Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:14:56 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: ./FeO.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 12 3 368 156 27 Max 21 13 4 372 165 32 Sum 745 433 139 13323 5817 1037 bravais-lattice index = 14 lattice parameter (alat) = 5.7498 a.u. unit-cell volume = 134.4159 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.749832 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Fe 8.00 55.84500 Fe( 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 0.1959460), 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 0.4459460), 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 0.7211539), wk = 0.0020704 k( 145) = ( 0.3557692 0.3557692 0.7115385), wk = 0.0020704 k( 146) = ( 0.3509615 0.3509615 0.7019231), wk = 0.0020704 k( 147) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0020704 k( 148) = ( 0.3413462 0.3413462 0.6826923), wk = 0.0020704 k( 149) = ( 0.3365385 0.3365385 0.6730769), wk = 0.0020704 k( 150) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0020704 k( 151) = ( 0.3269231 0.3269231 0.6538462), wk = 0.0020704 k( 152) = ( 0.3221154 0.3221154 0.6442308), wk = 0.0020704 k( 153) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0020704 k( 154) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0020704 k( 155) = ( 0.3076923 0.3076923 0.6153846), wk = 0.0020704 k( 156) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0020704 k( 157) = ( 0.2980769 0.2980769 0.5961538), wk = 0.0020704 k( 158) = ( 0.2932692 0.2932692 0.5865385), wk = 0.0020704 k( 159) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0020704 k( 160) = ( 0.2836538 0.2836539 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 0.2788462), wk = 0.0020704 k( 191) = ( 0.1346154 0.1346154 0.2692308), wk = 0.0020704 k( 192) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0020704 k( 193) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0020704 k( 194) = ( 0.1201923 0.1201923 0.2403846), wk = 0.0020704 k( 195) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0020704 k( 196) = ( 0.1105769 0.1105769 0.2211539), wk = 0.0020704 k( 197) = ( 0.1057692 0.1057692 0.2115385), wk = 0.0020704 k( 198) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0020704 k( 199) = ( 0.0961538 0.0961538 0.1923077), wk = 0.0020704 k( 200) = ( 0.0913462 0.0913462 0.1826923), wk = 0.0020704 k( 201) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0020704 k( 202) = ( 0.0817308 0.0817308 0.1634615), wk = 0.0020704 k( 203) = ( 0.0769231 0.0769231 0.1538461), wk = 0.0020704 k( 204) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0020704 k( 205) = ( 0.0673077 0.0673077 0.1346154), wk = 0.0020704 k( 206) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0020704 k( 207) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0020704 k( 208) = ( 0.0528846 0.0528846 0.1057692), wk = 0.0020704 k( 209) = ( 0.0480769 0.0480769 0.0961538), wk = 0.0020704 k( 210) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0020704 k( 211) = ( 0.0384615 0.0384615 0.0769231), wk = 0.0020704 k( 212) = ( 0.0336538 0.0336538 0.0673077), wk = 0.0020704 k( 213) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0020704 k( 214) = ( 0.0240385 0.0240385 0.0480769), wk = 0.0020704 k( 215) = ( 0.0192308 0.0192308 0.0384615), wk = 0.0020704 k( 216) = ( 0.0144231 0.0144231 0.0288462), wk = 0.0020704 k( 217) = ( 0.0096154 0.0096154 0.0192308), wk = 0.0020704 k( 218) = ( 0.0048077 0.0048077 0.0096154), wk = 0.0020704 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 221) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0020704 k( 222) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0020704 k( 223) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0020704 k( 224) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0020704 k( 225) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0020704 k( 226) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0020704 k( 227) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0020704 k( 228) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0020704 k( 229) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0020704 k( 230) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0020704 k( 231) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0020704 k( 232) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0020704 k( 233) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0020704 k( 234) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0020704 k( 235) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0020704 k( 236) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0020704 k( 237) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0020704 k( 238) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0020704 k( 239) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0020704 k( 240) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0020704 k( 241) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0020704 k( 242) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0020704 k( 243) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0020704 k( 244) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0020704 k( 245) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0020704 k( 246) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0020704 k( 247) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0020704 k( 248) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0020704 k( 249) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0020704 k( 250) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0020704 k( 251) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0020704 k( 252) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020704 k( 253) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0020704 k( 254) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0020704 k( 255) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0020704 k( 256) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0020704 k( 257) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0020704 k( 258) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0020704 k( 259) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0020704 k( 260) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0020704 k( 261) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0020704 k( 262) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0020704 k( 263) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0020704 k( 264) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0020704 k( 265) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0020704 k( 266) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0020704 k( 267) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0020704 k( 268) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0020704 k( 269) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0020704 k( 270) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0020704 k( 271) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0020704 k( 272) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0020704 k( 273) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0020704 k( 274) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0020704 k( 275) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0020704 k( 276) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0020704 k( 277) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0020704 k( 278) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0020704 k( 279) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0020704 k( 280) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0020704 k( 281) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0020704 k( 282) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0020704 k( 283) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0020704 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020704 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020704 k( 286) = ( 0.5027778 0.4944444 0.5027778), wk = 0.0020704 k( 287) = ( 0.5055556 0.4888889 0.5055556), wk = 0.0020704 k( 288) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0020704 k( 289) = ( 0.5111111 0.4777778 0.5111111), wk = 0.0020704 k( 290) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0020704 k( 291) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0020704 k( 292) = ( 0.5194444 0.4611111 0.5194444), wk = 0.0020704 k( 293) = ( 0.5222222 0.4555556 0.5222222), wk = 0.0020704 k( 294) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0020704 k( 295) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0020704 k( 296) = ( 0.5305556 0.4388889 0.5305556), wk = 0.0020704 k( 297) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0020704 k( 298) = ( 0.5361111 0.4277778 0.5361111), wk = 0.0020704 k( 299) = ( 0.5388889 0.4222222 0.5388889), wk = 0.0020704 k( 300) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0020704 k( 301) = ( 0.5444444 0.4111111 0.5444444), wk = 0.0020704 k( 302) = ( 0.5472222 0.4055556 0.5472222), wk = 0.0020704 k( 303) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0020704 k( 304) = ( 0.5527778 0.3944444 0.5527778), wk = 0.0020704 k( 305) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0020704 k( 306) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0020704 k( 307) = ( 0.5611111 0.3777778 0.5611111), wk = 0.0020704 k( 308) = ( 0.5638889 0.3722222 0.5638889), wk = 0.0020704 k( 309) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0020704 k( 310) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0020704 k( 311) = ( 0.5722222 0.3555556 0.5722222), wk = 0.0020704 k( 312) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0020704 k( 313) = ( 0.5777778 0.3444444 0.5777778), wk = 0.0020704 k( 314) = ( 0.5805556 0.3388889 0.5805556), wk = 0.0020704 k( 315) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0020704 k( 316) = ( 0.5861111 0.3277778 0.5861111), wk = 