k = 0.5000-0.2887 0.4082 ( 1588 PWs) bands (ev): 6.6347 6.6347 11.1659 11.1659 14.1578 14.1578 15.6260 15.6260 16.3429 16.3429 25.6468 25.6468 36.1040 36.1040 37.2409 37.2409 40.0454 40.0454 41.0815 41.0815 42.1625 42.1625 44.8482 44.8482 k = 0.5000-0.2887 0.4082 ( 1588 PWs) bands (ev): 6.6347 6.6347 11.1659 11.1659 14.1578 14.1578 15.6260 15.6260 16.3429 16.3429 25.6468 25.6468 36.1040 36.1040 37.2409 37.2409 40.0454 40.0454 41.0815 41.0815 42.1625 42.1625 44.8482 44.8482 k = 0.5000-0.2809 0.4138 ( 1588 PWs) bands (ev): 6.6361 6.6361 11.1673 11.1673 14.1304 14.1304 15.6412 15.6412 16.3542 16.3542 25.6534 25.6534 36.0913 36.0913 37.2247 37.2247 40.0693 40.0693 41.0720 41.0720 42.1492 42.1492 44.8287 44.8287 k = 0.5000-0.2731 0.4193 ( 1588 PWs) bands (ev): 6.6406 6.6406 11.1714 11.1714 14.0536 14.0536 15.6790 15.6790 16.3906 16.3906 25.6731 25.6731 36.0517 36.0517 37.1805 37.1805 40.1380 40.1380 41.0425 41.0425 42.1112 42.1112 44.7759 44.7759 k = 0.5000-0.2653 0.4248 ( 1592 PWs) bands (ev): 6.6480 6.6480 11.1783 11.1783 13.9390 13.9390 15.7212 15.7212 16.4586 16.4586 25.7058 25.7058 35.9808 35.9808 37.1196 37.1196 40.2445 40.2445 40.9906 40.9906 42.0538 42.0538 44.7015 44.7015 k = 0.5000-0.2575 0.4303 ( 1596 PWs) bands (ev): 6.6584 6.6584 11.1879 11.1879 13.7985 13.7985 15.7510 15.7510 16.5634 16.5634 25.7514 25.7514 35.8737 35.8737 37.0562 37.0562 40.3798 40.3798 40.9126 40.9126 41.9850 41.9850 44.6160 44.6160 k = 0.5000-0.2497 0.4358 ( 1600 PWs) bands (ev): 6.6718 6.6718 11.2003 11.2003 13.6413 13.6413 15.7605 15.7605 16.7039 16.7039 25.8097 25.8097 35.7270 35.7270 37.0018 37.0018 40.5348 40.5348 40.8052 40.8052 41.9130 41.9130 44.5259 44.5259 k = 0.5000-0.2419 0.4413 ( 1604 PWs) bands (ev): 6.6881 6.6881 11.2154 11.2154 13.4738 13.4738 15.7501 15.7501 16.8737 16.8737 25.8802 25.8802 35.5423 35.5423 36.9627 36.9627 40.6663 40.6663 40.7031 40.7031 41.8446 41.8446 44.4340 44.4340 k = 0.5000-0.2341 0.4469 ( 1604 PWs) bands (ev): 6.7075 6.7075 11.2332 11.2332 13.3000 13.3000 15.7233 15.7233 17.0657 17.0657 25.9627 25.9627 35.3243 35.3243 36.9401 36.9401 40.4974 40.4974 40.8780 40.8780 41.7832 41.7832 44.3419 44.3419 k = 0.5000-0.2263 0.4524 ( 1612 PWs) bands (ev): 6.7297 6.7297 11.2536 11.2536 13.1226 13.1226 15.6834 15.6834 17.2741 17.2741 26.0567 26.0567 35.0787 35.0787 36.9321 36.9321 40.3010 40.3010 41.0556 41.0556 41.7291 41.7291 44.2499 44.2499 k = 0.5000-0.2185 0.4579 ( 1610 PWs) bands (ev): 6.7550 6.7550 11.2767 11.2767 12.9435 12.9435 15.6331 15.6331 17.4949 17.4949 26.1620 26.1620 34.8119 34.8119 36.9363 36.9363 40.0819 40.0819 41.2328 41.2328 41.6813 41.6813 44.1587 44.1587 k = 0.5000-0.2107 0.4634 ( 1610 PWs) bands (ev): 6.7832 6.7832 11.3024 11.3024 12.7639 12.7639 15.5742 15.5742 17.7254 17.7254 26.2780 26.2780 34.5283 34.5283 36.9504 36.9504 39.8444 39.8444 41.4068 41.4068 41.6377 41.6377 44.0689 44.0689 k = 0.5000-0.2029 0.4689 ( 1612 PWs) bands (ev): 6.8144 6.8144 11.3305 11.3305 12.5850 12.5850 15.5081 15.5081 17.9638 17.9638 26.4043 26.4043 34.2317 34.2317 36.9727 36.9727 39.5922 39.5922 41.5706 41.5706 41.6010 41.6010 43.9808 43.9808 k = 0.5000-0.1951 0.4745 ( 1612 PWs) bands (ev): 6.8486 6.8486 11.3609 11.3609 12.4073 12.4073 15.4358 15.4358 18.2088 18.2088 26.5405 26.5405 33.9248 33.9248 37.0018 37.0018 39.3289 39.3289 41.5512 41.5512 41.7414 41.7414 43.8957 43.8957 k = 0.5000-0.1872 0.4800 ( 1612 PWs) bands (ev): 6.8857 6.8857 11.3932 11.3932 12.2318 12.2318 15.3583 15.3583 18.4596 18.4596 26.6860 26.6860 33.6098 33.6098 37.0368 37.0368 39.0567 39.0567 41.5070 41.5070 41.8975 41.8975 43.8144 43.8144 k = 0.5000-0.1794 0.4855 ( 1606 PWs) bands (ev): 6.9258 6.9258 11.4267 11.4267 12.0595 12.0595 15.2761 15.2761 18.7155 18.7155 26.8405 26.8405 33.2885 33.2885 37.0770 37.0770 38.7787 38.7787 41.4592 41.4592 42.0465 42.0465 43.7378 43.7378 k = 0.5000-0.1716 0.4910 ( 1606 PWs) bands (ev): 6.9688 6.9688 11.4593 11.4593 11.8928 11.8928 15.1899 15.1899 18.9761 18.9761 27.0034 27.0034 32.9618 32.9618 37.1217 37.1217 38.4948 38.4948 41.4065 41.4065 42.1872 42.1872 43.6670 43.6670 k = 0.5000-0.1638 0.4965 ( 1606 PWs) bands (ev): 7.0148 7.0148 11.4821 11.4821 11.7408 11.7408 15.1003 15.1003 19.2409 19.2409 27.1745 27.1745 32.6310 32.6310 37.1702 37.1702 38.2076 38.2076 41.3482 41.3482 42.3196 42.3196 43.6029 43.6029 k = 0.5000-0.1560 0.5020 ( 1602 PWs) bands (ev): 7.0637 7.0637 11.4520 11.4520 11.6466 11.6466 15.0077 15.0077 19.5098 19.5098 27.3530 27.3530 32.2971 32.2971 37.2210 37.2210 37.9195 37.9195 41.2836 41.2836 42.4436 42.4436 43.5462 43.5462 k = 0.5000-0.1482 0.5076 ( 1610 PWs) bands (ev): 7.1156 7.1156 11.3308 11.3308 11.6485 11.6485 14.9126 14.9126 19.7824 19.7824 27.5390 27.5390 31.9604 31.9604 37.2680 37.2680 37.6361 37.6361 41.2120 41.2120 42.5586 42.5586 43.4972 43.4972 k = 0.5000-0.1404 0.5131 ( 1614 PWs) bands (ev): 7.1705 7.1705 11.1795 11.1795 11.6858 11.6858 14.8154 14.8154 20.0586 20.0586 27.7320 27.7320 31.6217 31.6217 37.2439 37.2439 37.4259 37.4259 41.1337 41.1337 42.6649 42.6649 43.4567 43.4567 k = 0.5000-0.1326 0.5186 ( 1614 PWs) bands (ev): 7.2282 7.2282 11.0235 11.0235 11.7331 11.7331 14.7165 14.7165 20.3383 20.3383 27.9315 27.9315 31.2815 31.2815 36.9999 36.9999 37.4389 37.4389 41.0487 41.0487 42.7638 42.7638 43.4247 43.4247 k = 0.5000-0.1248 0.5241 ( 1618 PWs) bands (ev): 7.2889 7.2889 10.8676 10.8676 11.7854 11.7854 14.6163 14.6163 20.6213 20.6213 28.1371 28.1371 30.9402 30.9402 36.7104 36.7104 37.5001 37.5001 40.9571 40.9571 42.8547 42.8547 43.4009 43.4009 k = 0.5000-0.1170 0.5296 ( 1618 PWs) bands (ev): 7.3524 7.3524 10.7135 10.7135 11.8413 11.8413 14.5151 14.5151 20.9076 20.9076 28.3489 28.3489 30.5982 30.5982 36.4153 36.4153 37.5703 37.5703 40.8597 40.8597 42.9382 42.9382 43.3853 43.3853 k = 0.5000-0.1092 0.5351 ( 1614 PWs) bands (ev): 7.4188 7.4188 10.5617 10.5617 11.9003 11.9003 14.4131 14.4131 21.1969 21.1969 28.5663 28.5663 30.2559 30.2559 36.1188 36.1188 37.6455 37.6455 40.7570 40.7570 43.0151 43.0151 43.3774 43.3774 k = 0.5000-0.1014 0.5407 ( 1614 PWs) bands (ev): 7.4881 7.4881 10.4126 10.4126 11.9620 11.9620 14.3108 14.3108 21.4893 21.4893 28.7890 28.7890 29.9135 29.9135 35.8217 35.8217 37.7246 37.7246 40.6497 40.6497 43.0842 43.0842 43.3766 43.3766 k = 0.5000-0.0936 0.5462 ( 1614 PWs) bands (ev): 7.5602 7.5602 10.2663 10.2663 12.0262 12.0262 14.2083 14.2083 21.7846 21.7846 29.0169 29.0169 29.5712 29.5712 35.5250 35.5250 37.8071 37.8071 40.5386 40.5386 43.1467 43.1467 43.3823 43.3823 k = 0.5000-0.0858 0.5517 ( 1614 PWs) bands (ev): 7.6350 7.6350 10.1230 10.1230 12.0927 12.0927 14.1059 14.1059 22.0828 22.0828 29.2293 29.2293 29.2496 29.2496 35.2288 35.2288 37.8929 37.8929 40.4244 40.4244 43.2028 43.2028 43.3940 43.3940 k = 0.5000-0.0780 0.5572 ( 1610 PWs) bands (ev): 7.7125 7.7125 9.9829 9.9829 12.1615 12.1615 14.0039 14.0039 22.3837 22.3837 28.8880 28.8880 29.4870 29.4870 34.9343 34.9343 37.9816 37.9816 40.3080 40.3080 43.2530 43.2530 43.4112 43.4112 k = 0.5000-0.0702 0.5627 ( 1608 PWs) bands (ev): 7.7926 7.7926 9.8461 9.8461 12.2325 12.2325 13.9026 13.9026 22.6873 22.6873 28.5475 28.5475 29.7289 29.7289 34.6407 34.6407 38.0732 38.0732 40.1899 40.1899 43.2981 43.2981 43.4331 43.4331 k = 0.5000-0.0624 0.5682 ( 1608 PWs) bands (ev): 7.8750 7.8750 9.7127 9.7127 12.3053 12.3053 13.8022 13.8022 22.9936 22.9936 28.2080 28.2080 29.9749 29.9749 34.3479 34.3479 38.1670 38.1670 40.0710 40.0710 43.3375 43.3375 43.4590 43.4590 k = 0.5000-0.0546 0.5738 ( 1612 PWs) bands (ev): 7.9596 7.9596 9.5832 9.5832 12.3798 12.3798 13.7032 13.7032 23.3023 23.3023 27.8698 27.8698 30.2249 30.2249 34.0566 34.0566 38.2627 38.2627 39.9521 39.9521 43.3718 43.3718 43.4887 43.4887 k = 0.5000-0.0468 0.5793 ( 1610 PWs) bands (ev): 8.0460 8.0460 9.4578 9.4578 12.4557 12.4557 13.6058 13.6058 23.6134 23.6134 27.5330 27.5330 30.4788 30.4788 33.7671 33.7671 38.3602 38.3602 39.8340 39.8340 43.4015 43.4015 43.5216 43.5216 k = 0.5000-0.0390 0.5848 ( 1610 PWs) bands (ev): 8.1335 8.1335 9.3373 9.3373 12.5325 12.5325 13.5108 13.5108 23.9268 23.9268 27.1978 27.1978 30.7361 30.7361 33.4790 33.4790 38.4583 38.4583 39.7178 39.7178 43.4268 43.4268 43.5583 43.5583 k = 0.5000-0.0312 0.5903 ( 1610 PWs) bands (ev): 8.2210 8.2210 9.2229 9.2229 12.6092 12.6092 13.4190 13.4190 24.2421 24.2421 26.8645 26.8645 30.9971 30.9971 33.1934 33.1934 38.5559 38.5559 39.6051 39.6051 43.4469 43.4469 43.5967 43.5967 k = 0.5000-0.0234 0.5958 ( 1610 PWs) bands (ev): 8.3060 8.3060 9.1168 9.1168 12.6840 12.6840 13.3324 13.3324 24.5590 24.5590 26.5336 26.5336 31.2613 31.2613 32.9100 32.9100 38.6504 38.6504 39.4986 39.4986 43.4624 43.4624 43.6366 43.6366 k = 0.5000-0.0156 0.6013 ( 1606 PWs) bands (ev): 8.3838 8.3838 9.0240 9.0240 12.7533 12.7533 13.2547 13.2547 24.8760 24.8760 26.2065 26.2065 31.5287 31.5287 32.6291 32.6291 38.7367 38.7367 39.4039 39.4039 43.4733 43.4733 43.6764 43.6764 k = 0.5000-0.0078 0.6069 ( 1604 PWs) bands (ev): 8.4438 8.4438 8.9550 8.9550 12.8079 12.8079 13.1950 13.1950 25.1876 25.1876 25.8889 25.8889 31.7986 31.7986 32.3510 32.3510 38.8033 38.8033 39.3321 39.3321 43.4806 43.4806 43.7110 43.7110 k = 0.5000-0.0000 0.6124 ( 1604 PWs) bands (ev): 8.4677 8.4677 8.9280 8.9280 12.8303 12.8303 13.1708 13.1708 25.4092 25.4092 25.6653 25.6653 32.0457 32.0457 32.1012 32.1012 38.8299 38.8299 39.3037 39.3037 43.4828 43.4828 43.7270 43.7270 k = 0.5000-0.0000 0.6124 ( 1604 PWs) bands (ev): 8.4677 8.4677 8.9280 8.9280 12.8303 12.8303 13.1708 13.1708 25.4092 25.4092 25.6653 25.6653 32.0457 32.0457 32.1012 32.1012 38.8299 38.8299 39.3037 39.3037 43.4828 43.4828 43.7270 43.7270 k = 0.4952 0.0083 0.6124 ( 1604 PWs) bands (ev): 8.4540 8.4540 8.9386 8.9386 12.8213 12.8213 13.1883 13.1883 25.2698 25.2698 25.8034 25.8034 31.8806 31.8806 32.2723 32.2723 38.8084 38.8084 39.3130 39.3130 43.4866 43.4866 43.7058 43.7058 k = 0.4904 0.0167 0.6124 ( 1604 PWs) bands (ev): 8.4195 8.4195 8.9637 8.9637 12.7951 12.7951 13.2399 13.2399 25.0463 25.0463 26.0230 26.0230 31.7001 31.7001 32.4706 32.4706 38.7444 38.7444 39.3406 39.3406 43.4977 43.4977 43.6432 43.6432 k = 0.4856 0.0250 0.6124 ( 1610 PWs) bands (ev): 8.3732 8.3732 8.9944 8.9944 12.7573 12.7573 13.3196 13.3196 24.8085 24.8085 26.2543 26.2543 31.5282 31.5282 32.6719 32.6719 38.6442 38.6442 39.3803 39.3803 43.5059 43.5059 43.5566 43.5566 k = 0.4808 0.0333 0.6124 ( 1611 PWs) bands (ev): 8.3213 8.3213 9.0251 9.0251 12.7138 12.7138 13.4212 13.4212 24.5639 24.5639 26.4901 26.4901 31.3655 31.3655 32.8757 32.8757 38.5158 38.5158 39.4255 39.4255 43.4123 43.4123 43.5543 43.5543 k = 0.4760 0.0416 0.6124 ( 1609 PWs) bands (ev): 8.2674 8.2674 9.0529 9.0529 12.6680 12.6680 13.5406 13.5406 24.3144 24.3144 26.7286 26.7286 31.2120 31.2120 33.0818 33.0818 38.3649 38.3649 39.4715 39.4715 43.2709 43.2709 43.5873 43.5873 k = 0.4712 0.0500 0.6124 ( 1605 PWs) bands (ev): 8.2133 8.2133 9.0764 9.0764 12.6218 12.6218 13.6750 13.6750 24.0611 24.0611 26.9689 26.9689 31.0677 31.0677 33.2903 33.2903 38.1959 38.1959 39.5153 39.5153 43.1132 43.1132 43.6255 43.6255 k = 0.4663 0.0583 0.6124 ( 1603 PWs) bands (ev): 8.1601 8.1601 9.0954 9.0954 12.5762 12.5762 13.8226 13.8226 23.8044 23.8044 27.2107 27.2107 30.9322 30.9322 33.5006 33.5006 38.0113 38.0113 39.5549 39.5549 42.9439 42.9439 43.6631 43.6631 k = 0.4615 0.0666 0.6124 ( 1603 PWs) bands (ev): 8.1086 8.1086 9.1099 9.1099 12.5320 12.5320 13.9818 13.9818 23.5449 23.5449 27.4536 27.4536 30.8053 30.8053 33.7129 33.7129 37.8139 37.8139 39.5891 39.5891 42.7668 42.7668 43.6899 43.6899 k = 0.4567 0.0749 0.6124 ( 1603 PWs) bands (ev): 8.0590 8.0590 9.1203 9.1203 12.4895 12.4895 14.1513 14.1513 23.2833 23.2833 27.6972 27.6972 30.6870 30.6870 33.9269 33.9269 37.6060 37.6060 39.6166 39.6166 42.5848 42.5848 43.6965 43.6965 k = 0.4519 0.0833 0.6124 ( 1601 PWs) bands (ev): 8.0118 8.0118 9.1271 9.1271 12.4488 12.4488 14.3300 14.3300 23.0200 23.0200 27.9412 27.9412 30.5769 30.5769 34.1425 34.1425 37.3892 37.3892 39.6364 39.6364 42.4009 42.4009 43.6871 43.6871 k = 0.4471 0.0916 0.6124 ( 1603 PWs) bands (ev): 7.9671 7.9671 9.1308 9.1308 12.4103 12.4103 14.5166 14.5166 22.7555 22.7555 28.1851 28.1851 30.4751 30.4751 34.3593 34.3593 37.1658 37.1658 39.6470 39.6470 42.2167 42.2167 43.6702 43.6702 k = 0.4423 0.0999 0.6124 ( 1601 PWs) bands (ev): 7.9249 7.9249 9.1319 9.1319 12.3740 12.3740 14.7102 14.7102 22.4906 22.4906 28.4284 28.4284 30.3813 30.3813 34.5777 34.5777 36.9372 36.9372 