0.0020704 k( 317) = ( 0.5888889 0.3222222 0.5888889), wk = 0.0020704 k( 318) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0020704 k( 319) = ( 0.5944444 0.3111111 0.5944444), wk = 0.0020704 k( 320) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0020704 k( 321) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0020704 k( 322) = ( 0.6027778 0.2944444 0.6027778), wk = 0.0020704 k( 323) = ( 0.6055556 0.2888889 0.6055556), wk = 0.0020704 k( 324) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0020704 k( 325) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0020704 k( 326) = ( 0.6138889 0.2722222 0.6138889), wk = 0.0020704 k( 327) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0020704 k( 328) = ( 0.6194444 0.2611111 0.6194444), wk = 0.0020704 k( 329) = ( 0.6222222 0.2555556 0.6222222), wk = 0.0020704 k( 330) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020704 k( 331) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020704 k( 332) = ( 0.6201923 0.2500000 0.6298077), wk = 0.0020704 k( 333) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0020704 k( 334) = ( 0.6105769 0.2500000 0.6394231), wk = 0.0020704 k( 335) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0020704 k( 336) = ( 0.6009615 0.2500000 0.6490385), wk = 0.0020704 k( 337) = ( 0.5961538 0.2500000 0.6538462), wk = 0.0020704 k( 338) = ( 0.5913462 0.2500000 0.6586538), wk = 0.0020704 k( 339) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0020704 k( 340) = ( 0.5817308 0.2500000 0.6682692), wk = 0.0020704 k( 341) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0020704 k( 342) = ( 0.5721154 0.2500000 0.6778846), wk = 0.0020704 k( 343) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0020704 k( 344) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0020704 k( 345) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0020704 k( 346) = ( 0.5528846 0.2500000 0.6971154), wk = 0.0020704 k( 347) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0020704 k( 348) = ( 0.5432692 0.2500000 0.7067308), wk = 0.0020704 k( 349) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0020704 k( 350) = ( 0.5336538 0.2500000 0.7163462), 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 0.7211539), 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 0.6586539), 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 0.5961539), 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 0.5961539), wk = 0.0020704 k( 464) = ( 0.5913462 0.1826923 0.5913462), wk = 0.0020704 k( 465) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0020704 k( 466) = ( 0.5817308 0.1634615 0.5817308), wk = 0.0020704 k( 467) = ( 0.5769231 0.1538461 0.5769231), wk = 0.0020704 k( 468) = ( 0.5721154 0.1442308 0.5721154), wk = 0.0020704 k( 469) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0020704 k( 470) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0020704 k( 471) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0020704 k( 472) = ( 0.5528846 0.1057692 0.5528846), wk = 0.0020704 k( 473) = ( 0.5480769 0.0961538 0.5480769), wk = 0.0020704 k( 474) = ( 0.5432692 0.0865385 0.5432692), wk = 0.0020704 k( 475) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0020704 k( 476) = ( 0.5336538 0.0673077 0.5336538), wk = 0.0020704 k( 477) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0020704 k( 478) = ( 0.5240385 0.0480769 0.5240385), wk = 0.0020704 k( 479) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0020704 k( 480) = ( 0.5144231 0.0288461 0.5144231), wk = 0.0020704 k( 481) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0020704 k( 482) = ( 0.5048077 0.0096154 0.5048077), wk = 0.0020704 k( 483) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020704 Dense grid: 13323 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 5817 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 38, 22) NL pseudopotentials 0.01 Mb ( 19, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 371) G-vector shells 0.00 Mb ( 138) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 38, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.03 Mb ( 48, 2, 22) The potential is recalculated from file : ./FeO.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.8 secs Computing kpt #: 12 total cpu time spent up to now is 2.9 secs Computing kpt #: 13 total cpu time spent up to now is 3.0 secs Computing kpt #: 14 total cpu time spent up to now is 3.1 secs Computing kpt #: 15 total cpu time spent up to now is 3.2 secs Computing kpt #: 16 total cpu time spent up to now is 3.2 secs Computing kpt #: 17 total cpu time spent up to now is 3.3 secs Computing kpt #: 18 total cpu time spent up to now is 3.4 secs Computing kpt #: 19 total cpu time spent up to now is 3.5 secs Computing kpt #: 20 total cpu time spent up to now is 3.6 secs Computing kpt #: 21 total cpu time spent up to now is 3.7 secs Computing kpt #: 22 total cpu time spent up to now is 3.7 secs Computing kpt #: 23 total cpu time spent up to now is 3.8 secs Computing kpt #: 24 total cpu time spent up to now is 3.9 secs Computing kpt #: 25 total cpu time spent up to now is 4.0 secs Computing kpt #: 26 total cpu time spent up to now is 4.0 secs Computing kpt #: 27 total cpu time spent up to now is 4.1 secs Computing kpt #: 28 total cpu time spent up to now is 4.2 secs Computing kpt #: 29 total cpu time spent up to now is 4.2 secs Computing kpt #: 30 total cpu time spent up to now is 4.3 secs Computing kpt #: 31 total cpu time spent up to now is 4.4 secs Computing kpt #: 32 total cpu time spent up to now is 4.5 secs Computing kpt #: 33 total cpu time spent up to now is 4.5 secs Computing kpt #: 34 total cpu time spent up to now is 4.6 secs Computing kpt #: 35 total cpu time spent up to now is 4.7 secs Computing kpt #: 36 total cpu time spent up to now is 4.7 secs Computing kpt #: 37 total cpu time spent up to now is 4.9 secs Computing kpt #: 38 total cpu time spent up to now is 5.0 secs Computing kpt #: 39 total cpu time spent up to now is 5.1 secs Computing kpt #: 40 total cpu time spent up to now is 5.2 secs Computing kpt #: 41 total cpu time spent up to now is 5.3 secs Computing kpt #: 42 total cpu time spent up to now is 5.4 secs Computing kpt #: 43 total cpu time spent up to now is 5.5 secs Computing kpt #: 44 total cpu time spent up to now is 5.6 secs Computing kpt #: 45 total cpu time spent up to now is 5.7 secs Computing kpt #: 46 total cpu time spent up to now is 5.8 secs Computing kpt #: 47 total cpu time spent up to now is 5.9 secs Computing kpt #: 48 total cpu time spent up to now is 5.9 secs Computing kpt #: 49 total cpu time spent up to now is 6.0 secs Computing kpt #: 50 total cpu time spent up to now is 6.1 secs Computing kpt #: 51 total cpu time spent up to now is 6.2 secs Computing kpt #: 52 total cpu time spent up to now is 6.2 secs Computing kpt #: 53 total cpu time spent up to now is 6.3 secs Computing kpt #: 54 total cpu time spent up to now is 6.4 secs Computing kpt #: 55 total cpu time spent up to now is 6.4 secs Computing kpt #: 56 total cpu time spent up to now is 6.5 secs Computing kpt #: 57 total cpu time spent up to now is 6.6 secs Computing kpt #: 58 total cpu time spent up to now is 6.6 secs Computing kpt #: 59 total cpu time spent up to now is 6.7 secs Computing kpt #: 60 total cpu time spent up to now is 6.8 secs Computing kpt #: 61 total cpu time spent up to now is 6.8 secs Computing kpt #: 62 total cpu time spent up to now is 6.9 secs Computing kpt #: 63 total cpu time spent up to now is 7.0 secs Computing kpt #: 64 total cpu time spent up to now is 7.0 secs Computing kpt #: 65 total cpu time spent up to now is 7.1 secs Computing kpt #: 66 total cpu time spent up to now is 7.2 secs Computing kpt #: 67 total cpu time spent up to now is 7.2 secs Computing kpt #: 68 total cpu time spent up to now is 7.3 secs Computing kpt #: 69 total cpu time spent up to now is 7.3 secs Computing kpt #: 70 total cpu time spent up to now is 7.4 secs Computing kpt #: 71 total cpu time spent up to now is 7.5 secs Computing kpt #: 72 total cpu time spent up to now is 7.5 secs Computing kpt #: 73 total cpu time spent up to now is 7.6 secs Computing kpt #: 74 total cpu time spent up to now is 7.6 secs Computing kpt #: 75 total cpu time spent up to now is 7.7 secs Computing kpt #: 76 total cpu time spent up to now is 7.7 secs Computing kpt #: 77 total cpu time spent up to now is 7.8 secs Computing kpt #: 78 total cpu time spent up to now is 7.8 secs Computing kpt #: 79 total cpu time spent up to now is 7.9 secs Computing kpt #: 80 total cpu time spent up to now is 7.9 secs Computing kpt #: 81 total cpu time spent up to now is 8.0 secs Computing kpt #: 82 total cpu time spent up to now is 8.1 secs Computing kpt #: 83 total cpu time spent up to now is 8.1 secs Computing kpt #: 84 total cpu time spent up to now is 8.2 secs Computing kpt #: 85 total cpu time spent up to now is 8.2 secs Computing kpt #: 86 total cpu time spent up to now is 8.3 secs Computing kpt #: 87 total cpu time spent up to now is 8.3 secs Computing kpt #: 88 total cpu time spent up to now is 8.4 secs Computing kpt #: 89 total cpu time spent up to now is 8.5 secs Computing kpt #: 90 total cpu time spent up to now is 8.5 secs Computing kpt #: 91 total cpu time spent up to now is 8.6 secs Computing kpt #: 92 total cpu time spent up to now is 8.6 secs Computing kpt #: 93 total cpu time spent up to now is 8.7 secs Computing kpt #: 94 total cpu time spent up to now is 8.8 secs Computing kpt #: 95 total cpu time spent up to now is 8.8 secs Computing kpt #: 96 total cpu time spent up to now is 8.9 secs Computing kpt #: 97 total cpu time spent up to now is 8.9 secs Computing kpt #: 98 total cpu time spent up to now is 9.0 secs Computing kpt #: 99 total cpu time spent up to now is 9.1 secs Computing kpt #: 100 total cpu time spent up to now is 9.1 secs Computing kpt #: 101 total cpu time spent up to now is 9.2 secs Computing kpt #: 102 