39.6470 39.6470 42.0356 42.0356 43.6505 43.6505 k = 0.4375 0.1083 0.6124 ( 1599 PWs) bands (ev): 7.8855 7.8855 9.1310 9.1310 12.3399 12.3399 14.9097 14.9097 22.2257 22.2257 28.6704 28.6704 30.2956 30.2956 34.7972 34.7972 36.7052 36.7052 39.6345 39.6345 41.8602 41.8602 43.6300 43.6300 k = 0.4327 0.1166 0.6124 ( 1605 PWs) bands (ev): 7.8488 7.8488 9.1285 9.1285 12.3083 12.3083 15.1140 15.1140 21.9618 21.9618 28.9100 28.9100 30.2177 30.2177 35.0166 35.0166 36.4715 36.4715 39.6075 39.6075 41.6933 41.6933 43.6092 43.6092 k = 0.4279 0.1249 0.6124 ( 1608 PWs) bands (ev): 7.8150 7.8150 9.1248 9.1248 12.2790 12.2790 15.3220 15.3220 21.6995 21.6995 29.1460 29.1460 30.1482 30.1482 35.2359 35.2359 36.2385 36.2385 39.5638 39.5638 41.5383 41.5383 43.5897 43.5897 k = 0.4231 0.1332 0.6124 ( 1608 PWs) bands (ev): 7.7840 7.7840 9.1203 9.1203 12.2522 12.2522 15.5326 15.5326 21.4401 21.4401 29.3758 29.3758 30.0884 30.0884 35.4516 35.4516 36.0109 36.0109 39.5014 39.5014 41.3981 41.3981 43.5715 43.5715 k = 0.4183 0.1416 0.6124 ( 1610 PWs) bands (ev): 7.7559 7.7559 9.1153 9.1153 12.2278 12.2278 15.7442 15.7442 21.1845 21.1845 29.5933 29.5933 30.0428 30.0428 35.6302 35.6302 35.8234 35.8234 39.4186 39.4186 41.2750 41.2750 43.5545 43.5545 k = 0.4135 0.1499 0.6124 ( 1606 PWs) bands (ev): 7.7307 7.7307 9.1101 9.1101 12.2060 12.2060 15.9552 15.9552 20.9345 20.9345 29.7744 29.7744 30.0339 30.0339 35.5199 35.5199 35.9298 35.9298 39.3154 39.3154 41.1704 41.1704 43.5392 43.5392 k = 0.4087 0.1582 0.6124 ( 1604 PWs) bands (ev): 7.7085 7.7085 9.1051 9.1051 12.1867 12.1867 16.1635 16.1635 20.6921 20.6921 29.8468 29.8468 30.1310 30.1310 35.3130 35.3130 36.1394 36.1394 39.1925 39.1925 41.0843 41.0843 43.5256 43.5256 k = 0.4038 0.1665 0.6124 ( 1608 PWs) bands (ev): 7.6892 7.6892 9.1002 9.1002 12.1699 12.1699 16.3661 16.3661 20.4600 20.4600 29.8384 29.8384 30.3033 30.3033 35.1103 35.1103 36.3534 36.3534 39.0526 39.0526 41.0156 41.0156 43.5135 43.5135 k = 0.3990 0.1749 0.6124 ( 1605 PWs) bands (ev): 7.6728 7.6728 9.0959 9.0959 12.1557 12.1557 16.5592 16.5592 20.2420 20.2420 29.8158 29.8158 30.4806 30.4806 34.9215 34.9215 36.5654 36.5654 38.8998 38.8998 40.9625 40.9625 43.5034 43.5034 k = 0.3942 0.1832 0.6124 ( 1610 PWs) bands (ev): 7.6594 7.6594 9.0921 9.0921 12.1441 12.1441 16.7374 16.7374 20.0435 20.0435 29.7936 29.7936 30.6430 30.6430 34.7527 34.7527 36.7703 36.7703 38.7390 38.7390 40.9226 40.9226 43.4948 43.4948 k = 0.3894 0.1915 0.6124 ( 1608 PWs) bands (ev): 7.6490 7.6490 9.0891 9.0891 12.1350 12.1350 16.8932 16.8932 19.8720 19.8720 29.7752 29.7752 30.7812 30.7812 34.6104 34.6104 36.9636 36.9636 38.5782 38.5782 40.8939 40.8939 43.4882 43.4882 k = 0.3846 0.1999 0.6124 ( 1610 PWs) bands (ev): 7.6416 7.6416 9.0869 9.0869 12.1285 12.1285 17.0170 17.0170 19.7370 19.7370 29.7618 29.7618 30.8873 30.8873 34.5017 34.5017 37.1343 37.1343 38.4296 38.4296 40.8747 40.8747 43.4833 43.4833 k = 0.3798 0.2082 0.6124 ( 1608 PWs) bands (ev): 7.6371 7.6371 9.0855 9.0855 12.1247 12.1247 17.0978 17.0978 19.6494 19.6494 29.7536 29.7536 30.9545 30.9545 34.4329 34.4329 37.2611 37.2611 38.3155 38.3155 40.8636 40.8636 43.4805 43.4805 k = 0.3750 0.2165 0.6124 ( 1608 PWs) bands (ev): 7.6356 7.6356 9.0851 9.0851 12.1234 12.1234 17.1260 17.1260 19.6190 19.6190 29.7509 29.7509 30.9775 30.9775 34.4094 34.4094 37.3103 37.3103 38.2703 38.2703 40.8600 40.8600 43.4795 43.4795 k = 0.3750 0.2165 0.6124 ( 1608 PWs) bands (ev): 7.6356 7.6356 9.0851 9.0851 12.1234 12.1234 17.1260 17.1260 19.6190 19.6190 29.7509 29.7509 30.9775 30.9775 34.4094 34.4094 37.3103 37.3103 38.2703 38.2703 40.8600 40.8600 43.4795 43.4795 k = 0.3702 0.2137 0.6045 ( 1608 PWs) bands (ev): 7.7084 7.7084 8.8784 8.8784 12.1965 12.1965 17.2175 17.2175 19.7467 19.7467 30.0333 30.0333 30.7354 30.7354 34.2760 34.2760 37.1187 37.1187 38.0956 38.0956 40.6659 40.6659 43.3648 43.3648 k = 0.3654 0.2110 0.5967 ( 1600 PWs) bands (ev): 7.7794 7.7794 8.6782 8.6782 12.2724 12.2724 17.3122 17.3122 19.8736 19.8736 30.3190 30.3190 30.4955 30.4955 34.1451 34.1451 36.9281 36.9281 37.9226 37.9226 40.4715 40.4715 43.2497 43.2497 k = 0.3606 0.2082 0.5888 ( 1596 PWs) bands (ev): 7.8424 7.8424 8.4907 8.4907 12.3508 12.3508 17.4103 17.4103 19.9999 19.9999 30.2558 30.2558 30.6080 30.6080 34.0175 34.0175 36.7385 36.7385 37.7513 37.7513 40.2771 40.2771 43.1344 43.1344 k = 0.3558 0.2054 0.5810 ( 1596 PWs) bands (ev): 7.8782 7.8782 8.3352 8.3352 12.4319 12.4319 17.5115 17.5115 20.1258 20.1258 30.0191 30.0191 30.8959 30.8959 33.8956 33.8956 36.5501 36.5501 37.5813 37.5813 40.0827 40.0827 43.0185 43.0185 k = 0.3510 0.2026 0.5731 ( 1596 PWs) bands (ev): 7.8399 7.8399 8.2588 8.2588 12.5155 12.5155 17.6161 17.6161 20.2514 20.2514 29.7844 29.7844 31.1804 31.1804 33.7824 33.7824 36.3632 36.3632 37.4130 37.4130 39.8887 39.8887 42.9025 42.9025 k = 0.3462 0.1999 0.5653 ( 1600 PWs) bands (ev): 7.7106 7.7106 8.2782 8.2782 12.6017 12.6017 17.7238 17.7238 20.3770 20.3770 29.5516 29.5516 31.4562 31.4562 33.6831 33.6831 36.1776 36.1776 37.2461 37.2461 39.6951 39.6951 42.7866 42.7866 k = 0.3413 0.1971 0.5574 ( 1600 PWs) bands (ev): 7.5387 7.5387 8.3454 8.3454 12.6905 12.6905 17.8349 17.8349 20.5028 20.5028 29.3210 29.3210 31.7143 31.7143 33.6064 33.6064 35.9938 35.9938 37.0814 37.0814 39.5022 39.5022 42.6709 42.6709 k = 0.3365 0.1943 0.5496 ( 1596 PWs) bands (ev): 7.3531 7.3531 8.4314 8.4314 12.7817 12.7817 17.9491 17.9491 20.6288 20.6288 29.0927 29.0927 31.9403 31.9403 33.5669 33.5669 35.8119 35.8119 36.9188 36.9188 39.3101 39.3101 42.5558 42.5558 k = 0.3317 0.1915 0.5417 ( 1596 PWs) bands (ev): 7.1632 7.1632 8.5268 8.5268 12.8754 12.8754 18.0666 18.0666 20.7552 20.7552 28.8666 28.8666 32.1123 32.1123 33.5854 33.5854 35.6318 35.6318 36.7580 36.7580 39.1189 39.1189 42.4409 42.4409 k = 0.3269 0.1887 0.5339 ( 1600 PWs) bands (ev): 6.9724 6.9724 8.6284 8.6284 12.9715 12.9715 18.1873 18.1873 20.8821 20.8821 28.6429 28.6429 32.2110 32.2110 33.6815 33.6815 35.4538 35.4538 36.5989 36.5989 38.9289 38.9289 42.3265 42.3265 k = 0.3221 0.1860 0.5260 ( 1600 PWs) bands (ev): 6.7821 6.7821 8.7347 8.7347 13.0701 13.0701 18.3113 18.3113 21.0098 21.0098 28.4216 28.4216 32.2345 32.2345 33.8566 33.8566 35.2778 35.2778 36.4421 36.4421 38.7403 38.7403 42.2130 42.2130 k = 0.3173 0.1832 0.5182 ( 1600 PWs) bands (ev): 6.5930 6.5930 8.8451 8.8451 13.1710 13.1710 18.4384 18.4384 21.1382 21.1382 28.2029 28.2029 32.2004 32.2004 34.0929 34.0929 35.1042 35.1042 36.2872 36.2872 38.5532 38.5532 42.1004 42.1004 k = 0.3125 0.1804 0.5103 ( 1592 PWs) bands (ev): 6.4057 6.4057 8.9591 8.9591 13.2743 13.2743 18.5687 18.5687 21.2676 21.2676 27.9866 27.9866 32.1295 32.1295 34.3690 34.3690 34.9335 34.9335 36.1350 36.1350 38.3678 38.3678 41.9889 41.9889 k = 0.3077 0.1776 0.5025 ( 1592 PWs) bands (ev): 6.2202 6.2202 9.0766 9.0766 13.3799 13.3799 18.7022 18.7022 21.3979 21.3979 27.7730 27.7730 32.0361 32.0361 34.6616 34.6616 34.7733 34.7733 35.9843 35.9843 38.1843 38.1843 41.8785 41.8785 k = 0.3029 0.1749 0.4946 ( 1592 PWs) bands (ev): 6.0369 6.0369 9.1974 9.1974 13.4878 13.4878 18.8388 18.8388 21.5294 21.5294 27.5620 27.5620 31.9294 31.9294 34.5921 34.5921 34.9928 34.9928 35.8357 35.8357 38.0033 38.0033 41.7694 41.7694 k = 0.2981 0.1721 0.4868 ( 1596 PWs) bands (ev): 5.8558 5.8558 9.3215 9.3215 13.5979 13.5979 18.9785 18.9785 21.6620 21.6620 27.3536 27.3536 31.8145 31.8145 34.4290 34.4290 35.3174 35.3174 35.6894 35.6894 37.8251 37.8251 41.6618 41.6618 k = 0.2933 0.1693 0.4789 ( 1590 PWs) bands (ev): 5.6770 5.6770 9.4486 9.4486 13.7102 13.7102 19.1214 19.1214 21.7959 21.7959 27.1481 27.1481 31.6949 31.6949 34.2680 34.2680 35.5438 35.5438 35.6497 35.6497 37.6509 37.6509 41.5567 41.5567 k = 0.2885 0.1665 0.4711 ( 1590 PWs) bands (ev): 5.5006 5.5006 9.5789 9.5789 13.8247 13.8247 19.2674 19.2674 21.9311 21.9311 26.9453 26.9453 31.5723 31.5723 34.1086 34.1086 35.4025 35.4025 35.9798 35.9798 37.4831 37.4831 41.4532 41.4532 k = 0.2837 0.1638 0.4632 ( 1594 PWs) bands (ev): 5.3267 5.3267 9.7122 9.7122 13.9413 13.9413 19.4165 19.4165 22.0677 22.0677 26.7453 26.7453 31.4478 31.4478 33.9518 33.9518 35.2626 35.2626 36.3019 36.3019 37.3281 37.3281 41.3521 41.3521 k = 0.2788 0.1610 0.4554 ( 1602 PWs) bands (ev): 5.1553 5.1553 9.8486 9.8486 14.0600 14.0600 19.5686 19.5686 22.2057 22.2057 26.5482 26.5482 31.3225 31.3225 33.7974 33.7974 35.1249 35.1249 36.5877 36.5877 37.2127 37.2127 41.2543 41.2543 k = 0.2740 0.1582 0.4475 ( 1602 PWs) bands (ev): 4.9865 4.9865 9.9880 9.9880 14.1807 14.1807 19.7238 19.7238 22.3452 22.3452 26.3541 26.3541 31.1968 31.1968 33.6459 33.6459 34.9894 34.9894 36.7268 36.7268 37.2451 37.2451 41.1603 41.1603 k = 0.2692 0.1554 0.4397 ( 1602 PWs) bands (ev): 4.8203 4.8203 10.1303 10.1303 14.3034 14.3034 19.8820 19.8820 22.4862 22.4862 26.1630 26.1630 31.0712 31.0712 33.4973 33.4973 34.8561 34.8561 36.6604 36.6604 37.4822 37.4822 41.0713 41.0713 k = 0.2644 0.1527 0.4318 ( 1600 PWs) bands (ev): 4.6566 4.6566 10.2756 10.2756 14.4280 14.4280 20.0432 20.0432 22.6286 22.6286 25.9750 25.9750 30.9460 30.9460 33.3514 33.3514 34.7250 34.7250 36.5247 36.5247 37.7851 37.7851 40.9889 40.9889 k = 0.2596 0.1499 0.4240 ( 1600 PWs) bands (ev): 4.4957 4.4957 10.4239 10.4239 14.5544 14.5544 20.2075 20.2075 22.7726 22.7726 25.7901 25.7901 30.8213 30.8213 33.2085 33.2085 34.5962 34.5962 36.3729 36.3729 38.0974 38.0974 40.9151 40.9151 k = 0.2548 0.1471 0.4161 ( 1600 PWs) bands (ev): 4.3374 4.3374 10.5750 10.5750 14.6827 14.6827 20.3747 20.3747 22.9180 22.9180 25.6085 25.6085 30.6974 30.6974 33.0685 33.0685 34.4696 34.4696 36.2170 36.2170 38.4022 38.4022 40.8537 40.8537 k = 0.2500 0.1443 0.4082 ( 1604 PWs) bands (ev): 4.1819 4.1819 10.7291 10.7291 14.8127 14.8127 20.5448 20.5448 23.0648 23.0648 25.4302 25.4302 30.5744 30.5744 32.9316 32.9316 34.3452 34.3452 36.0603 36.0603 38.6888 38.6888 40.8100 40.8100 k = 0.2452 0.1416 0.4004 ( 1598 PWs) bands (ev): 4.0290 4.0290 10.8861 10.8861 14.9444 14.9444 20.7179 20.7179 23.2130 23.2130 25.2555 25.2555 30.4524 30.4524 32.7977 32.7977 34.2234 34.2234 35.9045 35.9045 38.9457 38.9457 40.7924 40.7924 k = 0.2404 0.1388 0.3925 ( 1590 PWs) bands (ev): 3.8790 3.8790 11.0459 11.0459 15.0777 15.0777 20.8938 20.8938 23.3621 23.3621 25.0848 25.0848 30.3314 30.3314 32.6674 32.6674 34.1043 34.1043 35.7502 35.7502 39.1586 39.1586 40.8100 40.8100 k = 0.2356 0.1360 0.3847 ( 1588 PWs) bands (ev): 3.7317 3.7317 11.2086 11.2086 15.2125 15.2125 21.0726 21.0726 23.5116 23.5116 24.9185 24.9185 30.2116 30.2116 32.5399 32.5399 33.9869 33.9869 35.5978 35.5978 39.3140 39.3140 40.8677 40.8677 k = 0.2308 0.1332 0.3768 ( 1584 PWs) bands (ev): 3.5872 3.5872 11.3741 11.3741 15.3488 15.3488 21.2543 21.2543 23.6604 23.6604 24.7579 24.7579 30.0929 30.0929 32.4156 32.4156 33.8718 33.8718 35.4475 35.4475 39.4068 39.4068 40.9604 40.9604 k = 0.2260 0.1305 0.3690 ( 1588 PWs) bands (ev): 3.4455 3.4455 11.5423 11.5423 15.4864 15.4864 21.4387 21.4387 23.8055 23.8055 24.6057 24.6057 29.9752 29.9752 32.2946 32.2946 33.7590 33.7590 35.2995 35.2995 39.4436 39.4436 41.0594 41.0594 k = 0.2212 0.1277 0.3611 ( 1588 PWs) bands (ev): 3.3067 3.3067 11.7134 11.7134 15.6254 15.6254 21.6259 21.6259 23.9381 23.9381 24.4712 24.4712 29.8588 29.8588 32.1770 32.1770 33.6485 33.6485 35.1539 35.1539 39.4387 39.4387 41.1192 41.1192 k = 0.2163 0.1249 0.3533 ( 1592 PWs) bands (ev): 3.1706 3.1706 11.8872 11.8872 15.7655 15.7655 21.8159 21.8159 24.0237 24.0237 24.3888 24.3888 29.7435 29.7435 32.0628 32.0628 33.5404 33.5404 35.0108 35.0108 39.4049 39.4049 41.0921 41.0921 k = 0.2115 0.1221 0.3454 ( 1592 PWs) bands (ev): 3.0375 3.0375 12.0637 12.0637 15.9068 15.9068 22.0084 22.0084 23.9953 23.9953 24.4254 24.4254 29.6293 29.6293 31.9522 31.9522 33.4346 33.4346 34.8704 34.8704 39.3521 39.3521 40.9617 40.9617 k = 0.2067 0.1194 0.3376 ( 1588 PWs) bands (ev): 2.9072 2.9072 12.2430 12.2430 16.0490 16.0490 22.2036 22.2036 23.8869 23.8869 24.5473 24.5473 29.5164 29.5164 31.8452 31.8452 33.3312 33.3312 34.7326 34.7326 39.2867 39.2867 40.7494 40.7494 k = 0.2019 0.1166 0.3297 ( 1588 PWs) bands (ev): 2.7798 2.7798 12.4248 12.4248 16.1922 16.1922 22.4013 22.4013 23.7565 23.7565 24.6963 24.6963 29.4046 29.4046 31.7418 31.7418 33.2301 33.2301 34.5975 34.5975 39.2115 39.2115 40.4853 40.4853 k = 0.1971 0.1138 0.3219 ( 1588 PWs) bands (ev): 2.6553 2.6553 12.6094 12.6094 16.3361 16.3361 22.6011 22.6011 23.6215 23.6215 24.8553 24.8553 29.2938 29.2938 31.6420 31.6420 33.1313 33.1313 34.4652 34.4652 39.1288 39.1288 40.1926 40.1926 k = 0.1923 0.1110 0.3140 ( 1596 PWs) bands (ev): 2.5336 2.5336 12.7964 12.7964 16.4807 16.4807 22.8026 22.8026 23.4871 23.4871 25.0193 25.0193 29.1841 29.1841 31.5460 31.5460 33.0349 33.0349 34.3356 34.3356 39.0380 39.0380 39.8860 39.8860 k = 0.1875 0.1083 0.3062 ( 1596 PWs) bands (ev): 2.4149 2.4149 12.9861 12.9861 16.6258 16.6258 23.0031 23.0031 23.3580 23.3580 25.1867 25.1867 29.0754 29.0754 31.4538 31.4538 32.9408 32.9408 34.2089 34.2089 38.9375 38.9375 39.5768 39.5768 k = 0.1827 0.1055 0.2983 ( 1596 PWs) bands (ev): 2.2991 2.2991 13.1782 13.1782 16.7713 16.7713 23.1567 23.1567 23.2806 23.2806 25.3567 25.3567 28.9677 28.9677 31.3655 31.3655 32.8491 32.8491 34.0851 34.0851 38.8168 38.8168 39.2799 39.2799 k = 0.1779 0.1027 0.2905 ( 1594 PWs) bands (ev): 2.1863 2.1863 13.3729 13.3729 16.9170 16.9170 23.0747 23.0747 23.4441 23.4441 25.5286 25.5286 28.8611 28.8611 31.2813 31.2813 32.7598 32.7598 33.9643 33.9643 38.6496 38.6496 39.0253 39.0253 k = 0.1731 0.0999 0.2826 ( 1602 PWs) bands (ev): 2.0764 2.0764 13.5699 13.5699 17.0628 17.0628 22.9535 22.9535 23.6521 23.6521 25.7019 25.7019 28.7554 28.7554 31.2008 31.2008 32.6728 32.6728 33.8463 33.8463 38.4072 38.4072 38.8432 38.8432 k = 0.1683 0.0972 0.2748 ( 1602 PWs) bands (ev): 1.9694 1.9694 13.7693 13.7693 17.2086 17.2086 22.8322 22.8322 23.8658 23.8658 25.8766 25.8766 28.6508 28.6508 31.1248 31.1248 32.5882 32.5882 33.7314 33.7314 38.1129 38.1129 38.7125 38.7125 k = 0.1635 0.0944 0.2669 ( 1600 PWs) bands (ev): 1.8653 1.8653 13.9710 13.9710 17.3541 17.3541 22.7133 22.7133 24.0826 24.0826 26.0521 26.0521 28.5473 28.5473 31.0532 31.0532 32.5060 32.5060 33.6194 33.6194 37.7986 37.7986 38.6026 38.6026 k = 0.1587 0.0916 0.2591 ( 1600 PWs) bands (ev): 1.7643 1.7643 14.1750 14.1750 17.4993 17.4993 22.5975 22.5975 24.3019 24.3019 26.2280 26.2280 28.4453 28.4453 30.9858 30.9858 32.4261 32.4261 33.5105 33.5105 37.4780 37.4780 38.4999 38.4999 k = 0.1538 0.0888 0.2512 ( 1596 PWs) bands (ev): 1.6662 1.6662 14.3810 14.3810 17.6438 17.6438 22.4850 22.4850 24.5234 24.5234 26.4036 26.4036 28.3451 28.3451 30.9229 30.9229 32.3488 32.3488 33.4049 33.4049 37.1565 37.1565 38.4004 38.4004 k = 0.1490 0.0860 0.2434 ( 1596 PWs) bands (ev): 1.5710 1.5710 14.5892 14.5892 17.7876 17.7876 22.3759 22.3759 24.7469 24.7469 26.5778 26.5778 28.2476 28.2476 30.8645 30.8645 32.2736 32.2736 33.3022 33.3022 36.8365 36.8365 38.3021 38.3021 k = 0.1442 0.0833 0.2355 ( 1592 PWs) bands (ev): 1.4789 1.4789 14.7993 14.7993 17.9304 17.9304 22.2704 22.2704 24.9723 24.9723 26.7487 26.7487 28.1543 28.1543 30.8107 30.8107 32.2010 32.2010 33.2027 33.2027 36.5195 36.5195 38.2042 38.2042 k = 0.1394 0.0805 0.2277 ( 1596 PWs) bands (ev): 1.3897 1.3897 15.0113 15.0113 18.0720 18.0720 22.1685 22.1685 25.1993 25.1993 26.9131 26.9131 28.0684 28.0684 30.7615 30.7615 32.1305 32.1305 33.1063 33.1063 36.2065 36.2065 38.1059 38.1059 k = 0.1346 0.0777 0.2198 ( 1592 PWs) bands (ev): 1.3035 1.3035 15.2251 15.2251 18.2122 18.2122 22.0704 22.0704 25.4276 25.4276 27.0641 27.0641 27.9964 27.9964 30.7172 30.7172 32.0626 32.0626 33.0132 33.0132 35.8983 35.8983 38.0073 38.0073 k = 0.1298 0.0749 0.2120 ( 1592 PWs) bands (ev): 1.2203 1.2203 15.4405 15.4405 18.3507 18.3507 21.9759 21.9759 25.6568 25.6568 27.1886 27.1886 27.9515 27.9515 30.6778 30.6778 31.9969 31.9969 32.9231 32.9231 35.5957 35.5957 37.9078 37.9078 k = 0.1250 0.0722 0.2041 ( 1592 PWs) bands (ev): 1.1401 1.1401 15.6574 15.6574 18.4872 18.4872 21.8854 21.8854 25.8863 25.8863 27.2650 27.2650 27.9552 27.9552 30.6434 30.6434 31.9337 31.9337 32.8363 32.8363 35.2993 35.2993 37.8073 37.8073 k = 0.1202 0.0694 0.1963 ( 1592 PWs) bands (ev): 1.0629 1.0629 15.8756 15.8756 18.6217 18.6217 21.7987 21.7987 26.1149 26.1149 27.2788 27.2788 28.0229 28.0229 30.6140 30.6140 31.8728 31.8728 32.7528 32.7528 35.0097 35.0097 37.7058 37.7058 k = 0.1154 0.0666 0.1884 ( 1584 PWs) bands (ev): 0.9887 0.9887 16.0949 16.0949 18.7537 18.7537 21.7163 21.7163 26.3399 26.3399 27.2428 27.2428 28.1437 28.1437 30.5898 30.5898 31.8143 31.8143 32.6726 32.6726 34.7277 34.7277 37.6032 37.6032 k = 0.1106 0.0638 0.1806 ( 1584 PWs) bands (ev): 0.9175 0.9175 16.3152 16.3152 18.8831 18.8831 21.6377 21.6377 26.5536 26.5536 27.1859 27.1859 28.2956 28.2956 30.5709 30.5709 31.7582 31.7582 32.5956 32.5956 34.4536 34.4536 37.4992 37.4992 k = 0.1058 0.0611 0.1727 ( 1584 PWs) bands (ev): 0.8493 0.8493 16.5360 16.5360 19.0095 19.0095 21.5634 21.5634 26.7275 26.7275 27.1506 27.1506 28.4641 28.4641 30.5572 30.5572 31.7044 31.7044 32.5218 32.5218 34.1880 34.1880 37.3937 37.3937 k = 0.1010 0.0583 0.1649 ( 1584 PWs) bands (ev): 0.7841 0.7841 16.7573 16.7573 19.1328 19.1328 21.4933 21.4933 26.7843 26.7843 27.2210 27.2210 28.6415 28.6415 30.5488 30.5488 31.6531 31.6531 32.4513 32.4513 33.9318 33.9318 37.2868 37.2868 k = 0.0962 0.0555 0.1570 ( 1588 PWs) bands (ev): 0.7219 0.7219 16.9784 16.9784 19.2525 19.2525 21.4277 21.4277 26.7242 26.7242 27.4001 27.4001 28.8239 28.8239 30.5453 30.5453 31.6041 31.6041 32.3839 32.3839 33.6854 33.6854 37.1784 37.1784 k = 0.0913 0.0527 0.1492 ( 1588 PWs) bands (ev): 0.6628 0.6628 17.1992 17.1992 19.3686 19.3686 21.3667 21.3667 26.6200 26.6200 27.6162 27.6162 29.0093 29.0093 30.5477 30.5477 31.5575 31.5575 32.3199 32.3199 33.4496 33.4496 37.0686 37.0686 k = 0.0865 0.0500 0.1413 ( 1588 PWs) bands (ev): 0.6067 0.6067 17.4190 17.4190 19.4810 19.4810 21.3104 21.3104 26.4985 26.4985 27.8431 27.8431 29.1964 29.1964 30.5556 30.5556 31.5132 31.5132 32.2590 32.2590 33.2251 33.2251 36.9573 36.9573 k = 0.0817 0.0472 0.1335 ( 1584 PWs) bands (ev): 0.5536 0.5536 17.6372 17.6372 19.5894 19.5894 21.2590 21.2590 26.3671 26.3671 28.0733 28.0733 29.3844 29.3844 30.5689 30.5689 31.4715 31.4715 32.2010 32.2010 33.0127 33.0127 36.8446 36.8446 k = 0.0769 0.0444 0.1256 ( 1584 PWs) bands (ev): 0.5035 0.5035 17.8531 17.8531 19.6938 19.6938 21.2126 21.2126 26.2285 26.2285 28.3037 28.3037 29.5724 29.5724 30.5875 30.5875 31.4320 31.4320 32.1455 32.1455 32.8133 32.8133 36.7307 36.7307 k = 0.0721 0.0416 0.1178 ( 1584 PWs) bands (ev): 0.4564 0.4564 18.0657 18.0657 19.7942 19.7942 21.1715 21.1715 26.0841 26.0841 28.5325 28.5325 29.7600 29.7600 30.6112 30.6112 31.3950 31.3950 32.0916 32.0916 32.6282 32.6282 36.6157 36.6157 k = 0.0673 0.0389 0.1099 ( 1583 PWs) bands (ev): 0.4124 0.4124 18.2737 18.2737 19.8910 19.8910 21.1358 21.1358 25.9349 25.9349 28.7579 28.7579 29.9468 29.9468 30.6401 30.6401 31.3603 31.3603 32.0379 32.0379 32.4599 32.4599 36.4998 36.4998 k = 0.0625 0.0361 0.1021 ( 1587 PWs) bands (ev): 0.3714 0.3714 18.4757 18.4757 19.9847 19.9847 21.1056 21.1056 25.7817 25.7817 28.9785 28.9785 30.1320 30.1320 30.6740 30.6740 31.3279 31.3279 31.9807 31.9807 32.3120 32.3120 36.3830 36.3830 k = 0.0577 0.0333 0.0942 ( 1583 PWs) bands (ev): 0.3334 0.3334 18.6699 18.6699 20.0761 20.0761 21.0810 21.0810 25.6252 25.6252 29.1925 29.1925 30.3152 30.3152 30.7128 30.7128 31.2979 31.2979 31.9146 31.9146 32.1913 32.1913 36.2647 36.2647 k = 0.0529 0.0305 0.0864 ( 1581 PWs) bands (ev): 0.2985 0.2985 18.8538 18.8538 20.1663 20.1663 21.0618 21.0618 25.4664 25.4664 29.3979 29.3979 30.4947 30.4947 30.7568 30.7568 31.2704 31.2704 31.8341 31.8341 32.1033 32.1033 36.1402 36.1402 k = 0.0481 0.0278 0.0785 ( 1593 PWs) bands (ev): 0.2666 0.2666 19.0247 19.0247 20.2569 20.2569 21.0479 21.0479 25.3066 25.3066 29.5921 29.5921 30.6659 30.6659 30.8087 30.8087 31.2451 31.2451 31.7428 31.7428 32.0457 32.0457 35.9941 35.9941 k = 0.0433 0.0250 0.0707 ( 1593 PWs) bands (ev): 0.2378 0.2378 19.1801 19.1801 20.3497 20.3497 21.0389 21.0389 25.1472 25.1472 29.7732 29.7732 30.8042 30.8042 30.8917 30.8917 31.2222 31.2222 31.6515 31.6515 32.0095 32.0095 35.8337 35.8337 k = 0.0385 0.0222 0.0628 ( 1603 PWs) bands (ev): 0.2119 0.2119 19.3168 19.3168 20.4458 20.4458 21.0341 21.0341 24.9900 24.9900 29.9385 29.9385 30.8764 30.8764 31.0321 31.0321 31.2016 31.2016 31.5709 31.5709 31.9876 31.9876 35.6791 35.6791 k = 0.0337 0.0194 0.0550 ( 1607 PWs) bands (ev): 0.1891 0.1891 19.4334 19.4334 20.5458 20.5458 21.0328 21.0328 24.8373 24.8373 30.0861 30.0861 30.9294 30.9294 31.1691 31.1691 31.1835 31.1835 31.5167 31.5167 31.9765 31.9765 35.5372 35.5372 k = 0.0288 0.0167 0.0471 ( 1615 PWs) bands (ev): 0.1694 0.1694 19.5290 19.5290 20.6482 20.6482 21.0341 21.0341 24.6919 24.6919 30.2145 30.2145 30.9763 30.9763 31.1671 31.1671 31.2489 31.2489 31.5274 31.5274 31.9739 31.9739 35.4095 35.4095 k = 0.0240 0.0139 0.0393 ( 1627 PWs) bands (ev): 0.1527 0.1527 19.6045 19.6045 20.7498 20.7498 21.0373 21.0373 24.5572 24.5572 30.3230 30.3230 31.0169 31.0169 31.1524 31.1524 31.2499 31.2499 31.6203 31.6203 31.9780 31.9780 35.2983 35.2983 k = 0.0192 0.0111 0.0314 ( 1629 PWs) bands (ev): 0.1390 0.1390 19.6620 19.6620 20.8456 20.8456 21.0415 21.0415 24.4372 24.4372 30.4117 30.4117 31.0493 31.0493 31.1383 31.1383 31.2249 31.2249 31.7400 31.7400 31.9870 31.9870 35.2053 35.2053 k = 0.0144 0.0083 0.0236 ( 1633 PWs) bands (ev): 0.1283 0.1283 19.7036 19.7036 20.9296 20.9296 21.0456 21.0456 24.3366 24.3366 30.4805 30.4805 31.0719 31.0719 31.1232 31.1232 31.2043 31.2043 31.8520 31.8520 31.9982 31.9982 35.1314 35.1314 k = 0.0096 0.0056 0.0157 ( 1639 PWs) bands (ev): 0.1207 0.1207 19.7315 19.7315 20.9954 20.9954 21.0490 21.0490 24.2600 24.2600 30.5297 30.5297 31.0848 31.0848 31.1080 31.1080 31.1946 31.1946 31.9414 31.9414 32.0088 32.0088 35.0776 35.0776 k = 0.0048 0.0028 0.0079 ( 1639 PWs) bands (ev): 0.1162 0.1162 19.7476 19.7476 21.0376 21.0376 21.0513 21.0513 24.2119 24.2119 30.5594 30.5594 31.0906 31.0906 31.0964 31.0964 31.1923 31.1923 31.9992 31.9992 32.0165 32.0165 35.0451 35.0451 k = 0.0000 0.0000 0.0000 ( 1639 PWs) bands (ev): 0.1147 0.1147 19.7528 19.7528 21.0521 21.0521 21.0521 21.0521 24.1955 24.1955 30.5694 30.5694 31.0922 31.0922 31.0922 31.0922 31.1922 31.1922 32.0192 32.0192 32.0192 32.0192 35.0342 35.0342 k = 0.0000 0.0000 0.0000 ( 1639 PWs) bands (ev): 0.1147 0.1147 19.7528 19.7528 21.0521 21.0521 21.0521 21.0521 24.1955 24.1955 30.5694 30.5694 31.0922 31.0922 31.0922 31.0922 31.1922 31.1922 32.0192 32.0192 32.0192 32.0192 35.0342 35.0342 k = 0.0078 0.0045 0.0032 ( 1639 PWs) bands (ev): 0.1162 0.1162 19.7476 19.7476 21.0370 21.0370 21.0520 21.0520 24.2118 24.2118 30.5595 30.5595 31.0925 31.0925 31.0946 31.0946 31.1922 31.1922 32.0029 32.0029 32.0129 32.0129 35.0450 35.0450 k = 0.0156 0.0090 0.0064 ( 1639 PWs) bands (ev): 0.1207 0.1207 19.7315 19.7315 20.9935 20.9935 21.0518 21.0518 24.2592 24.2592 30.5305 30.5305 31.0922 31.0922 31.1018 31.1018 31.1934 31.1934 31.9551 31.9551 31.9946 31.9946 35.0772 35.0772 k = 0.0234 0.0135 0.0096 ( 1630 PWs) bands (ev): 0.1282 0.1282 19.7032 19.7032 20.9264 20.9264 21.0516 21.0516 24.3344 24.3344 30.4836 30.4836 31.0880 31.0880 31.1135 31.1135 31.1985 31.1985 31.8792 31.8792 31.9664 31.9664 35.1308 35.1308 k = 0.0312 0.0180 0.0128 ( 1630 PWs) bands (ev): 0.1387 0.1387 19.6600 19.6600 20.8426 20.8426 21.0512 21.0512 24.4326 24.4326 30.4198 30.4198 31.0763 31.0763 31.1287 31.1287 31.2102 31.2102 31.7798 31.7798 31.9303 31.9303 35.2044 35.2044 k = 0.0391 0.0226 0.0159 ( 1624 PWs) bands (ev): 0.1523 0.1523 19.5988 19.5988 20.7507 20.7507 21.0508 21.0508 24.5486 24.5486 30.3411 30.3411 31.0562 31.0562 31.1457 31.1457 31.2293 31.2293 31.6636 31.6636 31.8895 31.8895 35.2979 35.2979 k = 0.0469 0.0271 0.0191 ( 1621 PWs) bands (ev): 0.1688 0.1688 19.5159 19.5159 20.6587 20.6587 21.0502 21.0502 24.6774 24.6774 30.2483 30.2483 31.0286 31.0286 31.1589 31.1589 31.2551 31.2551 31.5397 31.5397 31.8468 31.8468 35.4099 35.4099 k = 0.0547 0.0316 0.0223 ( 1603 PWs) bands (ev): 0.1884 0.1884 19.4084 19.4084 20.5740 20.5740 21.0499 21.0499 24.8146 24.8146 30.1432 30.1432 30.9956 30.9956 31.1502 31.1502 31.2863 31.2863 31.4307 31.4307 31.8045 31.8045 35.5391 35.5391 k = 0.0625 0.0361 0.0255 ( 1597 PWs) bands (ev): 0.2110 0.2110 19.2750 19.2750 20.5009 20.5009 21.0495 21.0495 24.9565 24.9565 30.0266 30.0266 30.9589 30.9589 31.0794 31.0794 31.3217 31.3217 31.3789 31.3789 31.7649 31.7649 35.6845 35.6845 k = 0.0703 0.0406 0.0287 ( 1597 PWs) bands (ev): 0.2366 0.2366 19.1168 19.1168 20.4410 20.4410 21.0489 21.0489 25.0998 25.0998 29.8995 29.8995 30.9199 30.9199 30.9451 30.9451 31.3599 31.3599 31.3880 31.3880 31.7304 31.7304 35.8452 35.8452 k = 0.0781 0.0451 0.0319 ( 1597 PWs) bands (ev): 0.2651 0.2651 18.9369 