total cpu time spent up to now is 9.3 secs Computing kpt #: 103 total cpu time spent up to now is 9.3 secs Computing kpt #: 104 total cpu time spent up to now is 9.4 secs Computing kpt #: 105 total cpu time spent up to now is 9.4 secs Computing kpt #: 106 total cpu time spent up to now is 9.5 secs Computing kpt #: 107 total cpu time spent up to now is 9.6 secs Computing kpt #: 108 total cpu 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secs Computing kpt #: 124 total cpu time spent up to now is 11.0 secs Computing kpt #: 125 total cpu time spent up to now is 11.1 secs Computing kpt #: 126 total cpu time spent up to now is 11.2 secs Computing kpt #: 127 total cpu time spent up to now is 11.3 secs Computing kpt #: 128 total cpu time spent up to now is 11.3 secs Computing kpt #: 129 total cpu time spent up to now is 11.4 secs Computing kpt #: 130 total cpu time spent up to now is 11.5 secs Computing kpt #: 131 total cpu time spent up to now is 11.5 secs Computing kpt #: 132 total cpu time spent up to now is 11.6 secs Computing kpt #: 133 total cpu time spent up to now is 11.7 secs Computing kpt #: 134 total cpu time spent up to now is 11.8 secs Computing kpt #: 135 total cpu time spent up to now is 11.8 secs Computing kpt #: 136 total cpu time spent up to now is 11.9 secs Computing kpt #: 137 total cpu time spent up to now is 12.0 secs Computing kpt #: 138 total cpu time spent up to now is 12.1 secs Computing kpt #: 139 total cpu time spent up to now is 12.1 secs Computing kpt #: 140 total cpu time spent up to now is 12.2 secs Computing kpt #: 141 total cpu time spent up to now is 12.3 secs Computing kpt #: 142 total cpu time spent up to now is 12.3 secs Computing kpt #: 143 total cpu time spent up to now is 12.4 secs Computing kpt #: 144 total cpu time spent up to now is 12.5 secs Computing kpt #: 145 total cpu time spent up to now is 12.6 secs Computing kpt #: 146 total cpu time spent up to now is 12.7 secs Computing kpt #: 147 total cpu time spent up to now is 12.8 secs Computing kpt #: 148 total cpu time spent up to now is 12.9 secs Computing kpt #: 149 total cpu time spent up to now is 13.0 secs Computing kpt #: 150 total cpu time spent up to now is 13.1 secs Computing kpt #: 151 total cpu time spent up to now is 13.1 secs Computing kpt #: 152 total cpu time spent up to now is 13.2 secs Computing kpt #: 153 total cpu time spent up to now is 13.3 secs Computing kpt #: 154 total cpu time spent up to now is 13.4 secs Computing kpt #: 155 total cpu time spent up to now is 13.5 secs Computing kpt #: 156 total cpu time spent up to now is 13.6 secs Computing kpt #: 157 total cpu time spent up to now is 13.7 secs Computing kpt #: 158 total cpu time spent up to now is 13.8 secs Computing kpt #: 159 total cpu time spent up to now is 13.9 secs Computing kpt #: 160 total cpu time spent up to now is 14.0 secs Computing kpt #: 161 total cpu time spent up to now is 14.1 secs Computing kpt #: 162 total cpu time spent up to now is 14.2 secs Computing kpt #: 163 total cpu time spent up to now is 14.3 secs Computing kpt #: 164 total cpu time spent up to now is 14.3 secs Computing kpt #: 165 total cpu time spent up to now is 14.4 secs Computing kpt #: 166 total cpu time spent up to now is 14.5 secs Computing kpt #: 167 total cpu time spent up to now is 14.5 secs Computing kpt #: 168 total cpu time spent up to now is 14.6 secs Computing kpt #: 169 total cpu time spent up to now is 14.7 secs Computing kpt #: 170 total cpu time spent up to now is 14.7 secs Computing kpt #: 171 total cpu time spent up to now is 14.8 secs Computing kpt #: 172 total cpu time spent up to now is 14.8 secs Computing kpt #: 173 total cpu time spent up to now is 14.9 secs Computing kpt #: 174 total cpu time spent up to now is 15.0 secs Computing kpt #: 175 total cpu time spent up to now is 15.0 secs Computing kpt #: 176 total cpu time spent up to now is 15.1 secs Computing kpt #: 177 total cpu time spent up to now is 15.2 secs Computing kpt #: 178 total cpu time spent up to now is 15.2 secs Computing kpt #: 179 total cpu time spent up to now is 15.3 secs Computing kpt #: 180 total cpu time spent up to now is 15.4 secs Computing kpt #: 181 total cpu time spent up to now is 15.4 secs Computing kpt #: 182 total cpu time spent up to now is 15.5 secs Computing kpt #: 183 total cpu time spent up to now is 15.6 secs Computing kpt #: 184 total cpu time spent up to now is 15.6 secs Computing kpt #: 185 total cpu time spent up to now is 15.7 secs Computing kpt #: 186 total cpu time spent up to now is 15.8 secs Computing kpt #: 187 total cpu time spent up to now is 15.8 secs Computing kpt #: 188 total cpu time spent up to now is 15.9 secs Computing kpt #: 189 total cpu time spent up to now is 16.0 secs Computing kpt #: 190 total cpu time spent up to now is 16.0 secs Computing kpt #: 191 total cpu time spent up to now is 16.1 secs Computing kpt #: 192 total cpu time spent up to now is 16.2 secs Computing kpt #: 193 total cpu time spent up to now is 16.3 secs Computing kpt #: 194 total cpu time spent up to now is 16.3 secs Computing kpt #: 195 total cpu time spent up to now is 16.4 secs Computing kpt #: 196 total cpu time spent up to now is 16.5 secs Computing kpt #: 197 total cpu time spent up to now is 16.5 secs Computing kpt #: 198 total cpu time spent up to now is 16.6 secs Computing kpt #: 199 total cpu time spent up to now is 16.7 secs Computing kpt #: 200 total cpu time spent up to now is 16.8 secs Computing kpt #: 201 total cpu time spent up to now is 16.8 secs Computing kpt #: 202 total cpu time spent up to now is 16.9 secs Computing kpt #: 203 total cpu time spent up to now is 17.0 secs Computing kpt #: 204 total cpu time spent up to now is 17.1 secs Computing kpt #: 205 total cpu time spent up to now is 17.1 secs Computing kpt #: 206 total cpu time spent up to now is 17.2 secs Computing kpt #: 207 total cpu time spent up to now is 17.3 secs Computing kpt #: 208 total cpu time spent up to now is 17.4 secs Computing kpt #: 209 total cpu time spent up to now is 17.4 secs Computing kpt #: 210 total cpu time spent up to now is 17.5 secs Computing kpt #: 211 total cpu time spent up to now is 17.6 secs Computing kpt #: 212 total cpu time spent up to now is 17.7 secs Computing kpt #: 213 total cpu time spent up to now is 17.8 secs Computing kpt #: 214 total cpu time spent up to now is 17.9 secs Computing kpt #: 215 total cpu time spent up to now is 18.0 secs Computing kpt #: 216 total cpu time spent up to now is 18.1 secs Computing kpt #: 217 total cpu time spent up to now is 18.2 secs Computing kpt #: 218 total cpu time spent up to now is 18.3 secs Computing kpt #: 219 total cpu time spent up to now is 18.4 secs Computing kpt #: 220 total cpu time spent up to now is 18.5 secs Computing kpt #: 221 total cpu time spent up to now is 18.6 secs Computing kpt #: 222 total cpu time spent up to now is 18.7 secs Computing kpt #: 223 total cpu time spent up to now is 18.8 secs Computing kpt #: 224 total cpu time spent up to now is 18.8 secs Computing kpt #: 225 total cpu time spent up to now is 18.9 secs Computing kpt #: 226 total cpu time spent up to now is 19.0 secs Computing kpt #: 227 total cpu time spent up to now is 19.1 secs Computing kpt #: 228 total cpu time spent up to now is 19.2 secs Computing kpt #: 229 total cpu time spent up to now is 19.3 secs Computing kpt #: 230 total cpu time spent up to now is 19.4 secs Computing kpt #: 231 total cpu time spent up to now is 19.4 secs Computing kpt #: 232 total cpu time spent up to now is 19.5 secs Computing kpt #: 233 total cpu time spent up to now is 19.6 secs Computing kpt #: 234 total cpu time spent up to now is 19.7 secs Computing kpt #: 235 total cpu time spent up to now is 19.8 secs Computing kpt #: 236 total cpu time spent up to now is 19.8 secs Computing kpt #: 237 total cpu time spent up to now is 20.0 secs Computing kpt #: 238 total cpu time spent up to now is 20.1 secs Computing kpt #: 239 total cpu time spent up to now is 20.2 secs Computing kpt #: 240 total cpu time spent up to now is 20.2 secs Computing kpt #: 241 total cpu time spent up to now is 20.3 secs Computing kpt #: 242 total cpu time spent up to now is 20.4 secs Computing kpt #: 243 total cpu time spent up to now is 20.5 secs Computing kpt #: 244 total cpu time spent up to now is 20.5 secs Computing kpt #: 245 total cpu time spent up to now is 20.6 secs Computing kpt #: 246 total cpu time spent up to now is 20.7 secs Computing kpt #: 247 total cpu time spent up to now is 20.8 secs Computing kpt #: 248 total cpu time spent up to now is 20.8 secs Computing kpt #: 249 total cpu time spent up to now is 20.9 secs Computing kpt #: 250 total cpu time spent up to now is 21.0 secs Computing kpt #: 251 total cpu time spent up to now is 21.0 secs Computing kpt #: 252 total cpu time spent up to now is 21.1 secs Computing kpt #: 253 total cpu time spent up to now is 21.2 secs Computing kpt #: 254 total cpu time spent up to now is 21.3 secs Computing kpt #: 255 total cpu time spent up to now is 21.3 secs Computing kpt #: 256 total cpu time spent up to now is 21.4 secs Computing kpt #: 257 total cpu time spent up to now is 21.5 secs Computing kpt #: 258 total cpu time spent up to now is 21.5 secs Computing kpt #: 259 total cpu time spent up to now is 21.6 secs Computing kpt #: 260 total cpu time spent up to now is 21.7 secs Computing kpt #: 261 total cpu time spent up to now is 21.7 secs Computing kpt #: 262 total cpu time spent up to now is 21.8 secs Computing kpt #: 263 total cpu time spent up to now is 21.8 secs Computing kpt #: 264 total cpu time spent up to now is 21.9 secs Computing kpt #: 265 total cpu time spent up to now is 22.0 secs Computing kpt #: 266 total cpu time spent up to now is 22.0 secs Computing kpt #: 267 total cpu time spent up to now is 22.1 secs Computing kpt #: 268 total cpu time spent up to now is 22.2 secs Computing