18.9369 20.3936 20.3936 21.0485 21.0485 25.2419 25.2419 29.7633 29.7633 30.7824 30.7824 30.8800 30.8800 31.3987 31.3987 31.4252 31.4252 31.7044 31.7044 36.0201 36.0201 k = 0.0859 0.0496 0.0351 ( 1600 PWs) bands (ev): 0.2967 0.2967 18.7388 18.7388 20.3570 20.3570 21.0482 21.0482 25.3806 25.3806 29.6192 29.6192 30.6074 30.6074 30.8398 30.8398 31.4346 31.4346 31.4758 31.4758 31.6915 31.6915 36.2075 36.2075 k = 0.0938 0.0541 0.0383 ( 1588 PWs) bands (ev): 0.3313 0.3313 18.5264 18.5264 20.3291 20.3291 21.0482 21.0482 25.5139 25.5139 29.4690 29.4690 30.4263 30.4263 30.7999 30.7999 31.4633 31.4633 31.5351 31.5351 31.6981 31.6981 36.4087 36.4087 k = 0.1016 0.0586 0.0415 ( 1588 PWs) bands (ev): 0.3689 0.3689 18.3023 18.3023 20.3078 20.3078 21.0483 21.0483 25.6402 25.6402 29.3128 29.3128 30.2411 30.2411 30.7593 30.7593 31.4828 31.4828 31.6013 31.6013 31.7271 31.7271 36.6206 36.6206 k = 0.1094 0.0631 0.0447 ( 1594 PWs) bands (ev): 0.4095 0.4095 18.0692 18.0692 20.2917 20.2917 21.0487 21.0487 25.7582 25.7582 29.1522 29.1522 30.0534 30.0534 30.7175 30.7175 31.4980 31.4980 31.6736 31.6736 31.7760 31.7760 36.8430 36.8430 k = 0.1172 0.0677 0.0478 ( 1588 PWs) bands (ev): 0.4531 0.4531 17.8293 17.8293 20.2799 20.2799 21.0495 21.0495 25.8669 25.8669 28.9882 28.9882 29.8647 29.8647 30.6741 30.6741 31.5163 31.5163 31.7517 31.7517 31.8392 31.8392 37.0755 37.0755 k = 0.1250 0.0722 0.0510 ( 1588 PWs) bands (ev): 0.4997 0.4997 17.5835 17.5835 20.2714 20.2714 21.0507 21.0507 25.9654 25.9654 28.8213 28.8213 29.6752 29.6752 30.6269 30.6269 31.5435 31.5435 31.8352 31.8352 31.9128 31.9128 37.3172 37.3172 k = 0.1328 0.0767 0.0542 ( 1588 PWs) bands (ev): 0.5493 0.5493 17.3334 17.3334 20.2656 20.2656 21.0524 21.0524 26.0532 26.0532 28.6525 28.6525 29.4856 29.4856 30.5758 30.5758 31.5831 31.5831 31.9239 31.9239 31.9944 31.9944 37.5675 37.5675 k = 0.1406 0.0812 0.0574 ( 1588 PWs) bands (ev): 0.6020 0.6020 17.0799 17.0799 20.2622 20.2622 21.0547 21.0547 26.1301 26.1301 28.4824 28.4824 29.2963 29.2963 30.5203 30.5203 31.6371 31.6371 32.0177 32.0177 32.0827 32.0827 37.8258 37.8258 k = 0.1484 0.0857 0.0606 ( 1576 PWs) bands (ev): 0.6576 0.6576 16.8237 16.8237 20.2608 20.2608 21.0576 21.0576 26.1960 26.1960 28.3117 28.3117 29.1077 29.1077 30.4608 30.4608 31.7064 31.7064 32.1165 32.1165 32.1770 32.1770 38.0919 38.0919 k = 0.1562 0.0902 0.0638 ( 1576 PWs) bands (ev): 0.7161 0.7161 16.5655 16.5655 20.2612 20.2612 21.0612 21.0612 26.2509 26.2509 28.1407 28.1407 28.9199 28.9199 30.3968 30.3968 31.7909 31.7909 32.2201 32.2201 32.2770 32.2770 38.3646 38.3646 k = 0.1641 0.0947 0.0670 ( 1576 PWs) bands (ev): 0.7777 0.7777 16.3057 16.3057 20.2633 20.2633 21.0655 21.0655 26.2953 26.2953 27.9700 27.9700 28.7333 28.7333 30.3291 30.3291 31.8901 31.8901 32.3284 32.3284 32.3823 32.3823 38.6437 38.6437 k = 0.1719 0.0992 0.0702 ( 1582 PWs) bands (ev): 0.8423 0.8423 16.0448 16.0448 20.2669 20.2669 21.0706 21.0706 26.3295 26.3295 27.8002 27.8002 28.5479 28.5479 30.2580 30.2580 32.0031 32.0031 32.4413 32.4413 32.4928 32.4928 38.9282 38.9282 k = 0.1797 0.1037 0.0734 ( 1582 PWs) bands (ev): 0.9099 0.9099 15.7832 15.7832 20.2721 20.2721 21.0766 21.0766 26.3540 26.3540 27.6319 27.6319 28.3640 28.3640 30.1843 30.1843 32.1292 32.1292 32.5587 32.5587 32.6084 32.6084 39.2185 39.2185 k = 0.1875 0.1083 0.0765 ( 1582 PWs) bands (ev): 0.9804 0.9804 15.5212 15.5212 20.2787 20.2787 21.0836 21.0836 26.3691 26.3691 27.4656 27.4656 28.1818 28.1818 30.1085 30.1085 32.2671 32.2671 32.6805 32.6805 32.7291 32.7291 39.5135 39.5135 k = 0.1953 0.1128 0.0797 ( 1585 PWs) bands (ev): 1.0540 1.0540 15.2591 15.2591 20.2866 20.2866 21.0916 21.0916 26.3748 26.3748 27.3024 27.3024 28.0012 28.0012 30.0308 30.0308 32.4156 32.4156 32.8067 32.8067 32.8549 32.8549 39.8125 39.8125 k = 0.2031 0.1173 0.0829 ( 1585 PWs) bands (ev): 1.1305 1.1305 14.9971 14.9971 20.2960 20.2960 21.1007 21.1007 26.3710 26.3710 27.1435 27.1435 27.8224 27.8224 29.9519 29.9519 32.5735 32.5735 32.9370 32.9370 32.9860 32.9860 40.1149 40.1149 k = 0.2109 0.1218 0.0861 ( 1591 PWs) bands (ev): 1.2100 1.2100 14.7354 14.7354 20.3068 20.3068 21.1109 21.1109 26.3562 26.3562 26.9913 26.9913 27.6455 27.6455 29.8719 29.8719 32.7395 32.7395 33.0714 33.0714 33.1226 33.1226 40.4193 40.4193 k = 0.2188 0.1263 0.0893 ( 1591 PWs) bands (ev): 1.2925 1.2925 14.4742 14.4742 20.3191 20.3191 21.1224 21.1224 26.3275 26.3275 26.8495 26.8495 27.4707 27.4707 29.7915 29.7915 32.9123 32.9123 33.2098 33.2098 33.2651 33.2651 40.7248 40.7248 k = 0.2266 0.1308 0.0925 ( 1597 PWs) bands (ev): 1.3779 1.3779 14.2137 14.2137 20.3328 20.3328 21.1352 21.1352 26.2795 26.2795 26.7245 26.7245 27.2977 27.2977 29.7107 29.7107 33.0900 33.0900 33.3521 33.3521 33.4140 33.4140 41.0278 41.0278 k = 0.2344 0.1353 0.0957 ( 1597 PWs) bands (ev): 1.4663 1.4663 13.9541 13.9541 20.3479 20.3479 21.1493 21.1493 26.2057 26.2057 26.6235 26.6235 27.1270 27.1270 29.6299 29.6299 33.2715 33.2715 33.4982 33.4982 33.5705 33.5705 41.3262 41.3262 k = 0.2422 0.1398 0.0989 ( 1597 PWs) bands (ev): 1.5577 1.5577 13.6954 13.6954 20.3646 20.3646 21.1648 21.1648 26.1045 26.1045 26.5488 26.5488 26.9584 26.9584 29.5493 29.5493 33.4545 33.4545 33.6482 33.6482 33.7357 33.7357 41.6148 41.6148 k = 0.2500 0.1443 0.1021 ( 1588 PWs) bands (ev): 1.6521 1.6521 13.4379 13.4379 20.3828 20.3828 21.1819 21.1819 25.9822 25.9822 26.4947 26.4947 26.7920 26.7920 29.4694 29.4694 33.6372 33.6372 33.8017 33.8017 33.9108 33.9108 41.8919 41.8919 k = 0.2578 0.1488 0.1053 ( 1594 PWs) bands (ev): 1.7494 1.7494 13.1816 13.1816 20.4025 20.4025 21.2003 21.2003 25.8474 25.8474 26.4532 26.4532 26.6278 26.6278 29.3900 29.3900 33.8180 33.8180 33.9585 33.9585 34.0964 34.0964 42.1580 42.1580 k = 0.2656 0.1534 0.1084 ( 1594 PWs) bands (ev): 1.8497 1.8497 12.9266 12.9266 20.4238 20.4238 21.2204 21.2204 25.7061 25.7061 26.4187 26.4187 26.4659 26.4659 29.3114 29.3114 33.9966 33.9966 34.1189 34.1189 34.2928 34.2928 42.4170 42.4170 k = 0.2734 0.1579 0.1116 ( 1600 PWs) bands (ev): 1.9529 1.9529 12.6731 12.6731 20.4467 20.4467 21.2421 21.2421 25.5619 25.5619 26.3063 26.3063 26.3880 26.3880 29.2339 29.2339 34.1731 34.1731 34.2822 34.2822 34.4988 34.4988 42.6704 42.6704 k = 0.2812 0.1624 0.1148 ( 1600 PWs) bands (ev): 2.0590 2.0590 12.4211 12.4211 20.4712 20.4712 21.2655 21.2655 25.4169 25.4169 26.1491 26.1491 26.3597 26.3597 29.1576 29.1576 34.3490 34.3490 34.4489 34.4489 34.7132 34.7132 42.9195 42.9195 k = 0.2891 0.1669 0.1180 ( 1600 PWs) bands (ev): 2.1681 2.1681 12.1706 12.1706 20.4974 20.4974 21.2906 21.2906 25.2720 25.2720 25.9942 25.9942 26.3328 26.3328 29.0827 29.0827 34.5248 34.5248 34.6188 34.6188 34.9347 34.9347 43.1644 43.1644 k = 0.2969 0.1714 0.1212 ( 1603 PWs) bands (ev): 2.2802 2.2802 11.9219 11.9219 20.5252 20.5252 21.3175 21.3175 25.1281 25.1281 25.8418 25.8418 26.3070 26.3070 29.0092 29.0092 34.7013 34.7013 34.7914 34.7914 35.1621 35.1621 43.4050 43.4050 k = 0.3047 0.1759 0.1244 ( 1609 PWs) bands (ev): 2.3951 2.3951 11.6749 11.6749 20.5548 20.5548 21.3461 21.3461 24.9856 24.9856 25.6917 25.6917 26.2821 26.2821 28.9373 28.9373 34.8788 34.8788 34.9667 34.9667 35.3946 35.3946 43.6407 43.6407 k = 0.3125 0.1804 0.1276 ( 1609 PWs) bands (ev): 2.5130 2.5130 11.4298 11.4298 20.5861 20.5861 21.3767 21.3767 24.8447 24.8447 25.5441 25.5441 26.2580 26.2580 28.8674 28.8674 35.0580 35.0580 35.1448 35.1448 35.6315 35.6315 43.8720 43.8720 k = 0.3203 0.1849 0.1308 ( 1609 PWs) bands (ev): 2.6338 2.6338 11.1865 11.1865 20.6191 20.6191 21.4091 21.4091 24.7056 24.7056 25.3989 25.3989 26.2348 26.2348 28.7993 28.7993 35.2389 35.2389 35.3254 35.3254 35.8723 35.8723 44.0982 44.0982 k = 0.3281 0.1894 0.1340 ( 1609 PWs) bands (ev): 2.7576 2.7576 10.9453 10.9453 20.6540 20.6540 21.4435 21.4435 24.5687 24.5687 25.2562 25.2562 26.2124 26.2124 28.7332 28.7332 35.4214 35.4214 35.5083 35.5083 36.1168 36.1168 44.3186 44.3186 k = 0.3359 0.1940 0.1371 ( 1609 PWs) bands (ev): 2.8842 2.8842 10.7060 10.7060 20.6906 20.6906 21.4799 21.4799 24.4339 24.4339 25.1160 25.1160 26.1910 26.1910 28.6692 28.6692 35.6056 35.6056 35.6933 35.6933 36.3644 36.3644 44.5324 44.5324 k = 0.3438 0.1985 0.1403 ( 1609 PWs) bands (ev): 3.0137 3.0137 10.4688 10.4688 20.7290 20.7290 21.5183 21.5183 24.3013 24.3013 24.9783 24.9783 26.1704 26.1704 28.6075 28.6075 35.7913 35.7913 35.8802 35.8802 36.6152 36.6152 44.7383 44.7383 k = 0.3516 0.2030 0.1435 ( 1610 PWs) bands (ev): 3.1461 3.1461 10.2337 10.2337 20.7691 20.7691 21.5588 21.5588 24.1712 24.1712 24.8431 24.8431 26.1507 26.1507 28.5480 28.5480 35.9785 35.9785 36.0688 36.0688 36.8687 36.8687 44.9331 44.9331 k = 0.3594 0.2075 0.1467 ( 1607 PWs) bands (ev): 3.2814 3.2814 10.0009 10.0009 20.8111 20.8111 21.6014 21.6014 24.0435 24.0435 24.7104 24.7104 26.1321 26.1321 28.4911 28.4911 36.1669 36.1669 36.2589 36.2589 37.1249 37.1249 45.0951 45.0951 k = 0.3672 0.2120 0.1499 ( 1607 PWs) bands (ev): 3.4196 3.4196 9.7702 9.7702 20.8548 20.8548 21.6461 21.6461 23.9184 23.9184 24.5802 24.5802 26.1144 26.1144 28.4366 28.4366 36.3562 36.3562 36.4501 36.4501 37.3837 37.3837 45.0312 45.0312 k = 0.3750 0.2165 0.1531 ( 1607 PWs) bands (ev): 3.5606 3.5606 9.5418 9.5418 20.9003 20.9003 21.6929 21.6929 23.7959 23.7959 24.4526 24.4526 26.0978 26.0978 28.3847 28.3847 36.5462 36.5462 36.6421 36.6421 37.6448 37.6448 44.8292 44.8292 k = 0.3828 0.2210 0.1563 ( 1601 PWs) bands (ev): 3.7044 3.7044 9.3157 9.3157 20.9475 20.9475 21.7420 21.7420 23.6761 23.6761 24.3275 24.3275 26.0822 26.0822 28.3355 28.3355 36.7365 36.7365 36.8345 36.8345 37.9082 37.9082 44.6157 44.6157 k = 0.3906 0.2255 0.1595 ( 1601 PWs) bands (ev): 3.8511 3.8511 9.0919 9.0919 20.9963 20.9963 21.7933 21.7933 23.5592 23.5592 24.2050 24.2050 26.0676 26.0676 28.2890 28.2890 36.9267 36.9267 37.0268 37.0268 38.1736 38.1736 44.4006 44.4006 k = 0.3984 0.2300 0.1627 ( 1601 PWs) bands (ev): 4.0006 4.0006 8.8705 8.8705 21.0467 21.0467 21.8468 21.8468 23.4452 23.4452 24.0850 24.0850 26.0541 26.0541 28.2454 28.2454 37.1161 37.1161 37.2186 37.2186 38.4411 38.4411 44.1864 44.1864 k = 0.4062 0.2345 0.1659 ( 1601 PWs) bands (ev): 4.1529 4.1529 8.6516 8.6516 21.0985 21.0985 21.9025 21.9025 23.3343 23.3343 23.9675 23.9675 26.0417 26.0417 28.2047 28.2047 37.3041 37.3041 37.4090 37.4090 38.7106 38.7106 43.9743 43.9743 k = 0.4141 0.2391 0.1690 ( 1601 PWs) bands (ev): 4.3080 4.3080 8.4352 8.4352 21.1517 21.1517 21.9605 21.9605 23.2267 23.2267 23.8526 23.8526 26.0303 26.0303 28.1670 28.1670 37.4899 37.4899 37.5974 37.5974 38.9818 38.9818 43.7655 43.7655 k = 0.4219 0.2436 0.1722 ( 1595 PWs) bands (ev): 4.4657 4.4657 8.2213 8.2213 21.2059 21.2059 22.0209 22.0209 23.1227 23.1227 23.7403 23.7403 26.0201 26.0201 28.1323 28.1323 37.6726 37.6726 37.7828 37.7828 39.2547 39.2547 43.5613 43.5613 k = 0.4297 0.2481 0.1754 ( 1595 PWs) bands (ev): 4.6262 4.6262 8.0100 8.0100 21.2610 21.2610 22.0836 22.0836 23.0226 23.0226 23.6305 23.6305 26.0107 26.0107 28.1007 28.1007 37.8508 37.8508 37.9637 37.9637 39.5291 39.5291 43.3631 43.3631 k = 0.4375 0.2526 0.1786 ( 1595 PWs) bands (ev): 4.7893 4.7893 7.8014 7.8014 21.3164 21.3164 22.1486 22.1486 22.9266 22.9266 23.5232 23.5232 26.0024 26.0024 28.0723 28.0723 38.0228 38.0228 38.1386 38.1386 39.8049 39.8049 43.1726 43.1726 k = 0.4453 0.2571 0.1818 ( 1601 PWs) bands (ev): 4.9549 4.9549 7.5956 7.5956 21.3717 21.3717 22.2160 22.2160 22.8356 22.8356 23.4185 23.4185 25.9952 25.9952 28.0471 28.0471 38.1865 38.1865 38.3052 38.3052 40.0818 40.0818 42.9916 42.9916 k = 0.4531 0.2616 0.1850 ( 1595 PWs) bands (ev): 5.1230 5.1230 7.3927 7.3927 21.4261 21.4261 22.2858 22.2858 22.7502 22.7502 23.3164 23.3164 25.9889 25.9889 28.0252 28.0252 38.3402 38.3402 38.4618 38.4618 40.3598 40.3598 42.8228 42.8228 k = 0.4609 0.2661 0.1882 ( 1595 PWs) bands (ev): 5.2931 5.2931 7.1930 7.1930 21.4784 21.4784 22.3580 22.3580 22.6716 22.6716 23.2168 23.2168 25.9836 25.9836 28.0065 28.0065 38.4802 38.4802 38.6049 38.6049 40.6383 40.6383 42.6688 42.6688 k = 0.4688 0.2706 0.1914 ( 1595 PWs) bands (ev): 5.4650 5.4650 6.9970 6.9970 21.5270 21.5270 22.4326 22.4326 22.6015 22.6015 23.1198 23.1198 25.9793 25.9793 27.9912 27.9912 38.6033 38.6033 38.7309 38.7309 40.9169 40.9169 42.5324 42.5324 k = 0.4766 0.2751 0.1946 ( 1595 PWs) bands (ev): 5.6375 5.6375 6.8057 6.8057 21.5698 21.5698 22.5096 22.5096 22.5420 22.5420 23.0254 23.0254 25.9760 25.9760 27.9793 27.9793 38.7055 38.7055 38.8357 38.8357 41.1947 41.1947 42.4155 42.4155 k = 0.4844 0.2797 0.1977 ( 1586 PWs) bands (ev): 5.8079 5.8079 6.6219 6.6219 21.6040 21.6040 22.4959 22.4959 22.5890 22.5890 22.9336 22.9336 25.9739 25.9739 27.9707 27.9707 38.7827 38.7827 38.9151 38.9151 41.4700 41.4700 42.3148 42.3148 k = 0.4922 0.2842 0.2009 ( 1586 PWs) bands (ev): 5.9653 5.9653 6.4564 6.4564 21.6263 21.6263 22.4664 22.4664 22.6703 22.6703 22.8448 22.8448 25.9725 25.9725 27.9656 27.9656 38.8308 38.8308 38.9645 38.9645 41.7359 41.7359 42.2029 42.2029 k = 0.5000 0.2887 0.2041 ( 1568 PWs) bands (ev): 6.0508 6.0508 6.3682 6.3682 21.6341 21.6341 22.4562 22.4562 22.7405 22.7405 22.7722 22.7722 25.9724 25.9724 27.9639 27.9639 38.8487 38.8487 38.9830 38.9830 41.9301 41.9301 42.0675 42.0675 k = 0.5000 0.2887 0.2041 ( 1568 PWs) bands (ev): 6.0508 6.0508 6.3682 6.3682 21.6341 21.6341 22.4562 22.4562 22.7405 22.7405 22.7722 22.7722 25.9724 25.9724 27.9639 27.9639 38.8487 38.8487 38.9830 38.9830 41.9301 41.9301 42.0675 42.0675 k = 0.5028 0.2807 0.2087 ( 1585 PWs) bands (ev): 6.0522 6.0522 6.3696 6.3696 21.6032 21.6032 22.3655 22.3655 22.7903 22.7903 22.8197 22.8197 25.9896 25.9896 27.9770 27.9770 38.8362 38.8362 38.9705 38.9705 41.8257 41.8257 42.1089 42.1089 k = 0.5056 0.2726 0.2132 ( 1589 PWs) bands (ev): 6.0563 6.0563 6.3739 6.3739 21.5166 21.5166 22.1952 22.1952 22.8365 22.8365 22.9590 22.9590 26.0421 26.0421 28.0163 28.0163 38.7989 38.7989 38.9420 38.9420 41.6508 41.6508 42.1592 42.1592 k = 0.5083 0.2646 0.2177 ( 1591 PWs) bands (ev): 6.0631 6.0631 6.3810 6.3810 21.3863 21.3863 22.0049 22.0049 22.8915 22.8915 23.1078 23.1078 26.1280 26.1280 28.0814 28.0814 38.7280 38.7280 38.9069 38.9069 41.4650 41.4650 42.2164 42.2164 k = 0.5111 0.2566 0.2223 ( 1591 PWs) bands (ev): 6.0727 6.0727 6.3910 6.3910 21.2223 21.2223 21.8094 21.8094 22.9378 22.9378 23.2622 23.2622 26.2442 26.2442 28.1714 28.1714 38.6226 38.6226 38.8707 38.8707 41.2789 41.2789 42.2829 42.2829 k = 0.5139 0.2486 0.2268 ( 1591 PWs) bands (ev): 6.0850 6.0850 6.4038 6.4038 21.0310 21.0310 21.6159 21.6159 22.9656 22.9656 23.4234 23.4234 26.3870 26.3870 28.2856 28.2856 38.4880 38.4880 38.8326 38.8326 41.0960 41.0960 42.3556 42.3556 k = 0.5167 0.2406 0.2313 ( 1593 PWs) bands (ev): 6.1000 6.1000 6.4194 6.4194 20.8165 20.8165 21.4285 21.4285 22.9717 22.9717 23.5914 23.5914 26.5517 26.5517 28.4231 28.4231 38.3303 38.3303 38.7911 38.7911 40.9172 40.9172 42.4312 42.4312 k = 0.5194 0.2325 0.2359 ( 1591 PWs) bands (ev): 6.1177 6.1177 6.4379 6.4379 20.5828 20.5828 21.2490 21.2490 22.9571 22.9571 23.7653 23.7653 26.7337 26.7337 28.5829 28.5829 38.1548 38.1548 38.7461 38.7461 40.7432 40.7432 42.5087 42.5087 k = 0.5222 0.2245 0.2404 ( 1595 PWs) bands (ev): 6.1381 6.1381 6.4591 6.4591 20.3342 20.3342 21.0770 21.0770 22.9242 22.9242 23.9442 23.9442 26.9283 26.9283 28.7639 28.7639 37.9650 37.9650 38.6972 38.6972 40.5739 40.5739 42.5884 42.5884 k = 0.5250 0.2165 0.2449 ( 1599 PWs) bands (ev): 6.1612 6.1612 6.4832 6.4832 20.0743 20.0743 20.9115 20.9115 22.8759 22.8759 24.1273 24.1273 27.1316 27.1316 28.9651 28.9651 37.7641 37.7641 38.6453 38.6453 40.4092 40.4092 42.6709 42.6709 k = 0.5278 0.2085 0.2495 ( 1599 PWs) bands (ev): 6.1870 6.1870 6.5100 6.5100 19.8064 19.8064 20.7515 20.7515 22.8149 22.8149 24.3139 24.3139 27.3407 27.3407 29.1853 29.1853 37.5548 37.5548 38.5909 38.5909 40.2493 40.2493 42.7568 42.7568 k = 0.5306 0.2005 0.2540 ( 1597 PWs) bands (ev): 6.2154 6.2154 6.5396 6.5396 19.5328 19.5328 20.5962 20.5962 22.7437 22.7437 24.5036 24.5036 27.5530 27.5530 29.4231 29.4231 37.3389 37.3389 38.5345 38.5345 40.0941 40.0941 42.8460 42.8460 k = 0.5333 0.1925 0.2586 ( 1593 PWs) bands (ev): 6.2464 6.2464 6.5720 6.5720 19.2554 19.2554 20.4448 20.4448 22.6644 22.6644 24.6958 24.6958 27.7671 27.7671 29.6770 29.6770 37.1184 37.1184 38.4766 38.4766 39.9435 39.9435 42.9383 42.9383 k = 0.5361 0.1844 0.2631 ( 1593 PWs) bands (ev): 6.2801 6.2801 6.6071 6.6071 18.9756 18.9756 20.2971 20.2971 22.5787 22.5787 24.8903 24.8903 27.9815 27.9815 29.9452 29.9452 36.8943 36.8943 38.4176 38.4176 39.7972 39.7972 43.0332 43.0332 k = 0.5389 0.1764 0.2676 ( 1595 PWs) bands (ev): 6.3163 6.3163 6.6449 6.6449 18.6944 18.6944 20.1526 20.1526 22.4879 22.4879 25.0868 25.0868 28.1957 28.1957 30.2262 30.2262 36.6680 36.6680 38.3578 38.3578 39.6554 39.6554 43.1301 43.1301 k = 0.5417 0.1684 0.2722 ( 1591 PWs) bands (ev): 6.3551 6.3551 6.6854 6.6854 18.4129 18.4129 20.0113 20.0113 22.3933 22.3933 25.2851 25.2851 28.4097 28.4097 30.5181 30.5181 36.4406 36.4406 38.2984 38.2984 39.5181 39.5181 43.2290 43.2290 k = 0.5444 0.1604 0.2767 ( 1589 PWs) bands (ev): 6.3963 6.3963 6.7286 6.7286 18.1315 18.1315 19.8731 19.8731 22.2958 22.2958 25.4849 25.4849 28.6232 28.6232 30.8190 30.8190 36.2131 36.2131 38.2395 38.2395 39.3853 39.3853 43.3293 43.3293 k = 0.5472 0.1524 0.2812 ( 1589 PWs) bands (ev): 6.4401 6.4401 6.7744 6.7744 17.8510 17.8510 19.7377 19.7377 22.1962 22.1962 25.6861 25.6861 28.8363 28.8363 31.1272 31.1272 35.9866 35.9866 38.1813 38.1813 39.2571 39.2571 43.4302 43.4302 k = 0.5500 0.1443 0.2858 ( 1587 PWs) bands (ev): 6.4862 6.4862 6.8228 6.8228 17.5718 17.5718 19.6054 19.6054 22.0951 22.0951 25.8885 25.8885 29.0490 29.0490 31.4406 31.4406 35.7624 35.7624 38.1247 38.1247 39.1337 39.1337 43.5315 43.5315 k = 0.5528 0.1363 0.2903 ( 1588 PWs) bands (ev): 6.5347 6.5347 6.8738 6.8738 17.2943 17.2943 19.4758 19.4758 21.9929 21.9929 26.0918 26.0918 29.2613 29.2613 31.7569 31.7569 35.5419 35.5419 38.0695 38.0695 39.0152 39.0152 43.6323 43.6323 k = 0.5556 0.1283 0.2948 ( 1590 PWs) bands (ev): 6.5854 6.5854 6.9274 6.9274 17.0189 17.0189 19.3492 19.3492 21.8903 21.8903 26.2960 26.2960 29.4731 29.4731 32.0733 32.0733 35.3272 35.3272 38.0163 38.0163 38.9018 38.9018 43.7322 43.7322 k = 0.5583 0.1203 0.2994 ( 1590 PWs) bands (ev): 6.6383 6.6383 6.9834 6.9834 16.7460 16.7460 19.2254 19.2254 21.7874 21.7874 26.5009 26.5009 29.6844 29.6844 32.3861 32.3861 35.1215 35.1215 37.9656 37.9656 38.7941 38.7941 43.8307 43.8307 k = 0.5611 0.1123 0.3039 ( 1590 PWs) bands (ev): 6.6932 6.6932 7.0420 7.0420 16.4758 16.4758 19.1044 19.1044 21.6846 21.6846 26.7061 26.7061 29.8949 29.8949 32.6890 32.6890 34.9303 34.9303 37.9175 37.9175 38.6922 38.6922 43.9273 43.9273 k = 0.5639 0.1042 0.3085 ( 1590 PWs) bands (ev): 6.7501 6.7501 7.1030 7.1030 16.2088 16.2088 18.9863 18.9863 21.5822 21.5822 26.9117 26.9117 30.1043 30.1043 32.9708 32.9708 34.7644 34.7644 37.8725 37.8725 38.5971 38.5971 44.0205 44.0205 k = 0.5667 0.0962 0.3130 ( 1588 PWs) bands (ev): 6.8088 6.8088 7.1664 7.1664 15.9453 15.9453 18.8711 18.8711 21.4803 21.4803 27.1172 27.1172 30.3120 30.3120 33.2098 33.2098 34.6451 34.6451 37.8308 37.8308 38.5093 38.5093 44.1090 44.1090 k = 0.5694 0.0882 0.3175 ( 1588 PWs) bands (ev): 6.8692 6.8692 7.2323 7.2323 15.6855 15.6855 18.7587 18.7587 21.3791 21.3791 27.3227 27.3227 30.5171 30.5171 33.3684 33.3684 34.6088 34.6088 37.7928 37.7928 38.4298 38.4298 44.1870 44.1870 k = 0.5722 0.0802 0.3221 ( 1588 PWs) bands (ev): 6.9309 6.9309 7.3005 7.3005 15.4297 15.4297 18.6492 18.6492 21.2788 21.2788 27.5277 27.5277 30.7182 30.7182 33.4128 33.4128 34.6895 34.6895 37.7589 37.7589 38.3600 38.3600 44.2322 44.2322 k = 0.5750 0.0722 0.3266 ( 1589 PWs) bands (ev): 6.9938 6.9938 7.3711 7.3711 15.1785 15.1785 18.5426 18.5426 21.1795 21.1795 27.7322 27.7322 30.9135 30.9135 33.3576 33.3576 34.8719 34.8719 37.7293 37.7293 38.3018 38.3018 44.2279 44.2279 k = 0.5778 0.0642 0.3311 ( 1591 PWs) bands (ev): 7.0576 7.0576 7.4441 7.4441 14.9320 14.9320 18.4388 18.4388 21.0813 21.0813 27.9357 27.9357 31.0994 31.0994 33.2489 33.2489 35.1102 35.1102 37.7045 37.7045 38.2574 38.2574 44.2000 44.2000 k = 0.5806 0.0561 0.3357 ( 1595 PWs) bands (ev): 7.1219 7.1219 7.5194 7.5194 14.6908 14.6908 18.3380 18.3380 20.9843 20.9843 28.1382 28.1382 31.2705 31.2705 33.1229 33.1229 35.3693 35.3693 37.6845 37.6845 38.2303 38.2303 44.1605 44.1605 k = 0.5833 0.0481 0.3402 ( 1595 PWs) bands (ev): 7.1863 7.1863 7.5972 7.5972 14.4553 14.4553 18.2401 18.2401 20.8885 20.8885 28.3392 28.3392 31.4183 31.4183 33.0044 33.0044 35.6289 35.6289 37.6703 37.6703 38.2252 38.2252 44.1123 44.1123 k = 0.5861 0.0401 0.3447 ( 1595 PWs) bands (ev): 7.2503 7.2503 7.6773 7.6773 14.2260 14.2260 18.1451 18.1451 20.7940 20.7940 28.5386 28.5386 31.5287 31.5287 32.9144 32.9144 35.8752 35.8752 37.6619 37.6619 38.2477 38.2477 44.0570 44.0570 k = 0.5889 0.0321 0.3493 ( 1599 PWs) bands (ev): 7.3134 7.3134 7.7600 7.7600 14.0034 14.0034 18.0530 18.0530 20.7008 20.7008 28.7360 28.7360 31.5843 31.5843 32.8738 32.8738 36.0973 36.0973 37.6592 37.6592 38.3041 38.3041 43.9958 43.9958 k = 0.5917 0.0241 0.3538 ( 1597 PWs) bands (ev): 7.3748 7.3748 7.8451 7.8451 13.7883 13.7883 17.9639 17.9639 20.6090 20.6090 28.9311 28.9311 31.5741 31.5741 32.8954 32.8954 36.2880 36.2880 37.6629 37.6629 38.4001 38.4001 43.9303 43.9303 k = 0.5944 0.0160 0.3584 ( 1597 PWs) bands (ev): 7.4339 7.4339 7.9329 7.9329 13.5813 13.5813 17.8778 17.8778 20.5186 20.5186 29.1236 29.1236 31.5035 31.5035 32.9743 32.9743 36.4432 36.4432 37.6725 37.6725 38.5381 38.5381 43.8609 43.8609 k = 0.5972 0.0080 0.3629 ( 1599 PWs) bands (ev): 7.4898 7.4898 8.0233 8.0233 13.3832 13.3832 17.7945 17.7945 20.4296 20.4296 29.3132 29.3132 31.3897 31.3897 33.0932 33.0932 36.5642 36.5642 37.6881 37.6881 38.7155 38.7155 43.7899 43.7899 k = 0.6000-0.0000 0.3674 ( 1605 PWs) bands (ev): 7.5416 7.5416 8.1164 8.1164 13.1950 13.1950 17.7143 17.7143 20.3421 20.3421 29.4995 29.4995 31.2491 31.2491 33.2350 33.2350 36.6568 36.6568 37.7105 37.7105 38.9255 38.9255 43.7181 43.7181 k = 0.6028-0.0080 0.3720 ( 1597 PWs) bands (ev): 7.5881 7.5881 8.2124 8.2124 13.0176 13.0176 17.6370 17.6370 20.2560 20.2560 29.6822 29.6822 31.0934 31.0934 33.3880 33.3880 36.7296 36.7296 37.7403 37.7403 39.1588 39.1588 43.6482 43.6482 k = 0.6056-0.0160 0.3765 ( 1599 PWs) bands (ev): 7.6284 7.6284 8.3112 8.3112 12.8521 12.8521 17.5627 17.5627 20.1714 20.1714 29.8610 29.8610 30.9290 30.9290 33.5441 33.5441 36.7899 36.7899 37.7773 37.7773 39.4060 39.4060 43.5813 43.5813 k = 0.6083-0.0241 0.3810 ( 1599 PWs) bands (ev): 7.6611 7.6611 8.4130 8.4130 12.6997 12.6997 17.4913 17.4913 20.0882 20.0882 30.0354 30.0354 30.7604 30.7604 33.6979 33.6979 36.8453 36.8453 37.8222 37.8222 39.6582 39.6582 43.5204 43.5204 k = 0.6111-0.0321 0.3856 ( 1602 PWs) bands (ev): 7.6851 7.6851 8.5176 8.5176 12.5615 12.5615 17.4230 17.4230 20.0065 20.0065 30.2052 30.2052 30.5900 30.5900 33.8455 33.8455 36.9012 36.9012 37.8754 37.8754 39.9074 39.9074 43.4677 43.4677 k = 0.6139-0.0401 0.3901 ( 1602 PWs) bands (ev): 7.6991 7.6991 8.6253 8.6253 12.4388 12.4388 17.3576 17.3576 19.9262 19.9262 30.3678 30.3678 30.4216 30.4216 33.9841 33.9841 36.9625 36.9625 37.9368 37.9368 40.1462 40.1462 43.4281 43.4281 k = 0.6167-0.0481 0.3946 ( 1602 PWs) bands (ev): 7.7020 7.7020 8.7358 8.7358 12.3328 12.3328 17.2952 17.2952 19.8473 19.8473 30.2483 30.2483 30.5311 30.5311 34.1112 34.1112 37.0323 37.0323 38.0070 38.0070 40.3673 40.3673 43.4054 43.4054 k = 0.6194-0.0561 0.3992 ( 1604 PWs) bands (ev): 7.6929 7.6929 8.8494 8.8494 12.2444 12.2444 17.2358 17.2358 19.7698 19.7698 30.0803 30.0803 30.6854 30.6854 34.2251 34.2251 37.1129 37.1129 38.0859 38.0859 40.5638 40.5638 43.4036 43.4036 k = 0.6222-0.0642 0.4037 ( 1608 PWs) bands (ev): 7.6709 7.6709 8.9658 8.9658 12.1744 12.1744 17.1794 17.1794 19.6937 19.6937 29.9143 29.9143 30.8343 30.8343 34.3245 34.3245 37.2054 37.2054 38.1735 38.1735 40.7296 40.7296 43.4276 43.4276 k = 0.6250-0.0722 0.4082 ( 1608 PWs) bands (ev): 7.6356 7.6356 9.0851 9.0851 12.1234 12.1234 17.1260 17.1260 19.6190 19.6190 29.7509 29.7509 30.9775 30.9775 34.4094 34.4094 37.3103 37.3103 38.2703 38.2703 40.8600 40.8600 43.4795 43.4795 k = 0.6250-0.0722 0.4082 ( 1608 PWs) bands (ev): 7.6356 7.6356 9.0851 9.0851 12.1234 12.1234 17.1260 17.1260 19.6190 19.6190 29.7509 29.7509 30.9775 30.9775 34.4094 34.4094 37.3103 37.3103 38.2703 38.2703 40.8600 40.8600 43.4795 43.4795 k = 0.6202-0.0694 0.4161 ( 1608 PWs) bands (ev): 7.6371 7.6371 9.0855 9.0855 12.1247 12.1247 17.0978 17.0978 19.6494 19.6494 29.7536 29.7536 30.9545 30.9545 34.4329 34.4329 37.2611 37.2611 38.3155 38.3155 40.8636 40.8636 43.4805 43.4805 k = 0.6154-0.0666 0.4240 ( 1610 PWs) bands (ev): 7.6416 7.6416 9.0869 9.0869 12.1285 12.1285 17.0170 17.0170 19.7370 19.7370 29.7618 29.7618 30.8873 30.8873 34.5017 34.5017 37.1343 37.1343 38.4296 38.4296 40.8747 40.8747 43.4833 43.4833 k = 0.6106-0.0638 