kpt #: 269 total cpu time spent up to now is 22.2 secs Computing kpt #: 270 total cpu time spent up to now is 22.3 secs Computing kpt #: 271 total cpu time spent up to now is 22.3 secs Computing kpt #: 272 total cpu time spent up to now is 22.4 secs Computing kpt #: 273 total cpu time spent up to now is 22.4 secs Computing kpt #: 274 total cpu time spent up to now is 22.5 secs Computing kpt #: 275 total cpu time spent up to now is 22.6 secs Computing kpt #: 276 total cpu time spent up to now is 22.6 secs Computing kpt #: 277 total cpu time spent up to now is 22.7 secs Computing kpt #: 278 total cpu time spent up to now is 22.7 secs Computing kpt #: 279 total cpu time spent up to now is 22.8 secs Computing kpt #: 280 total cpu time spent up to now is 22.9 secs Computing kpt #: 281 total cpu time spent up to now is 22.9 secs Computing kpt #: 282 total cpu time spent up to now is 23.0 secs Computing kpt #: 283 total cpu time spent up to now is 23.0 secs Computing kpt #: 284 total cpu time spent up to now is 23.1 secs Computing kpt #: 285 total cpu time spent up to now is 23.1 secs Computing kpt #: 286 total cpu time spent up to now is 23.2 secs Computing kpt #: 287 total cpu time spent up to now is 23.2 secs Computing kpt #: 288 total cpu time spent up to now is 23.3 secs Computing kpt #: 289 total cpu time spent up to now is 23.3 secs Computing kpt #: 290 total cpu time spent up to now is 23.4 secs Computing kpt #: 291 total cpu time spent up to now is 23.5 secs Computing kpt #: 292 total cpu time spent up to now is 23.5 secs Computing kpt #: 293 total cpu time spent up to now is 23.6 secs Computing kpt #: 294 total cpu time spent up to now is 23.6 secs Computing kpt #: 295 total cpu time spent up to now is 23.7 secs Computing kpt #: 296 total cpu time spent up to now is 23.7 secs Computing kpt #: 297 total cpu time spent up to now is 23.8 secs Computing kpt #: 298 total cpu time spent up to now is 23.9 secs Computing kpt #: 299 total cpu time spent up to now is 23.9 secs Computing kpt #: 300 total cpu time spent up to now is 24.0 secs Computing kpt #: 301 total cpu time spent up to now is 24.0 secs Computing kpt #: 302 total cpu time spent up to now is 24.1 secs Computing kpt #: 303 total cpu time spent up to now is 24.2 secs Computing kpt #: 304 total cpu time spent up to now is 24.2 secs Computing kpt #: 305 total cpu time spent up to now is 24.3 secs Computing kpt #: 306 total cpu time spent up to now is 24.3 secs Computing kpt #: 307 total cpu time spent up to now is 24.4 secs Computing kpt #: 308 total cpu time spent up to now is 24.4 secs Computing kpt #: 309 total cpu time spent up to now is 24.5 secs Computing kpt #: 310 total cpu time spent up to now is 24.6 secs Computing kpt #: 311 total cpu time spent up to now is 24.6 secs Computing kpt #: 312 total cpu time spent up to now is 24.7 secs Computing kpt #: 313 total cpu time spent up to now is 24.7 secs Computing kpt #: 314 total cpu time spent up to now is 24.8 secs Computing kpt #: 315 total cpu time spent up to now is 24.9 secs Computing kpt #: 316 total cpu time spent up to now is 24.9 secs Computing kpt #: 317 total cpu time spent up to now is 25.0 secs Computing kpt #: 318 total cpu time spent up to now is 25.1 secs Computing kpt #: 319 total cpu time spent up to now is 25.2 secs Computing kpt #: 320 total cpu time spent up to now is 25.2 secs Computing kpt #: 321 total cpu time spent up to now is 25.3 secs Computing kpt #: 322 total cpu time spent up to now is 25.4 secs Computing kpt #: 323 total cpu time spent up to now is 25.5 secs Computing kpt #: 324 total cpu time spent up to now is 25.6 secs Computing kpt #: 325 total cpu time spent up to now is 25.6 secs Computing kpt #: 326 total cpu time spent up to now is 25.7 secs Computing kpt #: 327 total cpu time spent up to now is 25.8 secs Computing kpt #: 328 total cpu time spent up to now is 25.9 secs Computing kpt #: 329 total cpu time spent up to now is 26.0 secs Computing kpt #: 330 total cpu time spent up to now is 26.0 secs Computing kpt #: 331 total cpu time spent up to now is 26.1 secs Computing kpt #: 332 total cpu time spent up to now is 26.2 secs Computing kpt #: 333 total cpu time spent up to now is 26.3 secs Computing kpt #: 334 total cpu time spent up to now is 26.3 secs Computing kpt #: 335 total cpu time spent up to now is 26.4 secs Computing kpt #: 336 total cpu time spent up to now is 26.5 secs Computing kpt #: 337 total cpu time spent up to now is 26.5 secs Computing kpt #: 338 total cpu time spent up to now is 26.6 secs Computing kpt #: 339 total cpu time spent up to now is 26.7 secs Computing kpt #: 340 total cpu time spent up to now is 26.8 secs Computing kpt #: 341 total cpu time spent up to now is 26.9 secs Computing kpt #: 342 total cpu time spent up to now is 26.9 secs Computing kpt #: 343 total cpu time spent up to now is 27.0 secs Computing kpt #: 344 total cpu time spent up to now is 27.1 secs Computing kpt #: 345 total cpu time spent up to now is 27.2 secs Computing kpt #: 346 total cpu time spent up to now is 27.2 secs Computing kpt #: 347 total cpu time spent up to now is 27.3 secs Computing kpt #: 348 total cpu time spent up to now is 27.4 secs Computing kpt #: 349 total cpu time spent up to now is 27.5 secs Computing kpt #: 350 total cpu time spent up to now is 27.5 secs Computing kpt #: 351 total cpu time spent up to now is 27.6 secs Computing kpt #: 352 total cpu time spent up to now is 27.7 secs Computing kpt #: 353 total cpu time spent up to now is 27.8 secs Computing kpt #: 354 total cpu time spent up to now is 27.9 secs Computing kpt #: 355 total cpu time spent up to now is 28.0 secs Computing kpt #: 356 total cpu time spent up to now is 28.0 secs Computing kpt #: 357 total cpu time spent up to now is 28.2 secs Computing kpt #: 358 total cpu time spent up to now is 28.2 secs Computing kpt #: 359 total cpu time spent up to now is 28.3 secs Computing kpt #: 360 total cpu time spent up to now is 28.4 secs Computing kpt #: 361 total cpu time spent up to now is 28.5 secs Computing kpt #: 362 total cpu time spent up to now is 28.6 secs Computing kpt #: 363 total cpu time spent up to now is 28.7 secs Computing kpt #: 364 total cpu time spent up to now is 28.7 secs Computing kpt #: 365 total cpu time spent up to now is 28.8 secs Computing kpt #: 366 total cpu time spent up to now is 28.9 secs Computing kpt #: 367 total cpu time spent up to now is 29.0 secs Computing kpt #: 368 total cpu time spent up to now is 29.1 secs Computing kpt #: 369 total cpu time spent up to now is 29.1 secs Computing kpt #: 370 total cpu time spent up to now is 29.2 secs Computing kpt #: 371 total cpu time spent up to now is 29.3 secs Computing kpt #: 372 total cpu time spent up to now is 29.3 secs Computing kpt #: 373 total cpu time spent up to now is 29.4 secs Computing kpt #: 374 total cpu time spent up to now is 29.5 secs Computing kpt #: 375 total cpu time spent up to now is 29.5 secs Computing kpt #: 376 total cpu time spent up to now is 29.6 secs Computing kpt #: 377 total cpu time spent up to now is 29.6 secs Computing kpt #: 378 total cpu time spent up to now is 29.7 secs Computing kpt #: 379 total cpu time spent up to now is 29.8 secs Computing kpt #: 380 total cpu time spent up to now is 29.8 secs Computing kpt #: 381 total cpu time spent up to now is 29.9 secs Computing kpt #: 382 total cpu time spent up to now is 29.9 secs Computing kpt #: 383 total cpu time spent up to now is 30.0 secs Computing kpt #: 384 total cpu time spent up to now is 30.1 secs Computing kpt #: 385 total cpu time spent up to now is 30.1 secs Computing kpt #: 386 total cpu time spent up to now is 30.2 secs Computing kpt #: 387 total cpu time spent up to now is 30.2 secs Computing kpt #: 388 total cpu time spent up to now is 30.3 secs Computing kpt #: 389 total cpu time spent up to now is 30.4 secs Computing kpt #: 390 total cpu time spent up to now is 30.4 secs Computing kpt #: 391 total cpu time spent up to now is 30.5 secs Computing kpt #: 392 total cpu time spent up to now is 30.5 secs Computing kpt #: 393 total cpu time spent up to now is 30.6 secs Computing kpt #: 394 total cpu time spent up to now is 30.6 secs Computing kpt #: 395 total cpu time spent up to now is 30.7 secs Computing kpt #: 396 total cpu time spent up to now is 30.8 secs Computing kpt #: 397 total cpu time spent up to now is 30.8 secs Computing kpt #: 398 total cpu time spent up to now is 30.9 secs Computing kpt #: 399 total cpu time spent up to now is 30.9 secs Computing kpt #: 400 total cpu time spent up to now is 31.0 secs Computing kpt #: 401 total cpu time spent up to now is 31.1 secs Computing kpt #: 402 total cpu time spent up to now is 31.1 secs Computing kpt #: 403 total cpu time spent up to now is 31.2 secs Computing kpt #: 404 total cpu time spent up to now is 31.2 secs Computing kpt #: 405 total cpu time spent up to now is 31.3 secs Computing kpt #: 406 total cpu time spent up to now is 31.3 secs Computing kpt #: 407 total cpu time spent up to now is 31.4 secs Computing kpt #: 408 total cpu time spent up to now is 31.4 secs Computing kpt #: 409 total cpu time spent up to now is 31.5 secs Computing kpt #: 410 total cpu time spent up to now is 31.5 secs Computing kpt #: 411 total cpu time spent up to now is 31.6 secs Computing kpt #: 412 total cpu time spent up to now is 31.7 secs Computing kpt #: 413 total cpu time spent up to now is 31.7 secs Computing kpt #: 414 total cpu time spent up to now is 31.8 secs Computing kpt #: 415 total cpu time spent up to now is 31.8 secs Computing kpt #: 416 total cpu time spent up to now is 31.9 secs Computing kpt #: 417 total cpu time spent up to now is 31.9 secs Computing kpt #: 418 total cpu time spent up to now is 32.0 secs Computing kpt #: 419 total cpu time spent up to now is 32.0 secs Computing kpt #: 420 total cpu time spent up to now is 32.1 secs Computing kpt #: 421 total cpu time spent up to now is 32.1 secs Computing kpt #: 422 total cpu time spent up to now is 32.2 secs Computing kpt #: 423 total cpu time spent up to now is 32.3 secs Computing kpt #: 424 total cpu time spent up to now is 32.3 secs Computing kpt #: 425 total cpu time spent up to now is 32.4 secs Computing kpt #: 426 total cpu time spent up to now is 32.4 secs Computing kpt #: 427 total cpu time spent up to now is 32.5 secs Computing kpt #: 428 total cpu time spent up to now is 32.6 secs Computing kpt #: 429 total cpu time spent up to now is 32.6 secs Computing kpt #: 430 total cpu time spent up to now is 32.7 secs Computing kpt #: 431 total cpu time spent up to now is 32.7 secs Computing kpt #: 432 total cpu time spent up to now is 32.8 secs Computing kpt #: 433 total cpu time spent up to now is 32.8 secs Computing kpt #: 434 total cpu time spent up to now is 32.9 secs Computing kpt #: 435 total cpu time spent up to now is 33.0 secs Computing kpt #: 436 total cpu time spent up to now is 33.0 secs Computing kpt #: 437 total cpu time spent up to now is 33.1 secs Computing kpt #: 438 total cpu time spent up to now is 33.1 secs Computing kpt #: 439 total cpu time spent up to now is 33.2 secs Computing kpt #: 440 total cpu time spent up to now is 33.3 secs Computing kpt #: 441 total cpu time spent up to now is 33.3 secs Computing kpt #: 442 total cpu time spent up to now is 33.4 secs Computing kpt #: 443 total cpu time spent up to now is 33.5 secs Computing kpt #: 444 total cpu time spent up to now is 33.5 secs Computing kpt #: 445 total cpu time spent up to now is 33.6 secs Computing kpt #: 446 total cpu time spent up to now is 33.7 secs Computing kpt #: 447 total cpu time spent up to now is 33.8 secs Computing kpt #: 448 total cpu time spent up to now is 33.8 secs Computing kpt #: 449 total cpu time spent up to now is 33.9 secs Computing kpt #: 450 total cpu time spent up to now is 34.0 secs Computing kpt #: 451 total cpu time spent up to now is 34.1 secs Computing kpt #: 452 total cpu time spent up to now is 34.2 secs Computing kpt #: 453 total cpu time spent up to now is 34.3 secs Computing kpt #: 454 total cpu time spent up to now is 34.3 secs Computing kpt #: 455 total cpu time spent up to now is 34.4 secs Computing kpt #: 456 total cpu time spent up to now is 34.5 secs Computing kpt #: 457 total cpu time spent up to now is 34.6 secs Computing kpt #: 458 total cpu time spent up to now is 34.6 secs Computing kpt #: 459 total cpu time spent up to now is 34.7 secs Computing kpt #: 460 total cpu time spent up to now is 34.8 secs Computing kpt #: 461 total cpu time spent up to now is 34.9 secs Computing kpt #: 462 total cpu time spent up to now is 35.0 secs Computing kpt #: 463 total cpu time spent up to now is 35.1 secs Computing kpt #: 464 total cpu time spent up to now is 35.2 secs Computing kpt #: 465 total cpu time spent up to now is 35.3 secs Computing kpt #: 466 total cpu time spent up to now is 35.4 secs Computing kpt #: 467 total cpu time spent up to now is 35.5 secs Computing kpt #: 468 total cpu time spent up to now is 35.5 secs Computing kpt #: 469 total cpu time spent up to now is 35.6 secs Computing kpt #: 470 total cpu time spent up to now is 35.7 secs Computing kpt #: 471 total cpu time spent up to now is 35.8 secs Computing kpt #: 472 total cpu time spent up to now is 35.9 secs Computing kpt #: 473 total cpu time spent up to now is 35.9 secs Computing kpt #: 474 total cpu time spent up to now is 36.0 secs Computing kpt #: 475 total cpu time spent up to now is 36.1 secs Computing kpt #: 476 total cpu time spent up to now is 36.1 secs Computing kpt #: 477 total cpu time spent up to now is 36.2 secs Computing kpt #: 478 total cpu time spent up to now is 36.3 secs Computing kpt #: 479 total cpu time spent up to now is 36.3 secs Computing kpt #: 480 total cpu time spent up to now is 36.4 secs Computing kpt #: 481 total cpu time spent up to now is 36.5 secs Computing kpt #: 482 total cpu time spent up to now is 36.5 secs Computing kpt #: 483 total cpu time spent up to now is 36.6 secs ethr = 7.14E-08, avg # of iterations = 13.6 total cpu time spent up to now is 36.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -9.5550 -9.5550 7.2764 7.2764 7.3227 7.3227 7.3227 7.3227 9.6481 9.6481 9.6481 9.6481 9.7381 9.7381 10.2000 10.2000 10.2000 10.2000 11.9520 11.9520 27.1748 27.1748 k = 0.0068-0.0039 0.0055 ( 725 PWs) bands (ev): -9.5544 -9.5544 7.2732 7.2732 7.3179 7.3179 7.3214 7.3214 9.6482 9.6482 9.6498 9.6498 9.7390 9.7390 10.2002 10.2002 10.2042 10.2042 11.9562 11.9562 27.1631 27.1631 k = 0.0135-0.0078 0.0110 ( 725 PWs) bands (ev): -9.5527 -9.5527 7.2620 7.2620 7.3055 7.3055 7.3176 7.3176 9.6486 9.6486 9.6548 9.6548 9.7418 9.7418 10.2008 10.2008 10.2165 10.2165 11.9690 11.9690 27.1291 27.1291 k = 0.0203-0.0117 0.0166 ( 725 PWs) bands (ev): -9.5498 -9.5498 7.2379 7.2379 7.2909 7.2909 7.3114 7.3114 9.6487 9.6487 9.6631 9.6631 9.7469 9.7469 10.2018 10.2018 10.2364 10.2364 11.9903 11.9903 27.0753 27.0753 k = 0.0270-0.0156 0.0221 ( 725 PWs) bands (ev): -9.5458 -9.5458 7.1985 7.1985 7.2775 7.2775 7.3027 7.3027 9.6481 9.6481 9.6745 9.6745 9.7546 9.7546 10.2033 10.2033 10.2630 10.2630 12.0202 12.0202 27.0053 27.0053 k = 0.0338-0.0195 0.0276 ( 725 PWs) bands (ev): -9.5407 -9.5407 7.1461 7.1461 7.2642 7.2642 7.2917 7.2917 9.6464 9.6464 9.6890 9.6890 9.7654 9.7654 10.2051 10.2051 10.2950 10.2950 12.0588 12.0588 26.9228 26.9228 k = 0.0405-0.0234 0.0331 ( 729 PWs) bands (ev): -9.5344 -9.5344 7.0833 7.0833 7.2497 7.2497 7.2786 7.2786 9.6432 9.6432 9.7062 9.7062 9.7792 9.7792 10.2074 10.2074 10.3310 10.3310 12.1061 12.1061 26.8310 26.8310 k = 0.0473-0.0273 0.0386 ( 729 PWs) bands (ev): -9.5271 -9.5271 7.0118 7.0118 7.2337 7.2337 7.2634 7.2634 9.6384 9.6384 9.7262 9.7262 9.7963 9.7963 10.2101 10.2101 10.3701 10.3701 12.1622 12.1622 26.7327 26.7327 k = 0.0541-0.0312 0.0441 ( 729 PWs) bands (ev): -9.5186 -9.5186 6.9331 6.9331 7.2161 7.2161 7.2463 7.2463 9.6322 9.6322 9.7487 9.7487 9.8164 9.8164 10.2132 10.2132 10.4110 10.4110 12.2269 12.2269 26.6298 26.6298 k = 0.0608-0.0351 0.0497 ( 729 PWs) bands (ev): -9.5091 -9.5091 6.8485 6.8485 7.1968 7.1968 7.2274 7.2274 9.6244 9.6244 9.7735 9.7735 9.8392 9.8392 10.2167 10.2167 10.4527 10.4527 12.3001 12.3001 26.5241 26.5241 k = 0.0676-0.0390 0.0552 ( 729 PWs) bands (ev): -9.4985 -9.4985 6.7591 6.7591 7.1761 7.1761 7.2070 7.2070 9.6153 9.6153 9.8004 9.8004 9.8644 9.8644 10.2207 10.2207 10.4944 10.4944 12.3815 12.3815 26.4168 26.4168 k = 0.0743-0.0429 0.0607 ( 729 PWs) bands (ev): -9.4869 -9.4869 6.6659 6.6659 7.1540 7.1540 7.1852 7.1852 9.6049 9.6049 9.8292 9.8292 9.8918 9.8918 10.2251 10.2251 10.5353 10.5353 12.4707 12.4707 26.3088 26.3089 k = 0.0811-0.0468 0.0662 ( 729 PWs) bands (ev): -9.4743 -9.4743 6.5697 6.5697 7.1307 7.1307 7.1621 7.1621 9.5934 9.5934 9.8598 9.8598 9.9210 9.9210 10.2299 10.2299 10.5752 10.5752 12.5671 12.5671 26.2010 26.2010 k = 0.0878-0.0507 0.0717 ( 733 PWs) bands (ev): -9.4608 -9.4608 6.4714 6.4714 7.1064 7.1064 7.1380 7.1380 9.5807 9.5807 9.8917 9.8917 9.9518 9.9518 10.2350 10.2350 10.6136 10.6136 12.6703 12.6703 26.0937 26.0937 k = 0.0946-0.0546 0.0772 ( 733 PWs) bands (ev): -9.4463 -9.4463 6.3715 6.3715 7.0811 7.0811 7.1129 7.1129 9.5669 9.5669 9.9250 9.9250 9.9841 9.9841 10.2407 10.2407 10.6505 10.6505 12.7797 12.7797 25.9874 25.9874 k = 0.1014-0.0585 0.0828 ( 733 PWs) bands (ev): -9.4309 -9.4309 6.2707 6.2707 7.0551 7.0551 7.0871 7.0871 9.5522 9.5522 9.9594 9.9594 10.0174 10.0174 10.2469 10.2469 10.6858 10.6858 12.8947 12.8947 25.8825 25.8825 k = 0.1081-0.0624 0.0883 ( 733 PWs) bands (ev): -9.4146 -9.4146 6.1695 6.1695 7.0286 7.0286 7.0607 7.0607 9.5365 9.5365 9.9947 9.9947 10.0516 10.0516 10.2537 10.2537 10.7196 10.7196 13.0145 13.0145 25.7792 25.7792 k = 0.1149-0.0663 0.0938 ( 725 PWs) bands (ev): -9.3974 -9.3974 6.0683 6.0683 7.0015 7.0015 7.0338 7.0338 9.5199 9.5199 10.0312 10.0312 10.0866 10.0866 10.2613 10.2613 10.7519 10.7519 13.1386 13.1386 25.6777 25.6777 k = 0.1216-0.0702 0.0993 ( 729 PWs) bands (ev): -9.3795 -9.3795 5.9674 5.9674 6.9741 6.9741 7.0065 7.0065 9.5025 9.5025 10.0679 10.0679 10.1214 10.1214 10.2696 10.2696 10.7825 10.7825 13.2664 13.2664 25.5781 25.5781 k = 0.1284-0.0741 0.1048 ( 729 PWs) bands (ev): -9.3608 -9.3608 5.8673 5.8673 6.9465 6.9465 6.9790 6.9790 9.4842 9.4842 10.1049 10.1049 10.1559 10.1559 10.2790 10.2790 10.8121 10.8121 13.3972 13.3972 25.4806 25.4806 k = 0.1351-0.0780 0.1103 ( 721 PWs) bands (ev): -9.3414 -9.3414 5.7684 5.7684 6.9188 6.9188 6.9515 6.9515 9.4651 9.4651 10.1424 10.1424 10.1894 10.1894 10.2902 10.2902 10.8409 10.8409 13.5308 13.5308 25.3852 25.3852 k = 0.1419-0.0819 0.1159 ( 721 PWs) bands (ev): -9.3214 -9.3214 5.6708 5.6708 6.8910 6.8910 6.9239 6.9239 9.4453 9.4453 10.1798 10.1798 10.2204 10.2204 10.3042 10.3042 10.8683 10.8683 13.6662 13.6662 25.2920 25.2920 k = 0.1486-0.0858 0.1214 ( 721 PWs) bands (ev): -9.3007 -9.3007 5.5747 5.5747 6.8633 6.8633 6.8963 6.8963 9.4249 9.4249 10.2172 10.2172 10.2471 10.2471 10.3227 10.3227 10.8948 10.8948 13.8032 13.8032 25.2011 25.2011 k = 0.1554-0.0897 0.1269 ( 721 PWs) bands (ev): -9.2794 -9.2794 5.4805 5.4805 6.8358 6.8358 6.8689 6.8689 9.4038 9.4038 10.2544 10.2544 10.2683 10.2683 10.3468 10.3468 10.9204 10.9204 13.9413 13.9413 25.1124 25.1124 k = 0.1622-0.0936 0.1324 ( 729 PWs) bands (ev): -9.2576 -9.2576 5.3883 5.3883 6.8085 6.8085 6.8418 6.8418 9.3821 9.3821 10.2846 10.2846 10.2909 10.2909 10.3755 10.3755 10.9451 10.9451 14.0801 14.0801 25.0260 25.0260 k = 0.1689-0.0975 0.1379 ( 737 PWs) bands (ev): -9.2353 -9.2353 5.2982 5.2982 6.7815 6.7815 6.8149 6.8149 9.3598 9.3598 10.2980 10.2980 10.3272 10.3272 10.4071 10.4071 10.9689 10.9689 14.2191 14.2191 24.9419 24.9419 k = 0.1757-0.1014 0.1434 ( 737 PWs) bands (ev): -9.2126 -9.2126 5.2106 5.2106 6.7549 6.7549 6.7885 6.7885 9.3371 9.3371 10.3097 10.3097 10.3631 10.3631 10.4403 10.4403 