0.4318 ( 1608 PWs) bands (ev): 7.6490 7.6490 9.0891 9.0891 12.1350 12.1350 16.8932 16.8932 19.8720 19.8720 29.7752 29.7752 30.7812 30.7812 34.6104 34.6104 36.9636 36.9636 38.5782 38.5782 40.8939 40.8939 43.4882 43.4882 k = 0.6058-0.0611 0.4397 ( 1610 PWs) bands (ev): 7.6594 7.6594 9.0921 9.0921 12.1441 12.1441 16.7374 16.7374 20.0435 20.0435 29.7936 29.7936 30.6430 30.6430 34.7527 34.7527 36.7703 36.7703 38.7390 38.7390 40.9226 40.9226 43.4948 43.4948 k = 0.6010-0.0583 0.4475 ( 1605 PWs) bands (ev): 7.6728 7.6728 9.0959 9.0959 12.1557 12.1557 16.5592 16.5592 20.2420 20.2420 29.8158 29.8158 30.4806 30.4806 34.9215 34.9215 36.5654 36.5654 38.8998 38.8998 40.9625 40.9625 43.5034 43.5034 k = 0.5962-0.0555 0.4554 ( 1608 PWs) bands (ev): 7.6892 7.6892 9.1002 9.1002 12.1699 12.1699 16.3661 16.3661 20.4600 20.4600 29.8384 29.8384 30.3033 30.3033 35.1103 35.1103 36.3534 36.3534 39.0526 39.0526 41.0156 41.0156 43.5135 43.5135 k = 0.5913-0.0527 0.4632 ( 1604 PWs) bands (ev): 7.7085 7.7085 9.1051 9.1051 12.1867 12.1867 16.1635 16.1635 20.6921 20.6921 29.8468 29.8468 30.1310 30.1310 35.3130 35.3130 36.1394 36.1394 39.1925 39.1925 41.0843 41.0843 43.5256 43.5256 k = 0.5865-0.0500 0.4711 ( 1606 PWs) bands (ev): 7.7307 7.7307 9.1101 9.1101 12.2060 12.2060 15.9552 15.9552 20.9345 20.9345 29.7744 29.7744 30.0339 30.0339 35.5199 35.5199 35.9298 35.9298 39.3154 39.3154 41.1704 41.1704 43.5392 43.5392 k = 0.5817-0.0472 0.4789 ( 1610 PWs) bands (ev): 7.7559 7.7559 9.1153 9.1153 12.2278 12.2278 15.7442 15.7442 21.1845 21.1845 29.5933 29.5933 30.0428 30.0428 35.6302 35.6302 35.8234 35.8234 39.4186 39.4186 41.2750 41.2750 43.5545 43.5545 k = 0.5769-0.0444 0.4868 ( 1608 PWs) bands (ev): 7.7840 7.7840 9.1203 9.1203 12.2522 12.2522 15.5326 15.5326 21.4401 21.4401 29.3758 29.3758 30.0884 30.0884 35.4516 35.4516 36.0109 36.0109 39.5014 39.5014 41.3981 41.3981 43.5715 43.5715 k = 0.5721-0.0416 0.4946 ( 1608 PWs) bands (ev): 7.8150 7.8150 9.1248 9.1248 12.2790 12.2790 15.3220 15.3220 21.6995 21.6995 29.1460 29.1460 30.1482 30.1482 35.2359 35.2359 36.2385 36.2385 39.5638 39.5638 41.5383 41.5383 43.5897 43.5897 k = 0.5673-0.0389 0.5025 ( 1605 PWs) bands (ev): 7.8488 7.8488 9.1285 9.1285 12.3083 12.3083 15.1140 15.1140 21.9618 21.9618 28.9100 28.9100 30.2177 30.2177 35.0166 35.0166 36.4715 36.4715 39.6075 39.6075 41.6933 41.6933 43.6092 43.6092 k = 0.5625-0.0361 0.5103 ( 1599 PWs) bands (ev): 7.8855 7.8855 9.1310 9.1310 12.3399 12.3399 14.9097 14.9097 22.2257 22.2257 28.6704 28.6704 30.2956 30.2956 34.7972 34.7972 36.7052 36.7052 39.6345 39.6345 41.8602 41.8602 43.6300 43.6300 k = 0.5577-0.0333 0.5182 ( 1601 PWs) bands (ev): 7.9249 7.9249 9.1319 9.1319 12.3740 12.3740 14.7102 14.7102 22.4906 22.4906 28.4284 28.4284 30.3813 30.3813 34.5777 34.5777 36.9372 36.9372 39.6470 39.6470 42.0356 42.0356 43.6505 43.6505 k = 0.5529-0.0305 0.5260 ( 1603 PWs) bands (ev): 7.9671 7.9671 9.1308 9.1308 12.4103 12.4103 14.5166 14.5166 22.7555 22.7555 28.1851 28.1851 30.4751 30.4751 34.3593 34.3593 37.1658 37.1658 39.6470 39.6470 42.2167 42.2167 43.6702 43.6702 k = 0.5481-0.0278 0.5339 ( 1601 PWs) bands (ev): 8.0118 8.0118 9.1271 9.1271 12.4488 12.4488 14.3300 14.3300 23.0200 23.0200 27.9412 27.9412 30.5769 30.5769 34.1425 34.1425 37.3892 37.3892 39.6364 39.6364 42.4009 42.4009 43.6871 43.6871 k = 0.5433-0.0250 0.5417 ( 1603 PWs) bands (ev): 8.0590 8.0590 9.1203 9.1203 12.4895 12.4895 14.1513 14.1513 23.2833 23.2833 27.6972 27.6972 30.6870 30.6870 33.9269 33.9269 37.6060 37.6060 39.6166 39.6166 42.5848 42.5848 43.6965 43.6965 k = 0.5385-0.0222 0.5496 ( 1603 PWs) bands (ev): 8.1086 8.1086 9.1099 9.1099 12.5320 12.5320 13.9818 13.9818 23.5449 23.5449 27.4536 27.4536 30.8053 30.8053 33.7129 33.7129 37.8139 37.8139 39.5891 39.5891 42.7668 42.7668 43.6899 43.6899 k = 0.5337-0.0194 0.5574 ( 1603 PWs) bands (ev): 8.1601 8.1601 9.0954 9.0954 12.5762 12.5762 13.8226 13.8226 23.8044 23.8044 27.2107 27.2107 30.9322 30.9322 33.5006 33.5006 38.0113 38.0113 39.5549 39.5549 42.9439 42.9439 43.6631 43.6631 k = 0.5288-0.0167 0.5653 ( 1605 PWs) bands (ev): 8.2133 8.2133 9.0764 9.0764 12.6218 12.6218 13.6750 13.6750 24.0611 24.0611 26.9689 26.9689 31.0677 31.0677 33.2903 33.2903 38.1959 38.1959 39.5153 39.5153 43.1132 43.1132 43.6255 43.6255 k = 0.5240-0.0139 0.5731 ( 1609 PWs) bands (ev): 8.2674 8.2674 9.0529 9.0529 12.6680 12.6680 13.5406 13.5406 24.3144 24.3144 26.7286 26.7286 31.2120 31.2120 33.0818 33.0818 38.3649 38.3649 39.4715 39.4715 43.2709 43.2709 43.5873 43.5873 k = 0.5192-0.0111 0.5810 ( 1611 PWs) bands (ev): 8.3213 8.3213 9.0251 9.0251 12.7138 12.7138 13.4212 13.4212 24.5639 24.5639 26.4901 26.4901 31.3655 31.3655 32.8757 32.8757 38.5158 38.5158 39.4255 39.4255 43.4123 43.4123 43.5543 43.5543 k = 0.5144-0.0083 0.5888 ( 1610 PWs) bands (ev): 8.3732 8.3732 8.9944 8.9944 12.7573 12.7573 13.3196 13.3196 24.8085 24.8085 26.2543 26.2543 31.5282 31.5282 32.6719 32.6719 38.6442 38.6442 39.3803 39.3803 43.5059 43.5059 43.5566 43.5566 k = 0.5096-0.0056 0.5967 ( 1604 PWs) bands (ev): 8.4195 8.4195 8.9637 8.9637 12.7951 12.7951 13.2399 13.2399 25.0463 25.0463 26.0230 26.0230 31.7001 31.7001 32.4706 32.4706 38.7444 38.7444 39.3406 39.3406 43.4977 43.4977 43.6432 43.6432 k = 0.5048-0.0028 0.6045 ( 1604 PWs) bands (ev): 8.4540 8.4540 8.9386 8.9386 12.8213 12.8213 13.1883 13.1883 25.2698 25.2698 25.8034 25.8034 31.8806 31.8806 32.2723 32.2723 38.8084 38.8084 39.3130 39.3130 43.4866 43.4866 43.7058 43.7058 k = 0.5000-0.0000 0.6124 ( 1604 PWs) bands (ev): 8.4677 8.4677 8.9280 8.9280 12.8303 12.8303 13.1708 13.1708 25.4092 25.4092 25.6653 25.6653 32.0457 32.0457 32.1012 32.1012 38.8299 38.8299 39.3037 39.3037 43.4828 43.4828 43.7270 43.7270 k = 0.5000-0.0000 0.6124 ( 1604 PWs) bands (ev): 8.4677 8.4677 8.9280 8.9280 12.8303 12.8303 13.1708 13.1708 25.4092 25.4092 25.6653 25.6653 32.0457 32.0457 32.1012 32.1012 38.8299 38.8299 39.3037 39.3037 43.4828 43.4828 43.7270 43.7270 k = 0.5000 0.0056 0.6045 ( 1604 PWs) bands (ev): 8.4633 8.4633 8.9231 8.9231 12.8381 12.8381 13.1784 13.1784 25.4065 25.4065 25.6633 25.6633 32.0502 32.0502 32.1058 32.1058 38.8171 38.8171 39.2904 39.2904 43.4922 43.4922 43.7065 43.7065 k = 0.5000 0.0111 0.5967 ( 1604 PWs) bands (ev): 8.4502 8.4502 8.9084 8.9084 12.8611 12.8611 13.2008 13.2008 25.3984 25.3984 25.6574 25.6574 32.0637 32.0637 32.1195 32.1195 38.7785 38.7785 39.2510 39.2510 43.5191 43.5191 43.6490 43.6491 k = 0.5000 0.0167 0.5888 ( 1610 PWs) bands (ev): 8.4285 8.4285 8.8842 8.8842 12.8991 12.8991 13.2379 13.2379 25.3851 25.3851 25.6475 25.6475 32.0860 32.0860 32.1422 32.1422 38.7135 38.7135 39.1875 39.1875 43.5353 43.5354 43.5878 43.5878 k = 0.5000 0.0222 0.5810 ( 1610 PWs) bands (ev): 8.3989 8.3989 8.8512 8.8512 12.9516 12.9516 13.2892 13.2892 25.3666 25.3666 25.6338 25.6338 32.1170 32.1170 32.1739 32.1739 38.6217 38.6217 39.1027 39.1027 43.4384 43.4385 43.5562 43.5562 k = 0.5000 0.0278 0.5731 ( 1608 PWs) bands (ev): 8.3618 8.3618 8.8100 8.8100 13.0178 13.0178 13.3540 13.3540 25.3431 25.3431 25.6164 25.6164 32.1565 32.1565 32.2142 32.2142 38.5031 38.5031 38.9990 38.9990 43.3160 43.3160 43.4241 43.4241 k = 0.5000 0.0333 0.5653 ( 1604 PWs) bands (ev): 8.3178 8.3178 8.7614 8.7614 13.0970 13.0970 13.4318 13.4318 25.3150 25.3150 25.5955 25.5955 32.2042 32.2042 32.2629 32.2629 38.3591 38.3591 38.8781 38.8781 43.1866 43.1866 43.2834 43.2834 k = 0.5000 0.0389 0.5574 ( 1602 PWs) bands (ev): 8.2678 8.2678 8.7064 8.7064 13.1883 13.1883 13.5217 13.5217 25.2824 25.2824 25.5712 25.5712 32.2595 32.2595 32.3196 32.3196 38.1916 38.1916 38.7407 38.7407 43.0564 43.0564 43.1396 43.1396 k = 0.5000 0.0444 0.5496 ( 1596 PWs) bands (ev): 8.2123 8.2123 8.6457 8.6457 13.2909 13.2909 13.6230 13.6230 25.2458 25.2458 25.5437 25.5437 32.3222 32.3222 32.3841 32.3841 38.0037 38.0037 38.5873 38.5873 42.9292 42.9292 42.9961 42.9961 k = 0.5000 0.0500 0.5417 ( 1596 PWs) bands (ev): 8.1523 8.1523 8.5802 8.5802 13.4040 13.4040 13.7349 13.7349 25.2054 25.2054 25.5132 25.5132 32.3912 32.3912 32.4555 32.4555 37.7985 37.7985 38.4173 38.4173 42.8057 42.8057 42.8567 42.8567 k = 0.5000 0.0555 0.5339 ( 1596 PWs) bands (ev): 8.0883 8.0883 8.5108 8.5108 13.5268 13.5268 13.8565 13.8565 25.1615 25.1615 25.4800 25.4800 32.4658 32.4658 32.5338 32.5338 37.5796 37.5796 38.2311 38.2311 42.6817 42.6817 42.7288 42.7288 k = 0.5000 0.0611 0.5260 ( 1596 PWs) bands (ev): 8.0211 8.0211 8.4382 8.4382 13.6584 13.6584 13.9873 13.9873 25.1146 25.1146 25.4442 25.4442 32.5447 32.5447 32.6188 32.6188 37.3503 37.3503 38.0290 38.0290 42.5515 42.5515 42.6201 42.6201 k = 0.5000 0.0666 0.5182 ( 1594 PWs) bands (ev): 7.9512 7.9512 8.3631 8.3631 13.7983 13.7983 14.1265 14.1265 25.0650 25.0650 25.4061 25.4061 32.6261 32.6261 32.7104 32.7104 37.1139 37.1139 37.8119 37.8119 42.4192 42.4192 42.5280 42.5280 k = 0.5000 0.0722 0.5103 ( 1594 PWs) bands (ev): 7.8794 7.8794 8.2861 8.2861 13.9459 13.9459 14.2736 14.2736 25.0129 25.0129 25.3659 25.3659 32.7079 32.7079 32.8086 32.8086 36.8737 36.8737 37.5809 37.5809 42.2884 42.2884 42.4480 42.4480 k = 0.5000 0.0777 0.5025 ( 1592 PWs) bands (ev): 7.8060 7.8060 8.2078 8.2078 14.1004 14.1004 14.4279 14.4279 24.9588 24.9588 25.3239 25.3239 32.7871 32.7871 32.9135 32.9135 36.6332 36.6332 37.3374 37.3374 42.1610 42.1610 42.3790 42.3790 k = 0.5000 0.0833 0.4946 ( 1590 PWs) bands (ev): 7.7316 7.7316 8.1286 8.1286 14.2615 14.2615 14.5889 14.5889 24.9030 24.9030 25.2802 25.2802 32.8603 32.8603 33.0250 33.0250 36.3964 36.3964 37.0832 37.0832 42.0369 42.0369 42.3204 42.3204 k = 0.5000 0.0888 0.4868 ( 1590 PWs) bands (ev): 7.6566 7.6566 8.0489 8.0489 14.4288 14.4288 14.7563 14.7563 24.8457 24.8457 25.2352 25.2352 32.9230 32.9230 33.1425 33.1425 36.1676 36.1676 36.8205 36.8205 41.9167 41.9167 42.2704 42.2704 k = 0.5000 0.0944 0.4789 ( 1596 PWs) bands (ev): 7.5814 7.5814 7.9692 7.9692 14.6017 14.6017 14.9295 14.9295 24.7873 24.7873 25.1889 25.1889 32.9699 32.9699 33.2662 33.2662 35.9514 35.9514 36.5523 36.5523 41.7998 41.7998 42.2281 42.2281 k = 0.5000 0.0999 0.4711 ( 1596 PWs) bands (ev): 7.5063 7.5063 7.8899 7.8899 14.7799 14.7799 15.1082 15.1082 24.7281 24.7281 25.1416 25.1416 32.9940 32.9940 33.3955 33.3955 35.7521 35.7521 36.2835 36.2835 41.6873 41.6873 42.1934 42.1934 k = 0.5000 0.1055 0.4632 ( 1596 PWs) bands (ev): 7.4316 7.4316 7.8111 7.8111 14.9631 14.9631 15.2921 15.2921 24.6682 24.6682 25.0934 25.0934 32.9876 32.9876 33.5298 33.5298 35.5694 35.5694 36.0239 36.0239 41.5787 41.5787 42.1654 42.1654 k = 0.5000 0.1110 0.4554 ( 1598 PWs) bands (ev): 7.3576 7.3576 7.7331 7.7331 15.1510 15.1510 15.4809 15.4809 24.6080 24.6080 25.0445 25.0445 32.9433 32.9433 33.6684 33.6684 35.3896 35.3896 35.7965 35.7965 41.4740 41.4740 42.1429 42.1429 k = 0.5000 0.1166 0.4475 ( 1598 PWs) bands (ev): 7.2845 7.2845 7.6562 7.6562 15.3433 15.3433 15.6743 15.6743 24.5476 24.5476 24.9950 24.9950 32.8564 32.8564 33.8102 33.8102 35.1815 35.1815 35.6399 35.6399 41.3735 41.3735 42.1254 42.1254 k = 0.5000 0.1221 0.4397 ( 1592 PWs) bands (ev): 7.2125 7.2125 7.5807 7.5807 15.5397 15.5397 15.8720 15.8720 24.4873 24.4873 24.9451 24.9451 32.7265 32.7265 33.9526 33.9526 34.9336 34.9336 35.5696 35.5696 41.2774 41.2774 42.1127 42.1127 k = 0.5000 0.1277 0.4318 ( 1592 PWs) bands (ev): 7.1418 7.1418 7.5065 7.5065 15.7401 15.7401 16.0738 16.0738 24.4271 24.4271 24.8948 24.8948 32.5570 32.5570 34.0850 34.0850 34.6719 34.6719 35.5666 35.5666 41.1850 41.1850 42.1036 42.1036 k = 0.5000 0.1332 0.4240 ( 1594 PWs) bands (ev): 7.0726 7.0726 7.4340 7.4340 15.9441 15.9441 16.2796 16.2796 24.3673 24.3673 24.8443 24.8443 32.3544 32.3544 34.1411 34.1411 34.4771 34.4771 35.6115 35.6115 41.0964 41.0964 42.0979 42.0979 k = 0.5000 0.1388 0.4161 ( 1588 PWs) bands (ev): 7.0050 7.0050 7.3633 7.3633 16.1517 16.1517 16.4890 16.4890 24.3081 24.3081 24.7935 24.7935 32.1263 32.1263 33.9594 33.9594 34.5177 34.5177 35.6914 35.6914 41.0125 41.0125 42.0956 42.0956 k = 0.5000 0.1443 0.4082 ( 1584 PWs) bands (ev): 6.9391 6.9391 7.2944 7.2944 16.3625 16.3625 16.7020 16.7020 24.2495 24.2495 24.7425 24.7425 31.8784 31.8784 33.6767 33.6767 34.6594 34.6594 35.7972 35.7972 40.9327 40.9327 42.0958 42.0958 k = 0.5000 0.1499 0.4004 ( 1588 PWs) bands (ev): 6.8751 6.8751 7.2275 7.2275 16.5765 16.5765 16.9182 16.9182 24.1916 24.1916 24.6914 24.6914 31.6159 31.6159 33.3756 33.3756 34.8211 34.8211 35.9226 35.9226 40.8568 40.8568 42.0978 42.0978 k = 0.5000 0.1554 0.3925 ( 