10.9922 10.9922 14.3582 14.3582 24.8601 24.8601 k = 0.1824-0.1053 0.1490 ( 725 PWs) bands (ev): -9.1895 -9.1895 5.1254 5.1254 6.7289 6.7289 6.7626 6.7626 9.3141 9.3141 10.3209 10.3209 10.3986 10.3986 10.4741 10.4741 11.0148 11.0148 14.4970 14.4970 24.7807 24.7807 k = 0.1892-0.1092 0.1545 ( 725 PWs) bands (ev): -9.1661 -9.1661 5.0428 5.0428 6.7032 6.7032 6.7370 6.7370 9.2905 9.2905 10.3314 10.3314 10.4332 10.4332 10.5076 10.5076 11.0367 11.0367 14.6350 14.6350 24.7035 24.7035 k = 0.1959-0.1131 0.1600 ( 725 PWs) bands (ev): -9.1424 -9.1424 4.9629 4.9629 6.6780 6.6780 6.7120 6.7120 9.2666 9.2666 10.3417 10.3417 10.4669 10.4669 10.5407 10.5407 11.0580 11.0580 14.7720 14.7720 24.6285 24.6285 k = 0.2027-0.1170 0.1655 ( 725 PWs) bands (ev): -9.1185 -9.1185 4.8858 4.8858 6.6535 6.6535 6.6876 6.6876 9.2424 9.2424 10.3519 10.3519 10.4997 10.4997 10.5731 10.5731 11.0785 11.0785 14.9077 14.9077 24.5558 24.5559 k = 0.2095-0.1209 0.1710 ( 721 PWs) bands (ev): -9.0944 -9.0944 4.8117 4.8117 6.6295 6.6295 6.6638 6.6638 9.2180 9.2180 10.3620 10.3620 10.5316 10.5316 10.6049 10.6049 11.0985 11.0985 15.0419 15.0419 24.4854 24.4854 k = 0.2162-0.1248 0.1765 ( 721 PWs) bands (ev): -9.0702 -9.0702 4.7405 4.7405 6.6062 6.6062 6.6406 6.6406 9.1933 9.1933 10.3721 10.3721 10.5625 10.5625 10.6357 10.6357 11.1175 11.1175 15.1743 15.1743 24.4172 24.4172 k = 0.2230-0.1287 0.1821 ( 721 PWs) bands (ev): -9.0459 -9.0459 4.6724 4.6724 6.5835 6.5835 6.6181 6.6181 9.1685 9.1685 10.3823 10.3823 10.5922 10.5922 10.6655 10.6655 11.1358 11.1358 15.3046 15.3046 24.3511 24.3511 k = 0.2297-0.1326 0.1876 ( 729 PWs) bands (ev): -9.0217 -9.0217 4.6073 4.6073 6.5615 6.5615 6.5963 6.5963 9.1434 9.1434 10.3922 10.3922 10.6205 10.6205 10.6939 10.6939 11.1533 11.1533 15.4327 15.4327 24.2872 24.2872 k = 0.2365-0.1365 0.1931 ( 729 PWs) bands (ev): -8.9975 -8.9975 4.5454 4.5454 6.5403 6.5403 6.5752 6.5752 9.1184 9.1184 10.4024 10.4024 10.6479 10.6479 10.7216 10.7216 11.1699 11.1699 15.5583 15.5583 24.2254 24.2254 k = 0.2432-0.1404 0.1986 ( 729 PWs) bands (ev): -8.9734 -8.9734 4.4866 4.4866 6.5197 6.5197 6.5548 6.5548 9.0933 9.0933 10.4126 10.4126 10.6740 10.6740 10.7480 10.7480 11.1856 11.1856 15.6812 15.6812 24.1657 24.1657 k = 0.2500-0.1443 0.2041 ( 729 PWs) bands (ev): -8.9494 -8.9494 4.4310 4.4310 6.4999 6.4999 6.5352 6.5352 9.0683 9.0683 10.4227 10.4227 10.6989 10.6989 10.7733 10.7733 11.2004 11.2004 15.8011 15.8011 24.0857 24.1080 k = 0.2568-0.1482 0.2096 ( 729 PWs) bands (ev): -8.9256 -8.9256 4.3786 4.3786 6.4809 6.4809 6.5163 6.5163 9.0434 9.0434 10.4329 10.4329 10.7226 10.7226 10.7973 10.7973 11.2141 11.2141 15.9181 15.9181 23.8691 23.8691 k = 0.2635-0.1521 0.2152 ( 729 PWs) bands (ev): -8.9021 -8.9021 4.3295 4.3295 6.4626 6.4626 6.4981 6.4981 9.0186 9.0186 10.4430 10.4430 10.7449 10.7449 10.8201 10.8201 11.2268 11.2268 16.0317 16.0317 23.6577 23.6577 k = 0.2703-0.1560 0.2207 ( 725 PWs) bands (ev): -8.8789 -8.8789 4.2836 4.2836 6.4450 6.4450 6.4807 6.4807 8.9939 8.9939 10.4531 10.4531 10.7661 10.7661 10.8417 10.8417 11.2384 11.2384 16.1419 16.1419 23.4520 23.4520 k = 0.2770-0.1599 0.2262 ( 725 PWs) bands (ev): -8.8560 -8.8560 4.2408 4.2408 6.4282 6.4282 6.4641 6.4641 8.9694 8.9694 10.4632 10.4632 10.7859 10.7859 10.8620 10.8620 11.2488 11.2488 16.2485 16.2485 23.2519 23.2520 k = 0.2838-0.1638 0.2317 ( 725 PWs) bands (ev): -8.8335 -8.8335 4.2012 4.2012 6.4122 6.4122 6.4482 6.4482 8.9452 8.9452 10.4731 10.4731 10.8043 10.8043 10.8809 10.8809 11.2580 11.2580 16.3513 16.3513 23.0579 23.0579 k = 0.2905-0.1677 0.2372 ( 725 PWs) bands (ev): -8.8114 -8.8114 4.1647 4.1647 6.3968 6.3968 6.4330 6.4330 8.9213 8.9213 10.4830 10.4830 10.8215 10.8215 10.8986 10.8986 11.2659 11.2659 16.4503 16.4503 22.8699 22.8699 k = 0.2973-0.1716 0.2427 ( 721 PWs) bands (ev): -8.7898 -8.7898 4.1313 4.1313 6.3823 6.3823 6.4186 6.4186 8.8980 8.8980 10.4927 10.4927 10.8374 10.8374 10.9151 10.9151 11.2725 11.2725 16.5452 16.5452 22.6883 22.6883 k = 0.3041-0.1755 0.2483 ( 721 PWs) bands (ev): -8.7687 -8.7687 4.1009 4.1009 6.3684 6.3684 6.4049 6.4049 8.8748 8.8748 10.5023 10.5023 10.8520 10.8520 10.9303 10.9303 11.2778 11.2778 16.6360 16.6360 22.5132 22.5132 k = 0.3108-0.1794 0.2538 ( 721 PWs) bands (ev): -8.7481 -8.7481 4.0735 4.0735 6.3553 6.3553 6.3919 6.3919 8.8520 8.8520 10.5118 10.5118 10.8654 10.8654 10.9443 10.9443 11.2817 11.2817 16.7226 16.7226 22.3447 22.3447 k = 0.3176-0.1833 0.2593 ( 721 PWs) bands (ev): -8.7280 -8.7280 4.0489 4.0489 6.3429 6.3429 6.3797 6.3797 8.8296 8.8296 10.5211 10.5211 10.8776 10.8776 10.9572 10.9572 11.2843 11.2843 16.8048 16.8048 22.1830 22.1830 k = 0.3243-0.1872 0.2648 ( 717 PWs) bands (ev): -8.7086 -8.7086 4.0272 4.0272 6.3311 6.3311 6.3681 6.3681 8.8077 8.8077 10.5303 10.5303 10.8887 10.8887 10.9689 10.9689 11.2857 11.2857 16.8826 16.8826 22.0283 22.0283 k = 0.3311-0.1911 0.2703 ( 717 PWs) bands (ev): -8.6898 -8.6898 4.0081 4.0081 6.3201 6.3201 6.3572 6.3572 8.7863 8.7863 10.5393 10.5393 10.8986 10.8986 10.9795 10.9795 11.2855 11.2855 16.9560 16.9560 21.8806 21.8806 k = 0.3378-0.1951 0.2758 ( 717 PWs) bands (ev): -8.6716 -8.6716 3.9916 3.9916 6.3097 6.3097 6.3469 6.3469 8.7655 8.7655 10.5480 10.5480 10.9074 10.9074 10.9891 10.9891 11.2840 11.2840 17.0248 17.0248 21.7401 21.7401 k = 0.3446-0.1990 0.2814 ( 717 PWs) bands (ev): -8.6541 -8.6541 3.9775 3.9775 6.2999 6.2999 6.3373 6.3373 8.7453 8.7453 10.5565 10.5565 10.9152 10.9152 10.9977 10.9977 11.2812 11.2812 17.0892 17.0892 21.6068 21.6068 k = 0.3514-0.2029 0.2869 ( 717 PWs) bands (ev): -8.6373 -8.6373 3.9658 3.9658 6.2908 6.2908 6.3284 6.3284 8.7257 8.7257 10.5648 10.5648 10.9219 10.9219 11.0054 11.0054 11.2770 11.2770 17.1490 17.1490 21.4808 21.4808 k = 0.3581-0.2068 0.2924 ( 725 PWs) bands (ev): -8.6211 -8.6211 3.9561 3.9561 6.2823 6.2823 6.3200 6.3200 8.7067 8.7067 10.5729 10.5729 10.9276 10.9276 11.0120 11.0120 11.2713 11.2713 17.2043 17.2043 21.3621 21.3621 k = 0.3649-0.2107 0.2979 ( 733 PWs) bands (ev): -8.6057 -8.6057 3.9486 3.9486 6.2743 6.2743 6.3121 6.3121 8.6883 8.6883 10.5803 10.5803 10.9325 10.9325 11.0178 11.0178 11.2648 11.2648 17.2551 17.2551 21.2507 21.2507 k = 0.3716-0.2146 0.3034 ( 733 PWs) bands (ev): -8.5910 -8.5910 3.9430 3.9430 6.2669 6.2669 6.3049 6.3049 8.6708 8.6708 10.5878 10.5878 10.9366 10.9366 11.0230 11.0230 11.2574 11.2574 17.3016 17.3016 21.1467 21.1467 k = 0.3784-0.2185 0.3089 ( 733 PWs) bands (ev): -8.5771 -8.5771 3.9391 3.9391 6.2601 6.2601 6.2982 6.2982 8.6539 8.6539 10.5950 10.5950 10.9399 10.9399 11.0274 11.0274 11.2490 11.2490 17.3439 17.3439 21.0498 21.0498 k = 0.3851-0.2224 0.3145 ( 733 PWs) bands (ev): -8.5639 -8.5639 3.9368 3.9368 6.2538 6.2538 6.2920 6.2920 8.6379 8.6379 10.6018 10.6018 10.9424 10.9424 11.0312 11.0312 11.2399 11.2399 17.3820 17.3820 20.9601 20.9601 k = 0.3919-0.2263 0.3200 ( 733 PWs) bands (ev): -8.5515 -8.5515 3.9359 3.9359 6.2480 6.2480 6.2863 6.2863 8.6226 8.6226 10.6084 10.6084 10.9443 10.9443 11.0344 11.0344 11.2301 11.2301 17.4161 17.4161 20.8773 20.8773 k = 0.3986-0.2302 0.3255 ( 729 PWs) bands (ev): -8.5398 -8.5398 3.9363 3.9363 6.2426 6.2426 6.2811 6.2811 8.6081 8.6081 10.6146 10.6146 10.9456 10.9456 11.0371 11.0371 11.2200 11.2200 17.4465 17.4465 20.8015 20.8015 k = 0.4054-0.2341 0.3310 ( 729 PWs) bands (ev): -8.5289 -8.5289 3.9377 3.9377 6.2377 6.2377 6.2763 6.2763 8.5945 8.5945 10.6205 10.6205 10.9463 10.9463 11.0393 11.0393 11.2095 11.2095 17.4733 17.4733 20.7321 20.7321 k = 0.4122-0.2380 0.3365 ( 729 PWs) bands (ev): -8.5187 -8.5187 3.9400 3.9400 6.2333 6.2333 6.2720 6.2720 8.5817 8.5817 10.6260 10.6260 10.9464 10.9464 11.0410 11.0410 11.1987 11.1987 17.4967 17.4967 20.6692 20.6692 k = 0.4189-0.2419 0.3420 ( 741 PWs) bands (ev): -8.5093 -8.5093 3.9430 3.9430 6.2292 6.2292 6.2680 6.2680 8.5692 8.5692 10.6310 10.6310 10.9459 10.9459 11.0422 11.0422 11.1880 11.1880 17.5170 17.5170 20.6124 20.6124 k = 0.4257-0.2458 0.3476 ( 741 PWs) bands (ev): -8.5007 -8.5007 3.9465 3.9465 6.2256 6.2256 6.2644 6.2644 8.5581 8.5581 10.6358 10.6358 10.9451 10.9451 11.0433 11.0433 11.1775 11.1775 17.5345 17.5345 20.5614 20.5614 k = 0.4324-0.2497 0.3531 ( 741 PWs) bands (ev): -8.4928 -8.4928 3.9504 3.9504 6.2223 6.2223 6.2613 6.2613 8.5480 8.5480 10.6402 10.6402 10.9440 10.9440 11.0441 11.0441 11.1674 11.1674 17.5494 17.5494 20.5161 20.5161 k = 0.4392-0.2536 0.3586 ( 740 PWs) bands (ev): -8.4857 -8.4857 3.9544 3.9544 6.2195 6.2195 6.2585 6.2585 8.5388 8.5388 10.6441 10.6441 10.9426 10.9426 11.0446 11.0446 11.1578 11.1578 17.5619 17.5619 20.4762 20.4762 k = 0.4459-0.2575 0.3641 ( 740 PWs) bands (ev): -8.4793 -8.4793 3.9585 3.9585 6.2169 6.2169 6.2560 6.2560 8.5305 8.5305 10.6477 10.6477 10.9410 10.9410 11.0450 11.0450 11.1489 11.1489 17.5723 17.5723 20.4412 20.4412 k = 0.4527-0.2614 0.3696 ( 740 PWs) bands (ev): -8.4737 -8.4737 3.9625 3.9625 6.2147 6.2147 6.2539 6.2539 8.5232 8.5232 10.6509 10.6509 10.9393 10.9393 11.0452 11.0452 11.1408 11.1408 17.5809 17.5809 20.4111 20.4111 k = 0.4595-0.2653 0.3751 ( 740 PWs) bands (ev): -8.4689 -8.4689 3.9663 3.9663 6.2128 6.2128 6.2520 6.2520 8.5168 8.5168 10.6537 10.6537 10.9376 10.9376 11.0454 11.0454 11.1336 11.1336 17.5879 17.5879 20.3856 20.3856 k = 0.4662-0.2692 0.3807 ( 740 PWs) bands (ev): -8.4648 -8.4648 3.9697 3.9697 6.2113 6.2113 6.2505 6.2505 8.5114 8.5114 10.6560 10.6560 10.9359 10.9359 11.0454 11.0454 11.1274 11.1274 17.5934 17.5934 20.3643 20.3643 k = 0.4730-0.2731 0.3862 ( 740 PWs) bands (ev): -8.4614 -8.4614 3.9726 3.9726 6.2100 6.2100 6.2493 6.2493 8.5070 8.5070 10.6579 10.6579 10.9344 10.9344 11.0454 11.0454 11.1222 11.1222 17.5976 17.5976 20.3473 20.3473 k = 0.4797-0.2770 0.3917 ( 740 PWs) bands (ev): -8.4588 -8.4588 3.9750 3.9750 6.2090 6.2090 6.2483 6.2483 8.5035 8.5035 10.6594 10.6594 10.9332 10.9332 11.0454 11.0454 11.1182 11.1182 17.6008 17.6008 20.3341 20.3341 k = 0.4865-0.2809 0.3972 ( 740 PWs) bands (ev): -8.4570 -8.4570 3.9767 3.9767 6.2083 6.2083 6.2477 6.2477 8.5010 8.5010 10.6605 10.6605 10.9322 10.9322 11.0454 11.0454 11.1153 11.1153 17.6030 17.6030 20.3249 20.3249 k = 0.4932-0.2848 0.4027 ( 740 PWs) bands (ev): -8.4559 -8.4559 3.9778 3.9778 6.2079 6.2079 6.2473 6.2473 8.4995 8.4995 10.6612 10.6612 10.9316 10.9316 11.0454 11.0454 11.1135 11.1135 17.6043 17.6043 20.3194 20.3194 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -8.4555 -8.4555 3.9781 3.9781 6.2078 6.2078 6.2471 6.2471 8.4991 8.4991 10.6614 10.6614 10.9314 10.9314 11.0454 11.0454 11.1129 11.1129 17.6047 17.6047 20.3175 20.3175 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -8.4555 -8.4555 3.9781 3.9781 6.2078 6.2078 6.2471 6.2471 8.4991 8.4991 10.6614 10.6614 10.9314 10.9314 11.0454 11.0454 11.1129 11.1129 17.6047 17.6047 20.3175 20.3175 k = 0.5000-0.2809 0.4138 ( 740 PWs) bands (ev): -8.4553 -8.4553 3.9787 3.9787 6.2052 6.2052 6.2444 6.2444 8.5022 8.5022 10.6634 10.6634 10.9314 10.9314 11.0452 11.0452 11.1133 11.1133 17.6071 17.6071 20.3176 20.3176 k = 0.5000-0.2731 0.4193 ( 740 PWs) bands (ev): -8.4548 -8.4548 3.9802 3.9802 6.1973 6.1973 6.2363 6.2363 8.5116 8.5116 10.6692 10.6692 10.9314 10.9314 11.0449 11.0449 11.1144 11.1144 17.6143 17.6143 20.3180 20.3180 k = 0.5000-0.2653 0.4248 ( 740 PWs) bands (ev): -8.4540 -8.4540 3.9828 3.9828 6.1844 6.1844 6.2230 6.2230 8.5272 8.5272 10.6788 10.6788 10.9315 10.9315 11.0443 11.0443 11.1164 11.1164 17.6262 17.6262 20.3187 20.3187 k = 0.5000-0.2575 0.4303 ( 736 PWs) bands (ev): -8.4528 -8.4528 3.9864 3.9864 6.1667 6.1667 6.2047 6.2047 8.5488 8.5488 10.6917 10.6917 10.9317 10.9317 11.0435 11.0435 11.1194 11.1194 17.6430 17.6430 20.3196 20.3196 k = 0.5000-0.2497 0.4358 ( 736 PWs) bands (ev): -8.4514 -8.4514 3.9910 3.9910 6.1443 6.1443 6.1817 6.1817 8.5756 8.5756 10.7076 10.7076 10.9318 10.9318 11.0425 11.0425 11.1233 11.1233 17.6645 17.6645 20.3208 20.3208 k = 0.5000-0.2419 0.4413 ( 732 PWs) bands (ev): -8.4496 -8.4496 3.9967 3.9967 6.1176 6.1176 6.1543 6.1543 8.6079 8.6079 10.7259 10.7259 10.9319 10.9319 11.0414 11.0414 11.1286 11.1286 17.6908 17.6908 20.3223 20.3223 k = 0.5000-0.2341 0.4469 ( 732 PWs) bands (ev): -8.4475 -8.4475 4.0034 4.0034 6.0869 6.0869 6.1230 6.1230 8.6446 8.6446 10.7458 10.7458 10.9318 10.9318 11.0402 11.0402 11.1355 11.1355 17.7218 17.7218 20.3242 20.3242 k = 0.5000-0.2263 0.4524 ( 728 PWs) bands (ev): -8.4452 -8.4452 4.0111 4.0111 6.0528 6.0528 6.0881 6.0881 8.6856 8.6856 10.7667 10.7667 10.9317 10.9317 11.0391 11.0391 11.1443 11.1443 17.7575 17.7575 20.3265 20.3265 k = 0.5000-0.2185 0.4579 ( 728 PWs) bands (ev): -8.4426 -8.4426 4.0199 4.0199 6.0154 6.0154 6.0500 6.0500 8.7304 8.7304 10.7876 10.7876 10.9313 10.9313 11.0381 11.0381 11.1553 11.1553 17.7978 17.7978 20.3292 20.3292 k = 0.5000-0.2107 0.4634 ( 728 PWs) bands (ev): -8.4397 -8.4397 4.0297 4.0297 5.9754 5.9754 6.0091 6.0091 8.7786 8.7786 10.8075 10.8075 10.9305 10.9305 11.0373 11.0373 11.1691 11.1691 17.8427 17.8427 20.3324 20.3324 k = 0.5000-0.2029 0.4689 ( 728 PWs) bands (ev): -8.4367 -8.4367 4.0406 4.0406 5.9329 5.9329 5.9660 5.9660 8.8297 8.8297 10.8257 10.8257 10.9294 10.9294 11.0369 11.0369 11.1859 11.1859 17.8920 17.8920 20.3362 20.3362 k = 0.5000-0.1951 0.4745 ( 728 PWs) bands (ev): -8.4334 -8.4334 4.0525 4.0525 5.8885 5.8885 5.9209 5.9209 8.8834 8.8834 10.8414 10.8414 10.9277 10.9277 11.0369 11.0369 11.2061 11.2061 17.9457 17.9457 20.3405 20.3405 k = 0.5000-0.1872 0.4800 ( 728 PWs) bands (ev): -8.4299 -8.4299 4.0655 4.0655 5.8425 5.8425 5.8743 5.8743 8.9392 8.9392 10.8541 10.8541 10.9253 10.9253 11.0373 11.0373 11.2298 11.2298 18.0038 18.0038 20.3454 20.3454 k = 0.5000-0.1794 0.4855 ( 730 PWs) bands (ev): -8.4263 -8.4263 4.0795 4.0795 5.7951 5.7951 5.8265 5.8265 8.9969 8.9969 10.8634 10.8634 10.9227 10.9227 11.0381 11.0381 11.2566 11.2566 18.0659 18.0659 20.3511 20.3511 k = 0.5000-0.1716 0.4910 ( 734 PWs) bands (ev): -8.4226 -8.4226 4.0946 4.0946 5.7466 5.7466 5.7780 5.7780 9.0560 9.0560 10.8688 10.8688 10.9201 10.9201 11.0391 11.0391 11.2861 11.2861 18.1320 18.1320 20.3575 20.3575 k = 0.5000-0.1638 0.4965 ( 730 PWs) bands (ev): -8.4187 -8.4187 4.1108 4.1108 5.6974 5.6974 5.7291 5.7291 9.1166 9.1166 10.8701 10.8701 10.9184 10.9184 11.0406 11.0406 11.3180 11.3180 18.2018 18.2018 20.3649 20.3649 k = 0.5000-0.1560 0.5020 ( 730 PWs) bands (ev): -8.4148 -8.4148 4.1281 4.1281 5.6476 5.6476 5.6803 5.6803 9.1780 9.1780 10.8669 10.8669 10.9178 10.9178 11.0421 11.0421 11.3514 11.3514 18.2751 18.2751 20.3731 20.3731 k = 0.5000-0.1482 0.5076 ( 730 PWs) bands (ev): -8.4108 -8.4108 4.1464 4.1464 5.5974 5.5974 5.6318 5.6318 9.2401 9.2401 10.8597 10.8597 10.9184 10.9184 11.0436 11.0436 11.3858 11.3858 18.3516 18.3516 20.3824 20.3824 k = 0.5000-0.1404 0.5131 ( 730 PWs) bands (ev): -8.4068 -8.4068 4.1658 4.1658 5.5469 5.5469 5.5840 5.5840 9.3026 9.3026 10.8492 10.8492 10.9197 10.9197 11.0451 11.0451 11.4206 11.4206 18.4311 18.4311 20.3927 20.3927 k = 0.5000-0.1326 0.5186 ( 730 PWs) bands (ev): -8.4028 -8.4028 4.1863 4.1863 5.4962 5.4962 5.5373 5.5373 9.3654 9.3654 10.8362 10.8362 10.9212 10.9212 11.0466 11.0466 11.4554 11.4554 18.5130 18.5130 20.4042 20.4042 k = 0.5000-0.1248 0.5241 ( 730 PWs) bands (ev): -8.3989 -8.3989 4.2079 4.2079 5.4454 5.4454 5.4920 5.4920 9.4283 9.4283 10.8210 10.8210 10.9227 10.9227 11.0480 11.0480 11.4896 11.4896 18.5970 18.5970 20.4170 20.4170 k = 0.5000-0.1170 0.5296 ( 738 PWs) bands (ev): -8.3950 -8.3950 4.2306 4.2306 5.3947 5.3947 5.4482 5.4482 9.4909 9.4909 10.8036 10.8036 10.9239 10.9239 11.0491 11.0491 11.5228 11.5228 18.6826 18.6826 20.4311 20.4311 k = 0.5000-0.1092 0.5351 ( 738 PWs) bands (ev): -8.3912 -8.3912 4.2544 4.2544 5.3442 5.3442 5.4063 5.4063 9.5533 9.5533 10.7845 10.7845 10.9252 10.9252 11.0503 11.0503 11.5549 11.5549 18.7692 18.7692 20.4466 20.4466 k = 0.5000-0.1014 0.5407 ( 738 PWs) bands (ev): -8.3876 -8.3876 4.2793 4.2793 5.2939 5.2939 5.3665 5.3665 9.6153 9.6153 10.7636 10.7636 10.9264 10.9264 11.0515 11.0515 11.5856 11.5856 18.8563 18.8563 20.4636 20.4636 k = 0.5000-0.0936 0.5462 ( 732 PWs) bands (ev): -8.3840 -8.3840 4.3053 4.3053 5.2442 5.2442 5.3289 5.3289 9.6768 9.6768 10.7410 10.7410 10.9275 10.9275 11.0525 11.0525 11.6148 11.6148 18.9431 18.9431 20.4823 20.4823 k = 0.5000-0.0858 0.5517 ( 730 PWs) bands (ev): -8.3807 -8.3807 4.3324 4.3324 5.1948 5.1948 5.2938 5.2938 9.7374 9.7374 10.7165 10.7165 10.9285 10.9285 11.0535 11.0535 11.6420 11.6420 19.0287 19.0287 20.5026 20.5026 k = 0.5000-0.0780 0.5572 ( 730 PWs) bands (ev): -8.3775 -8.3775 4.3606 4.3606 5.1461 5.1461 5.2611 5.2611 9.7971 9.7971 10.6902 10.6902 10.9294 10.9294 11.0543 11.0543 11.6671 11.6671 19.1125 19.1125 20.5246 20.5246 k = 0.5000-0.0702 0.5627 ( 730 PWs) bands (ev): -8.3746 -8.3746 4.3899 4.3899 5.0980 5.0980 5.2311 5.2311 9.8558 9.8558 10.6622 10.6622 10.9302 10.9302 11.0551 11.0551 11.6901 11.6901 19.1933 19.1933 20.5485 20.5485 k = 0.5000-0.0624 0.5682 ( 726 PWs) bands (ev): -8.3719 -8.3719 4.4203 4.4203 5.0506 5.0506 5.2040 5.2040 9.9136 9.9136 10.6324 10.6324 10.9310 10.9310 11.0560 11.0560 11.7109 11.7109 19.2701 19.2701 20.5743 20.5743 k = 0.5000-0.0546 0.5738 ( 726 PWs) bands (ev): -8.3695 -8.3695 4.4519 4.4519 5.0041 5.0041 5.1798 5.1798 9.9700 9.9700 10.6008 10.6008 10.9316 10.9316 11.0566 11.0566 11.7294 11.7294 19.3419 19.3419 20.6020 20.6020 k = 0.5000-0.0468 0.5793 ( 730 PWs) bands (ev): -8.3674 -8.3674 4.4845 4.4845 4.9583 4.9583 5.1584 5.1584 10.0250 10.0250 10.5673 10.5673 10.9321 10.9321 11.0571 11.0571 11.7453 11.7453 19.4074 19.4074 20.6317 20.6317 k = 0.5000-0.0390 0.5848 ( 730 PWs) bands (ev): -8.3655 -8.3655 4.5182 4.5182 4.9134 4.9134 5.1403 5.1403 10.0786 10.0786 10.5322 10.5322 10.9325 10.9325 11.0575 11.0575 11.7590 11.7590 19.4656 19.4656 20.6635 20.6636 k = 0.5000-0.0312 0.5903 ( 730 PWs) bands (ev): -8.3640 -8.3640 4.5530 4.5530 4.8694 4.8694 5.1255 5.1255 10.1307 10.1307 10.4954 10.4954 10.9329 10.9329 11.0579 11.0579 11.7703 11.7703 19.5151 19.5151 20.6975 20.6975 k = 0.5000-0.0234 0.5958 ( 724 PWs) bands (ev): -8.3628 -8.3628 4.5888 4.5888 4.8264 4.8264 5.1138 5.1138 10.1814 10.1814 10.4570 10.4570 10.9332 10.9332 11.0582 11.0582 11.7791 11.7791 19.5551 19.5551 20.7335 20.7336 k = 0.5000-0.0156 0.6013 ( 724 PWs) bands (ev): -8.3620 -8.3620 4.6257 4.6257 4.7843 4.7843 5.1055 5.1055 10.2296 10.2296 10.4175 10.4175 10.9334 10.9334 11.0585 11.0585 11.7854 11.7854 19.5843 19.5843 20.7717 20.7717 k = 0.5000-0.0078 0.6069 ( 724 PWs) bands (ev): -8.3615 -8.3615 4.6636 4.6636 4.7434 4.7434 5.1005 5.1005 10.2739 10.2739 10.3782 10.3782 10.9335 10.9335 11.0586 11.0586 11.7892 11.7892 19.6021 19.6021 20.8115 20.8115 k = 0.5000-0.0000 0.6124 ( 724 PWs) bands (ev): -8.3613 -8.3613 4.6981 4.6981 4.7079 4.7079 5.0988 5.0988 10.3009 10.3009 10.3530 10.3530 10.9335 10.9335 11.0586 11.0586 11.7905 11.7905 19.6081 19.6081 20.8433 20.8437 k = 0.5000-0.0000 0.6124 ( 724 PWs) bands (ev): -8.3613 -8.3613 4.6981 4.6981 4.7079 4.7079 5.0988 5.0988 10.3009 10.3009 10.3530 10.3530 10.9335 10.9335 11.0586 11.0586 11.7905 11.7905 19.6081 19.6081 20.8433 20.8434 k = 0.4952 0.0083 0.6124 ( 724 PWs) bands (ev): -8.3614 -8.3614 4.6749 4.6749 4.7290 4.7290 5.1018 5.1018 10.2852 10.2852 10.3679 10.3679 10.9340 10.9340 11.0588 11.0588 11.7904 11.7904 19.6055 19.6055 20.8229 20.8229 k = 0.4904 0.0167 0.6124 ( 724 PWs) bands (ev): -8.3618 -8.3618 4.6483 4.6483 4.7487 4.7487 5.1112 5.1112 10.2560 10.2560 10.3947 10.3947 10.9354 10.9354 11.0595 11.0595 11.7900 11.7900 19.5981 19.5981 20.7946 20.7946 k = 0.4856 0.0250 0.6124 ( 729 PWs) bands (ev): -8.3624 -8.3624 4.6227 4.6227 4.7623 4.7623 5.1274 5.1274 10.2233 10.2233 10.4232 10.4232 10.9375 10.9375 11.0606 11.0606 11.7894 11.7894 19.5861 19.5861 20.7669 20.7669 k = 0.4808 0.0333 0.6124 ( 729 PWs) bands (ev): -8.3632 -8.3632 4.5979 4.5979 4.7700 4.7700 5.1500 5.1500 10.1896 10.1896 10.4517 10.4517 10.9406 10.9406 11.0624 11.0624 11.7884 11.7884 19.5701 19.5701 20.7402 20.7402 k = 0.4760 0.0416 0.6124 ( 