1594 PWs) bands (ev): 6.8130 6.8130 7.1626 7.1626 16.7932 16.7932 17.1376 17.1376 24.1345 24.1345 24.6401 24.6401 31.3430 31.3430 33.0692 33.0692 34.9912 34.9912 36.0630 36.0630 40.7856 40.7856 42.1014 42.1014 k = 0.5000 0.1610 0.3847 ( 1594 PWs) bands (ev): 6.7530 6.7530 7.1000 7.1000 17.0127 17.0127 17.3599 17.3599 24.0783 24.0783 24.5886 24.5886 31.0629 31.0629 32.7615 32.7615 35.1665 35.1665 36.2150 36.2150 40.7196 40.7196 42.1069 42.1069 k = 0.5000 0.1665 0.3768 ( 1594 PWs) bands (ev): 6.6952 6.6952 7.0396 7.0396 17.2347 17.2347 17.5850 17.5850 24.0231 24.0231 24.5369 24.5369 30.7775 30.7775 32.4543 32.4543 35.3461 35.3461 36.3761 36.3761 40.6582 40.6582 42.1137 42.1137 k = 0.5000 0.1721 0.3690 ( 1592 PWs) bands (ev): 6.6395 6.6395 6.9815 6.9815 17.4589 17.4589 17.8127 17.8127 23.9687 23.9687 24.4848 24.4848 30.4889 30.4889 32.1487 32.1487 35.5290 35.5290 36.5440 36.5440 40.6020 40.6020 42.1219 42.1219 k = 0.5000 0.1776 0.3611 ( 1590 PWs) bands (ev): 6.5861 6.5861 6.9259 6.9259 17.6852 17.6852 18.0427 18.0427 23.9153 23.9153 24.4322 24.4322 30.1986 30.1986 31.8458 31.8458 35.7149 35.7149 36.7170 36.7170 40.5516 40.5516 42.1308 42.1308 k = 0.5000 0.1832 0.3533 ( 1590 PWs) bands (ev): 6.5350 6.5350 6.8726 6.8726 17.9133 17.9133 18.2749 18.2749 23.8627 23.8627 24.3789 24.3789 29.9076 29.9076 31.5463 31.5463 35.9034 35.9034 36.8936 36.8936 40.5070 40.5070 42.1403 42.1403 k = 0.5000 0.1887 0.3454 ( 1588 PWs) bands (ev): 6.4863 6.4863 6.8218 6.8218 18.1429 18.1429 18.5091 18.5091 23.8110 23.8110 24.3248 24.3248 29.6171 29.6171 31.2512 31.2512 36.0941 36.0941 37.0724 37.0724 40.4692 40.4692 42.1502 42.1502 k = 0.5000 0.1943 0.3376 ( 1588 PWs) bands (ev): 6.4400 6.4400 6.7736 6.7736 18.3738 18.3738 18.7451 18.7451 23.7599 23.7599 24.2695 24.2695 29.3280 29.3280 30.9612 30.9612 36.2866 36.2866 37.2519 37.2519 40.4387 40.4387 42.1605 42.1605 k = 0.5000 0.1999 0.3297 ( 1590 PWs) bands (ev): 6.3962 6.3962 6.7279 6.7279 18.6057 18.6057 18.9824 18.9824 23.7093 23.7093 24.2128 24.2128 29.0413 29.0413 30.6772 30.6772 36.4805 36.4805 37.4306 37.4306 40.4164 40.4164 42.1708 42.1708 k = 0.5000 0.2054 0.3219 ( 1594 PWs) bands (ev): 6.3549 6.3549 6.6849 6.6849 18.8381 18.8381 19.2210 19.2210 23.6589 23.6589 24.1542 24.1542 28.7579 28.7579 30.4002 30.4002 36.6755 36.6755 37.6067 37.6067 40.4035 40.4035 42.1811 42.1811 k = 0.5000 0.2110 0.3140 ( 1598 PWs) bands (ev): 6.3161 6.3161 6.6445 6.6445 19.0707 19.0707 19.4605 19.4605 23.6085 23.6085 24.0934 24.0934 28.4787 28.4787 30.1312 30.1312 36.8712 36.8712 37.7786 37.7786 40.4013 40.4013 42.1912 42.1912 k = 0.5000 0.2165 0.3062 ( 1594 PWs) bands (ev): 6.2798 6.2798 6.6067 6.6067 19.3031 19.3031 19.7005 19.7005 23.5578 23.5578 24.0299 24.0299 28.2048 28.2048 29.8713 29.8713 37.0670 37.0670 37.9445 37.9445 40.4117 40.4117 42.2011 42.2011 k = 0.5000 0.2221 0.2983 ( 1596 PWs) bands (ev): 6.2462 6.2462 6.5717 6.5717 19.5345 19.5345 19.9406 19.9406 23.5061 23.5061 23.9630 23.9630 27.9374 27.9374 29.6216 29.6216 37.2619 37.2619 38.1017 38.1017 40.4364 40.4364 42.2104 42.2104 k = 0.5000 0.2276 0.2905 ( 1592 PWs) bands (ev): 6.2152 6.2152 6.5394 6.5394 19.7645 19.7645 20.1804 20.1804 23.4530 23.4530 23.8921 23.8921 27.6778 27.6778 29.3836 29.3836 37.4555 37.4555 38.2482 38.2482 40.4774 40.4774 42.2191 42.2191 k = 0.5000 0.2332 0.2826 ( 1592 PWs) bands (ev): 6.1868 6.1868 6.5098 6.5098 19.9921 19.9921 20.4194 20.4194 23.3978 23.3978 23.8166 23.8166 27.4275 27.4275 29.1587 29.1587 37.6463 37.6463 38.3815 38.3815 40.5363 40.5363 42.2268 42.2268 k = 0.5000 0.2387 0.2748 ( 1594 PWs) bands (ev): 6.1611 6.1611 6.4830 6.4830 20.2165 20.2165 20.6569 20.6569 23.3398 23.3398 23.7357 23.7357 27.1883 27.1883 28.9482 28.9482 37.8332 37.8332 38.4997 38.4997 40.6148 40.6148 42.2333 42.2333 k = 0.5000 0.2443 0.2669 ( 1594 PWs) bands (ev): 6.1380 6.1380 6.4590 6.4590 20.4363 20.4363 20.8922 20.8922 23.2780 23.2780 23.6486 23.6486 26.9623 26.9623 28.7540 28.7540 38.0145 38.0145 38.6021 38.6021 40.7137 40.7137 42.2382 42.2382 k = 0.5000 0.2498 0.2591 ( 1592 PWs) bands (ev): 6.1176 6.1176 6.4378 6.4378 20.6500 20.6500 21.1245 21.1245 23.2120 23.2120 23.5545 23.5545 26.7522 26.7522 28.5775 28.5775 38.1881 38.1881 38.6885 38.6885 40.8327 40.8327 42.2410 42.2410 k = 0.5000 0.2554 0.2512 ( 1592 PWs) bands (ev): 6.0999 6.0999 6.4193 6.4193 20.8555 20.8555 21.3528 21.3528 23.1411 23.1411 23.4524 23.4524 26.5603 26.5603 28.4205 28.4205 38.3507 38.3507 38.7598 38.7598 40.9700 40.9700 42.2406 42.2406 k = 0.5000 0.2609 0.2434 ( 1592 PWs) bands (ev): 6.0849 6.0849 6.4037 6.4037 21.0501 21.0501 21.5759 21.5759 23.0658 23.0658 23.3417 23.3417 26.3902 26.3902 28.2844 28.2844 38.4987 38.4987 38.8177 38.8177 41.1241 41.1241 42.2349 42.2349 k = 0.5000 0.2665 0.2355 ( 1592 PWs) bands (ev): 6.0727 6.0727 6.3910 6.3910 21.2297 21.2297 21.7923 21.7923 22.9876 22.9876 23.2217 23.2217 26.2451 26.2451 28.1709 28.1709 38.6271 38.6271 38.8651 38.8651 41.2920 41.2920 42.2209 42.2209 k = 0.5000 0.2720 0.2277 ( 1590 PWs) bands (ev): 6.0631 6.0631 6.3810 6.3810 21.3883 21.3883 21.9997 21.9997 22.9103 22.9103 23.0922 23.0922 26.1281 26.1281 28.0812 28.0812 38.7293 38.7293 38.9057 38.9057 41.4699 41.4699 42.1942 42.1942 k = 0.5000 0.2776 0.2198 ( 1590 PWs) bands (ev): 6.0563 6.0563 6.3739 6.3739 21.5169 21.5169 22.1944 22.1944 22.8410 22.8410 22.9550 22.9550 26.0421 26.0421 28.0163 28.0163 38.7989 38.7989 38.9419 38.9419 41.6522 41.6522 42.1551 42.1551 k = 0.5000 0.2831 0.2120 ( 1588 PWs) bands (ev): 6.0522 6.0522 6.3696 6.3696 21.6033 21.6033 22.3656 22.3656 22.7908 22.7908 22.8192 22.8192 25.9896 25.9896 27.9770 27.9770 38.8360 38.8360 38.9704 38.9704 41.8261 41.8261 42.1088 42.1088 k = 0.5000 0.2887 0.2041 ( 1568 PWs) bands (ev): 6.0508 6.0508 6.3682 6.3682 21.6341 21.6341 22.4562 22.4562 22.7405 22.7405 22.7722 22.7722 25.9724 25.9724 27.9639 27.9639 38.8487 38.8487 38.9830 38.9830 41.9301 41.9301 42.0675 42.0675 k = 0.5000 0.2887 0.2041 ( 1568 PWs) bands (ev): 6.0508 6.0508 6.3682 6.3682 21.6341 21.6341 22.4562 22.4562 22.7405 22.7405 22.7722 22.7722 25.9724 25.9724 27.9639 27.9639 38.8487 38.8487 38.9830 38.9830 41.9301 41.9301 42.0675 42.0675 k = 0.4972 0.2871 0.2132 ( 1585 PWs) bands (ev): 6.0522 6.0522 6.3696 6.3696 21.6032 21.6032 22.3655 22.3655 22.7903 22.7903 22.8197 22.8197 25.9896 25.9896 27.9770 27.9770 38.8362 38.8362 38.9705 38.9705 41.8257 41.8257 42.1090 42.1090 k = 0.4944 0.2855 0.2223 ( 1589 PWs) bands (ev): 6.0563 6.0563 6.3739 6.3739 21.5166 21.5166 22.1952 22.1952 22.8365 22.8365 22.9590 22.9590 26.0421 26.0421 28.0163 28.0163 38.7989 38.7989 38.9420 38.9420 41.6508 41.6508 42.1592 42.1592 k = 0.4917 0.2839 0.2313 ( 1591 PWs) bands (ev): 6.0631 6.0631 6.3810 6.3810 21.3863 21.3863 22.0049 22.0049 22.8915 22.8915 23.1078 23.1078 26.1280 26.1280 28.0814 28.0814 38.7280 38.7280 38.9069 38.9069 41.4650 41.4650 42.2164 42.2164 k = 0.4889 0.2823 0.2404 ( 1591 PWs) bands (ev): 6.0727 6.0727 6.3910 6.3910 21.2223 21.2223 21.8094 21.8094 22.9378 22.9378 23.2622 23.2622 26.2442 26.2442 28.1714 28.1714 38.6226 38.6226 38.8707 38.8707 41.2789 41.2789 42.2829 42.2829 k = 0.4861 0.2807 0.2495 ( 1591 PWs) bands (ev): 6.0850 6.0850 6.4038 6.4038 21.0310 21.0310 21.6159 21.6159 22.9656 22.9656 23.4234 23.4234 26.3870 26.3870 28.2856 28.2856 38.4880 38.4880 38.8326 38.8326 41.0960 41.0960 42.3556 42.3556 k = 0.4833 0.2791 0.2586 ( 1593 PWs) bands (ev): 6.1000 6.1000 6.4194 6.4194 20.8165 20.8165 21.4285 21.4285 22.9717 22.9717 23.5914 23.5914 26.5517 26.5517 28.4231 28.4231 38.3303 38.3303 38.7911 38.7911 40.9172 40.9172 42.4312 42.4312 k = 0.4806 0.2774 0.2676 ( 1591 PWs) bands (ev): 6.1177 6.1177 6.4379 6.4379 20.5828 20.5828 21.2490 21.2490 22.9571 22.9571 23.7653 23.7653 26.7337 26.7337 28.5829 28.5829 38.1548 38.1548 38.7461 38.7461 40.7432 40.7432 42.5087 42.5087 k = 0.4778 0.2758 0.2767 ( 1595 PWs) bands (ev): 6.1381 6.1381 6.4591 6.4591 20.3342 20.3342 21.0770 21.0770 22.9242 22.9242 23.9442 23.9442 26.9283 26.9283 28.7639 28.7639 37.9650 37.9650 38.6972 38.6972 40.5739 40.5739 42.5884 42.5884 k = 0.4750 0.2742 0.2858 ( 1599 PWs) bands (ev): 6.1612 6.1612 6.4832 6.4832 20.0743 20.0743 20.9115 20.9115 22.8759 22.8759 24.1273 24.1273 27.1316 27.1316 28.9651 28.9651 37.7641 37.7641 38.6453 38.6453 40.4092 40.4092 42.6709 42.6709 k = 0.4722 0.2726 0.2948 ( 1599 PWs) bands (ev): 6.1870 6.1870 6.5100 6.5100 19.8064 19.8064 20.7515 20.7515 22.8149 22.8149 24.3139 24.3139 27.3407 27.3407 29.1853 29.1853 37.5548 37.5548 38.5909 38.5909 40.2493 40.2493 42.7568 42.7568 k = 0.4694 0.2710 0.3039 ( 1597 PWs) bands (ev): 6.2154 6.2154 6.5396 6.5396 19.5328 19.5328 20.5962 20.5962 22.7437 22.7437 24.5036 24.5036 27.5530 27.5530 29.4231 29.4231 37.3389 37.3389 38.5345 38.5345 40.0941 40.0941 42.8460 42.8460 k = 0.4667 0.2694 0.3130 ( 1593 PWs) bands (ev): 6.2464 6.2464 6.5720 6.5720 19.2554 19.2554 20.4448 20.4448 22.6644 22.6644 24.6958 24.6958 27.7671 27.7671 29.6770 29.6770 37.1184 37.1184 38.4766 38.4766 39.9435 39.9435 42.9383 42.9383 k = 0.4639 0.2678 0.3221 ( 1593 PWs) bands (ev): 6.2801 6.2801 6.6071 6.6071 18.9756 18.9756 20.2971 20.2971 22.5787 22.5787 24.8903 24.8903 27.9815 27.9815 29.9452 29.9452 36.8943 36.8943 38.4176 38.4176 39.7972 39.7972 43.0332 43.0332 k = 0.4611 0.2662 0.3311 ( 1595 PWs) bands (ev): 6.3163 6.3163 6.6449 6.6449 18.6944 18.6944 20.1526 20.1526 22.4879 22.4879 25.0868 25.0868 28.1957 28.1957 30.2262 30.2262 36.6680 36.6680 38.3578 38.3578 39.6554 39.6554 43.1301 43.1301 k = 0.4583 0.2646 0.3402 ( 1591 PWs) bands (ev): 6.3551 6.3551 6.6854 6.6854 18.4129 18.4129 20.0113 20.0113 22.3933 22.3933 25.2851 25.2851 28.4097 28.4097 30.5181 30.5181 36.4406 36.4406 38.2984 38.2984 39.5181 39.5181 43.2290 43.2290 k = 0.4556 0.2630 0.3493 ( 1589 PWs) bands (ev): 6.3963 6.3963 6.7286 6.7286 18.1315 18.1315 19.8731 19.8731 22.2958 22.2958 25.4849 25.4849 28.6232 28.6232 30.8190 30.8190 36.2131 36.2131 38.2395 38.2395 39.3853 39.3853 43.3293 43.3293 k = 0.4528 0.2614 0.3584 ( 1589 PWs) bands (ev): 6.4401 6.4401 6.7744 6.7744 17.8510 17.8510 19.7377 19.7377 22.1962 22.1962 25.6861 25.6861 28.8363 28.8363 31.1272 31.1272 35.9866 35.9866 38.1813 38.1813 39.2571 39.2571 43.4302 43.4302 k = 0.4500 0.2598 0.3674 ( 1587 PWs) bands (ev): 6.4862 6.4862 6.8228 6.8228 17.5718 17.5718 19.6054 19.6054 22.0951 22.0951 25.8885 25.8885 29.0490 29.0490 31.4406 31.4406 35.7624 35.7624 38.1247 38.1247 39.1337 39.1337 43.5315 43.5315 k = 0.4472 0.2582 0.3765 ( 1588 PWs) bands (ev): 6.5347 6.5347 6.8738 6.8738 17.2943 17.2943 19.4758 19.4758 21.9929 21.9929 26.0918 26.0918 29.2613 29.2613 31.7569 31.7569 35.5419 35.5419 38.0695 38.0695 39.0152 39.0152 43.6323 43.6323 k = 0.4444 0.2566 0.3856 ( 1590 PWs) bands (ev): 6.5854 6.5854 6.9274 6.9274 17.0189 17.0189 19.3492 19.3492 21.8903 21.8903 26.2960 26.2960 29.4731 29.4731 32.0733 32.0733 35.3272 35.3272 38.0163 38.0163 38.9018 38.9018 43.7322 43.7322 k = 0.4417 0.2550 0.3946 ( 1590 PWs) bands (ev): 6.6383 6.6383 6.9834 6.9834 16.7460 16.7460 19.2254 19.2254 21.7874 21.7874 26.5009 26.5009 29.6844 29.6844 32.3861 32.3861 35.1215 35.1215 37.9656 37.9656 38.7941 38.7941 43.8307 43.8307 k = 0.4389 0.2534 0.4037 ( 1590 PWs) bands (ev): 6.6932 6.6932 7.0420 7.0420 16.4758 16.4758 19.1044 19.1044 21.6846 21.6846 26.7061 26.7061 29.8949 29.8949 32.6890 32.6890 34.9303 34.9303 37.9175 37.9175 38.6922 38.6922 43.9273 43.9273 k = 0.4361 0.2518 0.4128 ( 1590 PWs) bands (ev): 6.7501 6.7501 7.1030 7.1030 16.2088 16.2088 18.9863 18.9863 21.5822 21.5822 26.9117 26.9117 30.1043 30.1043 32.9708 32.9708 34.7644 34.7644 37.8725 37.8725 38.5971 38.5971 44.0205 44.0205 k = 0.4333 0.2502 0.4219 ( 1588 PWs) bands (ev): 6.8088 6.8088 7.1664 7.1664 15.9453 15.9453 18.8711 18.8711 21.4803 21.4803 27.1173 27.1173 30.3120 30.3120 33.2098 33.2098 34.6451 34.6451 37.8308 37.8308 38.5093 38.5093 44.1090 44.1090 k = 0.4306 0.2486 0.4309 ( 1588 PWs) bands (ev): 6.8692 6.8692 7.2323 7.2323 15.6855 15.6855 18.7587 18.7587 21.3791 21.3791 27.3227 27.3227 30.5171 30.5171 33.3684 33.3684 34.6088 34.6088 37.7928 37.7928 38.4298 38.4298 44.1870 44.1870 k = 0.4278 0.2470 0.4400 ( 1588 PWs) bands (ev): 6.9309 6.9309 7.3005 7.3005 15.4297 15.4297 18.6492 18.6492 21.2788 21.2788 27.5277 27.5277 30.7182 30.7182 33.4128 33.4128 34.6895 34.6895 37.7589 37.7589 38.3600 38.3600 44.2322 44.2322 k = 0.4250 0.2454 0.4491 ( 1589 PWs) bands (ev): 6.9938 6.9938 7.3711 7.3711 15.1785 15.1785 18.5426 18.5426 21.1795 21.1795 27.7322 27.7322 30.9135 30.9135 33.3576 33.3576 34.8719 34.8719 37.7293 37.7293 38.3018 38.3018 44.2279 44.2279 k = 0.4222 0.2438 0.4581 ( 1591 PWs) bands (ev): 7.0576 7.0576 7.4441 7.4441 14.9320 14.9320 18.4388 18.4388 21.0813 21.0813 27.9357 27.9357 31.0994 31.0994 33.2489 33.2489 35.1102 35.1102 37.7045 37.7045 38.2574 38.2574 44.2000 44.2000 k = 0.4194 0.2422 0.4672 ( 1595 PWs) bands (ev): 7.1219 7.1219 7.5194 7.5194 14.6908 14.6908 18.3380 18.3380 20.9843 20.9843 28.1382 28.1382 31.2705 31.2705 33.1229 33.1229 35.3693 35.3693 37.6845 37.6845 38.2303 38.2303 44.1605 44.1605 k = 0.4167 0.2406 0.4763 ( 1595 PWs) bands (ev): 7.1863 7.1863 7.5972 7.5972 14.4553 14.4553 18.2401 18.2401 20.8885 20.8885 28.3392 28.3392 31.4183 31.4183 33.0044 33.0044 35.6289 35.6289 37.6703 37.6703 38.2252 38.2252 44.1123 44.1123 k = 0.4139 0.2390 0.4854 ( 1595 PWs) bands (ev): 7.2503 7.2503 7.6773 7.6773 14.2260 14.2260 18.1451 18.1451 20.7940 20.7940 28.5386 28.5386 31.5287 31.5287 32.9144 32.9144 35.8752 35.8752 37.6619 37.6619 38.2477 38.2477 44.0570 44.0570 k = 0.4111 0.2374 0.4944 ( 1599 PWs) bands (ev): 7.3134 7.3134 7.7600 7.7600 14.0034 14.0034 18.0530 18.0530 20.7008 20.7008 28.7360 28.7360 31.5843 31.5843 32.8738 32.8738 36.0973 36.0973 37.6592 37.6592 38.3041 38.3041 43.9958 43.9958 k = 0.4083 0.2358 0.5035 ( 1597 PWs) bands (ev): 7.3748 7.3748 7.8451 7.8451 13.7883 13.7883 17.9639 17.9639 20.6090 20.6090 28.9311 28.9311 31.5741 31.5741 32.8954 32.8954 36.2880 36.2880 37.6629 37.6629 38.4001 38.4001 43.9303 43.9303 k = 0.4056 0.2341 0.5126 ( 1597 PWs) bands (ev): 7.4339 7.4339 7.9329 7.9329 13.5813 13.5813 17.8778 17.8778 20.5186 20.5186 29.1236 29.1236 31.5035 31.5035 32.9743 32.9743 36.4432 36.4432 37.6725 37.6725 38.5381 38.5381 43.8609 43.8609 k = 0.4028 0.2325 0.5217 ( 1599 PWs) bands (ev): 7.4898 7.4898 8.0233 8.0233 13.3832 13.3832 17.7945 17.7945 20.4296 20.4296 29.3132 29.3132 31.3897 31.3897 33.0932 33.0932 36.5642 36.5642 37.6881 37.6881 38.7155 38.7155 43.7899 43.7899 k = 0.4000 0.2309 0.5307 ( 1605 PWs) bands (ev): 7.5416 7.5416 8.1164 8.1164 13.1950 13.1950 17.7143 17.7143 20.3421 20.3421 29.4995 29.4995 31.2491 31.2491 33.2350 33.2350 36.6568 36.6568 37.7105 37.7105 38.9255 38.9255 43.7181 43.7181 k = 0.3972 0.2293 0.5398 ( 1597 PWs) bands (ev): 7.5881 7.5881 8.2124 8.2124 13.0176 13.0176 17.6370 17.6370 20.2560 20.2560 29.6822 29.6822 31.0934 31.0934 33.3880 33.3880 36.7296 36.7296 37.7403 37.7403 39.1588 39.1588 43.6482 43.6482 k = 0.3944 0.2277 0.5489 ( 1599 PWs) bands (ev): 7.6284 7.6284 8.3112 8.3112 12.8521 12.8521 17.5627 17.5627 20.1714 20.1714 29.8610 29.8610 30.9290 30.9290 33.5441 33.5441 36.7899 36.7899 37.7773 37.7773 39.4060 39.4060 43.5813 43.5813 k = 0.3917 0.2261 0.5579 ( 1599 PWs) bands (ev): 7.6611 7.6611 8.4130 8.4130 12.6997 12.6997 17.4913 17.4913 20.0882 20.0882 30.0354 30.0354 30.7604 30.7604 33.6979 33.6979 36.8453 36.8453 37.8222 37.8222 39.6582 39.6582 43.5204 43.5204 k = 0.3889 0.2245 0.5670 ( 1602 PWs) bands (ev): 7.6851 7.6851 8.5176 8.5176 12.5615 12.5615 17.4230 17.4230 20.0065 20.0065 30.2052 30.2052 30.5900 30.5900 33.8455 33.8455 36.9012 36.9012 37.8754 37.8754 39.9074 39.9074 43.4677 43.4677 k = 0.3861 0.2229 0.5761 ( 1602 PWs) bands (ev): 7.6991 7.6991 8.6253 8.6253 12.4388 12.4388 17.3576 17.3576 19.9262 19.9262 30.3678 30.3678 30.4216 30.4216 33.9841 33.9841 36.9625 36.9625 37.9368 37.9368 40.1462 40.1462 43.4281 43.4281 k = 0.3833 0.2213 0.5852 ( 1602 PWs) bands (ev): 7.7020 7.7020 8.7358 8.7358 12.3328 12.3328 17.2952 17.2952 19.8473 19.8473 30.2483 30.2483 30.5311 30.5311 34.1112 34.1112 37.0323 37.0323 38.0070 38.0070 40.3673 40.3673 43.4054 43.4054 k = 0.3806 0.2197 0.5942 ( 1604 PWs) bands (ev): 7.6929 7.6929 8.8494 8.8494 12.2444 12.2444 17.2358 17.2358 19.7698 19.7698 30.0803 30.0803 30.6854 30.6854 34.2251 34.2251 37.1129 37.1129 38.0859 38.0859 40.5638 40.5638 43.4036 43.4036 k = 0.3778 0.2181 0.6033 ( 1608 PWs) bands (ev): 7.6709 7.6709 8.9658 8.9658 12.1744 12.1744 17.1794 17.1794 19.6937 19.6937 29.9143 29.9143 30.8343 30.8343 34.3245 34.3245 37.2054 37.2054 38.1735 38.1735 40.7296 40.7296 43.4276 43.4276 k = 0.3750 0.2165 0.6124 ( 1608 PWs) bands (ev): 7.6356 7.6356 9.0851 9.0851 12.1234 12.1234 17.1260 17.1260 19.6190 19.6190 29.7509 29.7509 30.9775 30.9775 34.4094 34.4094 37.3103 37.3103 38.2703 38.2703 40.8600 40.8600 43.4795 43.4795 k = 0.6250-0.0722 0.4082 ( 1608 PWs) bands (ev): 7.6356 7.6356 9.0851 9.0851 12.1234 12.1234 17.1260 17.1260 19.6190 19.6190 29.7509 29.7509 30.9775 30.9775 34.4094 34.4094 37.3103 37.3103 38.2703 38.2703 40.8600 40.8600 43.4795 43.4795 k = 0.6202-0.0805 0.4082 ( 1608 PWs) bands (ev): 7.5633 7.5633 9.2957 9.2957 12.0529 12.0529 17.0378 17.0378 19.4903 19.4903 29.4731 29.4731 31.2212 31.2212 34.5441 34.5441 37.5027 37.5027 38.4465 38.4465 41.0536 41.0536 43.5936 43.5936 k = 0.6154-0.0888 0.4082 ( 1608 PWs) bands (ev): 7.4927 7.4927 9.5092 9.5092 11.9852 11.9852 16.9529 16.9529 19.3604 19.3604 29.2010 29.2010 31.4663 31.4663 34.6794 34.6794 37.6955 37.6955 38.6239 38.6239 41.2463 41.2463 43.7067 43.7067 k = 0.6106-0.0972 0.4082 ( 1600 PWs) bands (ev): 7.4241 7.4241 9.7249 9.7249 11.9202 11.9202 16.8713 16.8713 19.2291 19.2291 28.9353 28.9353 31.7127 31.7127 34.8147 34.8147 37.8888 37.8888 38.8031 38.8031 41.4381 41.4381 43.8200 43.8200 k = 0.6058-0.1055 0.4082 ( 1604 PWs) bands (ev): 7.3580 7.3580 9.9421 9.9421 11.8581 11.8581 16.7930 16.7930 19.0962 19.0962 28.6766 28.6766 31.9601 31.9601 34.9492 34.9492 38.0816 38.0816 38.9821 38.9821 41.6286 41.6286 43.9303 43.9303 k = 0.6010-0.1138 0.4082 ( 1604 PWs) bands (ev): 7.2945 7.2945 10.1606 10.1606 11.7989 11.7989 16.7178 16.7178 18.9616 18.9616 28.4256 28.4256 32.2084 32.2084 35.0828 35.0828 38.2744 38.2744 39.1627 39.1627 41.8175 41.8175 43.8738 43.8738 k = 0.5962-0.1221 0.4082 ( 1604 PWs) bands (ev): 7.2337 7.2337 10.3800 10.3800 11.7428 11.7428 16.6459 16.6459 18.8249 18.8249 28.1828 28.1828 32.4572 32.4572 35.2151 35.2151 38.4666 38.4666 39.3440 39.3440 42.0044 42.0044 43.7034 43.7034 k = 0.5913-0.1305 0.4082 ( 1604 PWs) bands (ev): 7.1757 7.1757 10.5997 10.5997 11.6902 11.6902 16.5772 16.5772 18.6861 18.6861 27.9488 27.9488 32.7064 32.7064 35.3457 35.3457 38.6577 38.6577 39.5259 39.5259 42.1888 42.1888 43.5245 43.5245 k = 0.5865-0.1388 0.4082 ( 1604 PWs) bands (ev): 7.1205 7.1205 10.8188 10.8188 11.6416 11.6416 16.5117 16.5117 18.5451 18.5451 27.7239 27.7239 32.9556 32.9556 35.4741 35.4741 38.8474 38.8474 39.7080 39.7080 42.3699 42.3699 43.3382 43.3382 k = 0.5817-0.1471 0.4082 ( 1604 PWs) bands (ev): 7.0683 7.0683 11.0352 11.0352 11.5989 11.5989 16.4493 16.4493 18.4017 18.4017 27.5088 27.5088 33.2043 33.2043 35.6003 35.6003 39.0351 39.0351 39.8902 39.8902 42.5453 42.5453 43.1470 43.1470 k = 0.5769-0.1554 0.4082 ( 1606 PWs) bands (ev): 7.0189 7.0189 11.2410 11.2410 11.5697 11.5697 16.3899 16.3899 18.2560 18.2560 27.3037 27.3037 33.4521 33.4521 35.7235 35.7235 39.2203 39.2203 40.0720 40.0720 42.7005 42.7005 42.9660 42.9660 k = 0.5721-0.1638 0.4082 ( 1614 PWs) bands (ev): 6.9725 6.9725 11.3906 11.3906 11.5996 11.5996 16.3335 16.3335 18.1079 18.1079 27.1092 27.1092 33.6983 33.6983 35.8441 35.8441 39.4020 39.4020 40.2518 40.2518 42.6805 42.6805 42.9505 42.9505 k = 0.5673-0.1721 0.4082 ( 1608 PWs) bands (ev): 6.9291 6.9291 11.4128 11.4128 11.7593 11.7593 16.2799 16.2799 17.9576 17.9576 26.9258 26.9258 33.9424 33.9424 35.9622 35.9622 39.5803 39.5803 40.4317 40.4317 42.4876 42.4876 43.1001 43.1001 k = 0.5625-0.1804 0.4082 ( 1608 PWs) bands (ev): 6.8886 6.8886 11.3900 11.3900 11.9659 11.9659 16.2290 16.2290 17.8053 17.8053 26.7535 26.7535 34.1832 34.1832 36.0769 36.0769 39.7539 39.7539 40.6097 40.6097 42.2732 42.2732 43.2631 43.2631 k = 0.5577-0.1887 0.4082 ( 1608 PWs) bands (ev): 6.8511 6.8511 11.3607 11.3607 12.1806 12.1806 16.1806 16.1806 17.6514 17.6514 26.5927 26.5927 34.4197 34.4197 36.1886 36.1886 39.9220 39.9220 40.7854 40.7854 42.0528 42.0528 43.4257 43.4257 k = 0.5529-0.1971 0.4082 ( 1610 PWs) bands (ev): 6.8165 6.8165 11.3313 11.3313 12.3965 12.3965 16.1342 16.1342 17.4965 17.4965 26.4438 26.4438 34.6504 34.6504 36.2973 36.2973 40.0836 40.0836 40.9577 40.9577 41.8297 41.8297 43.5856 43.5856 k = 0.5481-0.2054 0.4082 ( 1610 PWs) bands (ev): 6.7850 6.7850 11.3035 11.3035 12.6112 12.6112 16.0895 16.0895 17.3415 17.3415 26.3071 26.3071 34.8735 34.8735 36.4038 36.4038 40.2376 40.2376 41.1257 41.1257 41.6062 41.6062 43.7421 43.7421 k = 0.5433-0.2137 0.4082 ( 1608 PWs) bands (ev): 6.7564 6.7564 11.2778 11.2778 12.8233 12.8233 16.0458 16.0458 17.1877 17.1877 26.1828 26.1828 35.0865 35.0865 36.5085 36.5085 40.3828 40.3828 41.2876 41.2876 41.3851 41.3851 43.8947 43.8947 k = 0.5385-0.2221 0.4082 ( 1602 PWs) bands (ev): 6.7309 6.7309 11.2546 11.2546 13.0314 13.0314 16.0022 16.0022 17.0369 17.0369 26.0711 26.0711 35.2870 35.2870 36.6124 36.6124 40.5183 40.5183 41.1654 41.1654 41.4450 41.4450 44.0433 44.0433 k = 0.5337-0.2304 0.4082 ( 1602 PWs) bands (ev): 6.7083 6.7083 11.2340 11.2340 13.2340 13.2340 15.9574 15.9574 16.8917 16.8917 25.9722 25.9722 35.4716 35.4716 36.7154 36.7154 40.6420 40.6420 40.9537 40.9537 41.5916 41.5916 44.1871 44.1871 k = 0.5288-0.2387 0.4082 ( 1602 PWs) bands (ev): 6.6888 6.6888 11.2160 11.2160 13.4290 13.4290 15.9098 15.9098 16.7555 16.7555 25.8862 25.8862 35.6368 35.6368 36.8181 36.8181 40.7488 40.7488 40.7559 40.7559 41.7276 41.7276 44.3253 44.3253 k = 0.5240-0.2470 0.4082 ( 1596 PWs) bands (ev): 6.6723 6.6723 11.2007 11.2007 13.6135 13.6135 15.8578 15.8578 16.6328 16.6328 25.8132 25.8132 35.7796 35.7796 36.9196 36.9196 40.5637 40.5637 40.8502 40.8502 41.8503 41.8503 44.4564 44.4564 k = 0.5192-0.2554 0.4082 ( 1592 PWs) bands (ev): 6.6587 6.6587 11.1882 11.1882 13.7832 13.7832 15.8006 15.8006 16.5284 16.5284 25.7534 25.7534 35.8972 35.8972 37.0172 37.0172 40.3945 40.3945 40.9317 40.9317 41.9567 41.9567 44.5778 44.5778 k = 0.5144-0.2637 0.4082 ( 1592 PWs) bands (ev): 6.6482 6.6482 11.1785 11.1785 13.9320 13.9320 15.7403 15.7403 16.4462 16.4462 25.7068 25.7068 35.9884 35.9884 37.1053 37.1053 40.2508 40.2508 40.9964 40.9964 42.0438 42.0438 44.6849 44.6849 k = 0.5096-0.2720 0.4082 ( 1592 PWs) bands (ev): 6.6407 6.6407 11.1715 11.1715 14.0513 14.0513 15.6836 15.6836 16.3882 16.3882 25.6735 25.6735 36.0529 36.0529 37.1770 37.1770 40.1400 40.1400 41.0434 41.0434 42.1086 42.1086 44.7711 44.7711 k = 0.5048-0.2803 0.4082 ( 1588 PWs) bands (ev): 6.6362 6.6362 11.1673 11.1673 14.1300 14.1300 15.6417 15.6417 16.3541 16.3541 25.6535 25.6535 36.0913 36.0913 37.2243 37.2243 40.0696 40.0696 41.0720 41.0720 42.1489 42.1489 44.8282 44.8282 k = 0.5000-0.2887 0.4082 ( 1588 PWs) bands (ev): 6.6347 6.6347 11.1659 11.1659 14.1578 14.1578 15.6260 15.6260 16.3429 16.3429 25.6468 25.6468 36.1040 36.1040 37.2409 37.2409 40.0454 40.0454 41.0815 41.0815 42.1625 42.1625 44.8482 44.8482 Writing output data file CsBr.save init_run : 0.27s CPU 0.56s WALL ( 1 calls) electrons : 86.54s CPU 90.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 86.54s CPU 90.36s 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 : 0.09s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 483 calls) cegterg : 82.39s CPU 84.08s WALL ( 920 calls) Called by sum_band: Called by *egterg: h_psi : 37.92s CPU 38.86s WALL ( 16204 calls) s_psi : 0.56s CPU 0.60s WALL ( 16204 calls) g_psi : 0.09s CPU 0.10s WALL ( 14801 calls) cdiaghg : 39.93s CPU 40.41s WALL ( 15284 calls) cegterg:over : 2.44s CPU 2.44s WALL ( 14801 calls) cegterg:upda : 1.72s CPU 1.89s WALL ( 14801 calls) cegterg:last : 1.00s CPU 1.02s WALL ( 2823 calls) cdiaghg:chol : 2.09s CPU 2.04s WALL ( 15284 calls) cdiaghg:inve : 0.58s CPU 0.64s WALL ( 15284 calls) cdiaghg:para : 2.72s CPU 2.67s WALL ( 30568 calls) Called by h_psi: h_psi:vloc : 32.49s CPU 33.15s WALL ( 16204 calls) h_psi:vnl : 5.37s CPU 5.65s WALL ( 16204 calls) add_vuspsi : 3.66s CPU 3.75s WALL ( 16204 calls) General routines calbec : 1.64s CPU 1.86s WALL ( 16204 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 30.82s CPU 31.47s WALL ( 777216 calls) davcio : 0.10s CPU 0.10s WALL ( 966 calls) Parallel routines fft_scatter : 15.28s CPU 15.59s WALL ( 777231 calls) PWSCF : 1m34.72s CPU 2m25.99s WALL This run was terminated on: 16: 4:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=