729 PWs) bands (ev): -8.3641 -8.3641 4.5742 4.5742 4.7726 4.7726 5.1781 5.1781 10.1552 10.1552 10.4797 10.4797 10.9443 10.9443 11.0649 11.0649 11.7872 11.7872 19.5505 19.5505 20.7147 20.7147 k = 0.4712 0.0500 0.6124 ( 729 PWs) bands (ev): -8.3652 -8.3652 4.5515 4.5515 4.7712 4.7712 5.2103 5.2103 10.1204 10.1204 10.5069 10.5069 10.9486 10.9486 11.0682 11.0682 11.7856 11.7856 19.5274 19.5274 20.6904 20.6904 k = 0.4663 0.0583 0.6124 ( 727 PWs) bands (ev): -8.3664 -8.3664 4.5298 4.5298 4.7669 4.7669 5.2456 5.2456 10.0855 10.0855 10.5333 10.5333 10.9531 10.9531 11.0726 11.0726 11.7837 11.7837 19.5014 19.5014 20.6674 20.6674 k = 0.4615 0.0666 0.6124 ( 725 PWs) bands (ev): -8.3677 -8.3677 4.5092 4.5092 4.7606 4.7606 5.2827 5.2827 10.0507 10.0507 10.5589 10.5589 10.9576 10.9576 11.0780 11.0780 11.7814 11.7814 19.4726 19.4726 20.6456 20.6456 k = 0.4567 0.0749 0.6124 ( 725 PWs) bands (ev): -8.3691 -8.3691 4.4896 4.4896 4.7529 4.7529 5.3208 5.3208 10.0161 10.0161 10.5835 10.5835 10.9618 10.9618 11.0847 11.0847 11.7786 11.7786 19.4415 19.4415 20.6250 20.6250 k = 0.4519 0.0833 0.6124 ( 725 PWs) bands (ev): -8.3705 -8.3705 4.4711 4.4711 4.7443 4.7443 5.3593 5.3593 9.9820 9.9820 10.6072 10.6072 10.9656 10.9656 11.0927 11.0927 11.7755 11.7755 19.4084 19.4084 20.6057 20.6057 k = 0.4471 0.0916 0.6124 ( 722 PWs) bands (ev): -8.3720 -8.3720 4.4536 4.4536 4.7354 4.7354 5.3976 5.3976 9.9486 9.9486 10.6300 10.6300 10.9687 10.9687 11.1022 11.1022 11.7720 11.7720 19.3739 19.3739 20.5876 20.5876 k = 0.4423 0.0999 0.6124 ( 722 PWs) bands (ev): -8.3734 -8.3734 4.4373 4.4373 4.7263 4.7263 5.4352 5.4352 9.9162 9.9162 10.6517 10.6517 10.9711 10.9711 11.1129 11.1129 11.7680 11.7680 19.3384 19.3384 20.5707 20.5707 k = 0.4375 0.1083 0.6124 ( 726 PWs) bands (ev): -8.3749 -8.3749 4.4220 4.4220 4.7173 4.7173 5.4718 5.4718 9.8846 9.8846 10.6723 10.6723 10.9725 10.9725 11.1247 11.1247 11.7635 11.7635 19.3023 19.3023 20.5550 20.5550 k = 0.4327 0.1166 0.6124 ( 726 PWs) bands (ev): -8.3763 -8.3763 4.4078 4.4078 4.7085 4.7085 5.5069 5.5069 9.8546 9.8546 10.6919 10.6919 10.9733 10.9733 11.1375 11.1375 11.7588 11.7588 19.2663 19.2663 20.5404 20.5404 k = 0.4279 0.1249 0.6124 ( 726 PWs) bands (ev): -8.3777 -8.3777 4.3948 4.3948 4.7001 4.7001 5.5404 5.5404 9.8260 9.8260 10.7105 10.7105 10.9734 10.9734 11.1510 11.1510 11.7538 11.7538 19.2308 19.2308 20.5271 20.5271 k = 0.4231 0.1332 0.6124 ( 727 PWs) bands (ev): -8.3790 -8.3790 4.3828 4.3828 4.6922 4.6922 5.5718 5.5718 9.7991 9.7991 10.7280 10.7280 10.9728 10.9728 11.1648 11.1648 11.7485 11.7485 19.1964 19.1964 20.5150 20.5150 k = 0.4183 0.1416 0.6124 ( 727 PWs) bands (ev): -8.3802 -8.3802 4.3720 4.3720 4.6848 4.6848 5.6011 5.6011 9.7741 9.7741 10.7443 10.7443 10.9717 10.9717 11.1787 11.1787 11.7431 11.7431 19.1635 19.1635 20.5040 20.5040 k = 0.4135 0.1499 0.6124 ( 727 PWs) bands (ev): -8.3814 -8.3814 4.3623 4.3623 4.6781 4.6781 5.6280 5.6280 9.7512 9.7512 10.7594 10.7594 10.9701 10.9701 11.1924 11.1924 11.7377 11.7377 19.1326 19.1326 20.4942 20.4942 k = 0.4087 0.1582 0.6124 ( 725 PWs) bands (ev): -8.3824 -8.3824 4.3537 4.3537 4.6721 4.6721 5.6522 5.6522 9.7305 9.7305 10.7732 10.7732 10.9681 10.9681 11.2056 11.2056 11.7323 11.7323 19.1043 19.1043 20.4855 20.4855 k = 0.4038 0.1665 0.6124 ( 727 PWs) bands (ev): -8.3833 -8.3833 4.3463 4.3463 4.6667 4.6667 5.6736 5.6736 9.7122 9.7122 10.7857 10.7857 10.9659 10.9659 11.2178 11.2178 11.7272 11.7272 19.0789 19.0789 20.4780 20.4780 k = 0.3990 0.1749 0.6124 ( 725 PWs) bands (ev): -8.3841 -8.3841 4.3400 4.3400 4.6622 4.6622 5.6920 5.6920 9.6965 9.6965 10.7967 10.7967 10.9636 10.9636 11.2288 11.2288 11.7224 11.7224 19.0567 19.0567 20.4717 20.4717 k = 0.3942 0.1832 0.6124 ( 725 PWs) bands (ev): -8.3848 -8.3848 4.3349 4.3349 4.6584 4.6584 5.7072 5.7072 9.6834 9.6834 10.8060 10.8060 10.9613 10.9613 11.2384 11.2384 11.7182 11.7182 19.0381 19.0381 20.4666 20.4666 k = 0.3894 0.1915 0.6124 ( 728 PWs) bands (ev): -8.3853 -8.3853 4.3309 4.3309 4.6554 4.6554 5.7192 5.7192 9.6731 9.6731 10.8135 10.8135 10.9592 10.9592 11.2461 11.2461 11.7147 11.7147 19.0234 19.0234 20.4625 20.4625 k = 0.3846 0.1999 0.6124 ( 728 PWs) bands (ev): -8.3857 -8.3857 4.3280 4.3280 4.6533 4.6533 5.7278 5.7278 9.6657 9.6657 10.8191 10.8191 10.9575 10.9575 11.2518 11.2518 11.7121 11.7121 19.0127 19.0127 20.4597 20.4597 k = 0.3798 0.2082 0.6124 ( 724 PWs) bands (ev): -8.3859 -8.3859 4.3263 4.3263 4.6520 4.6520 5.7330 5.7330 9.6614 9.6614 10.8225 10.8225 10.9564 10.9564 11.2555 11.2555 11.7105 11.7105 19.0063 19.0063 20.4579 20.4579 k = 0.3750 0.2165 0.6124 ( 724 PWs) bands (ev): -8.3860 -8.3860 4.3257 4.3257 4.6516 4.6516 5.7347 5.7347 9.6599 9.6599 10.8237 10.8237 10.9560 10.9560 11.2567 11.2567 11.7100 11.7100 19.0041 19.0041 20.4574 20.4574 k = 0.3750 0.2165 0.6124 ( 724 PWs) bands (ev): -8.3860 -8.3860 4.3257 4.3257 4.6516 4.6516 5.7347 5.7347 9.6599 9.6599 10.8237 10.8237 10.9560 10.9560 11.2567 11.2567 11.7100 11.7100 19.0041 19.0041 20.4574 20.4574 k = 0.3702 0.2137 0.6045 ( 724 PWs) bands (ev): -8.3840 -8.3840 4.3526 4.3526 4.5811 4.5811 5.7110 5.7110 9.7169 9.7169 10.8121 10.8121 10.9501 10.9501 11.2596 11.2596 11.7700 11.7700 19.0968 19.0968 20.4723 20.4723 k = 0.3654 0.2110 0.5967 ( 724 PWs) bands (ev): -8.3825 -8.3825 4.3804 4.3804 4.5126 4.5126 5.6880 5.6880 9.7734 9.7734 10.8001 10.8001 10.9438 10.9438 11.2618 11.2618 11.8297 11.8297 19.1908 19.1908 20.4797 20.4797 k = 0.3606 0.2082 0.5888 ( 724 PWs) bands (ev): -8.3815 -8.3815 4.4091 4.4091 4.4462 4.4462 5.6658 5.6658 9.8292 9.8292 10.7875 10.7875 10.9371 10.9371 11.2633 11.2633 11.8888 11.8888 19.2862 19.2862 20.3576 20.3576 k = 0.3558 0.2054 0.5810 ( 726 PWs) bands (ev): -8.3810 -8.3810 4.3820 4.3820 4.4389 4.4389 5.6444 5.6444 9.8844 9.8844 10.7744 10.7744 10.9300 10.9300 11.2640 11.2640 11.9473 11.9473 19.3827 19.3827 20.2191 20.2192 k = 0.3510 0.2026 0.5731 ( 726 PWs) bands (ev): -8.3811 -8.3811 4.3204 4.3204 4.4695 4.4695 5.6240 5.6240 9.9386 9.9386 10.7608 10.7608 10.9225 10.9225 11.2640 11.2640 12.0048 12.0048 19.4801 19.4801 20.0801 20.0801 k = 0.3462 0.1999 0.5653 ( 726 PWs) bands (ev): -8.3817 -8.3817 4.2614 4.2614 4.5010 4.5010 5.6045 5.6045 9.9919 9.9919 10.7468 10.7468 10.9147 10.9147 11.2633 11.2633 12.0613 12.0613 19.5779 19.5779 19.9416 19.9416 k = 0.3413 0.1971 0.5574 ( 730 PWs) bands (ev): -8.3830 -8.3830 4.2051 4.2051 4.5334 4.5334 5.5862 5.5862 10.0439 10.0439 10.7324 10.7324 10.9064 10.9064 11.2618 11.2618 12.1163 12.1163 19.6715 19.6715 19.8082 19.8082 k = 0.3365 0.1943 0.5496 ( 730 PWs) bands (ev): -8.3850 -8.3850 4.1517 4.1517 4.5668 4.5668 5.5690 5.5690 10.0947 10.0947 10.7175 10.7175 10.8977 10.8977 11.2597 11.2597 12.1699 12.1699 19.6482 19.6482 19.7927 19.7927 k = 0.3317 0.1915 0.5417 ( 730 PWs) bands (ev): -8.3877 -8.3877 4.1013 4.1013 4.6010 4.6010 5.5529 5.5529 10.1442 10.1442 10.7022 10.7022 10.8886 10.8886 11.2569 11.2569 12.2219 12.2219 19.5144 19.5144 19.8889 19.8889 k = 0.3269 0.1887 0.5339 ( 726 PWs) bands (ev): -8.3912 -8.3912 4.0541 4.0541 4.6361 4.6361 5.5382 5.5382 10.1922 10.1922 10.6865 10.6865 10.8791 10.8791 11.2535 11.2535 12.2722 12.2722 19.3760 19.3760 19.9910 19.9910 k = 0.3221 0.1860 0.5260 ( 726 PWs) bands (ev): -8.3954 -8.3954 4.0100 4.0100 4.6720 4.6720 5.5247 5.5247 10.2384 10.2384 10.6704 10.6704 10.8691 10.8691 11.2495 11.2495 12.3203 12.3203 19.2372 19.2372 20.0948 20.0948 k = 0.3173 0.1832 0.5182 ( 722 PWs) bands (ev): -8.4005 -8.4005 3.9693 3.9693 4.7088 4.7088 5.5125 5.5125 10.2829 10.2829 10.6542 10.6542 10.8587 10.8587 11.2448 11.2448 12.3663 12.3663 19.0986 19.0986 20.2000 20.2000 k = 0.3125 0.1804 0.5103 ( 722 PWs) bands (ev): -8.4064 -8.4064 3.9320 3.9320 4.7464 4.7464 5.5017 5.5017 10.3253 10.3253 10.6373 10.6373 10.8478 10.8478 11.2396 11.2396 12.4099 12.4099 18.9603 18.9603 20.3064 20.3064 k = 0.3077 0.1776 0.5025 ( 728 PWs) bands (ev): -8.4132 -8.4132 3.8982 3.8982 4.7848 4.7848 5.4921 5.4921 10.3655 10.3655 10.6201 10.6201 10.8363 10.8363 11.2338 11.2338 12.4508 12.4508 18.8226 18.8226 20.4140 20.4140 k = 0.3029 0.1749 0.4946 ( 728 PWs) bands (ev): -8.4209 -8.4209 3.8679 3.8679 4.8240 4.8240 5.4841 5.4841 10.4035 10.4035 10.6026 10.6026 10.8245 10.8245 11.2275 11.2275 12.4892 12.4892 18.6854 18.6854 20.5228 20.5228 k = 0.2981 0.1721 0.4868 ( 728 PWs) bands (ev): -8.4295 -8.4295 3.8413 3.8413 4.8640 4.8640 5.4775 5.4775 10.4390 10.4390 10.5848 10.5848 10.8124 10.8124 11.2208 11.2208 12.5248 12.5248 18.5489 18.5489 20.6327 20.6327 k = 0.2933 0.1693 0.4789 ( 728 PWs) bands (ev): -8.4390 -8.4390 3.8185 3.8185 4.9048 4.9048 5.4725 5.4725 10.4719 10.4719 10.5667 10.5667 10.7999 10.7999 11.2136 11.2136 12.5574 12.5574 18.4132 18.4132 20.7436 20.7436 k = 0.2885 0.1665 0.4711 ( 728 PWs) bands (ev): -8.4495 -8.4495 3.7994 3.7994 4.9463 4.9463 5.4690 5.4690 10.5019 10.5019 10.5484 10.5484 10.7872 10.7872 11.2059 11.2059 12.5869 12.5869 18.2782 18.2782 20.8550 20.8550 k = 0.2837 0.1638 0.4632 ( 728 PWs) bands (ev): -8.4610 -8.4610 3.7841 3.7841 4.9885 4.9885 5.4670 5.4670 10.5280 10.5280 10.5307 10.5307 10.7743 10.7743 11.1979 11.1979 12.6132 12.6132 18.1441 18.1441 20.9638 20.9638 k = 0.2788 0.1610 0.4554 ( 728 PWs) bands (ev): -8.4733 -8.4733 3.7726 3.7726 5.0315 5.0315 5.4666 5.4666 10.5108 10.5108 10.5528 10.5528 10.7613 10.7613 11.1894 11.1894 12.6362 12.6362 18.0108 18.0108 21.0541 21.0541 k = 0.2740 0.1582 0.4475 ( 732 PWs) bands (ev): -8.4867 -8.4867 3.7650 3.7650 5.0751 5.0751 5.4678 5.4678 10.4916 10.4916 10.5729 10.5729 10.7486 10.7486 11.1806 11.1806 12.6557 12.6557 17.8782 17.8782 21.1174 21.1174 k = 0.2692 0.1554 0.4397 ( 732 PWs) bands (ev): -8.5009 -8.5009 3.7614 3.7614 5.1193 5.1193 5.4706 5.4706 10.4723 10.4723 10.5892 10.5892 10.7365 10.7365 11.1713 11.1713 12.6717 12.6717 17.7467 17.7467 21.1750 21.1750 k = 0.2644 0.1527 0.4318 ( 728 PWs) bands (ev): -8.5161 -8.5161 3.7616 3.7616 5.1642 5.1642 5.4751 5.4751 10.4528 10.4528 10.6012 10.6012 10.7256 10.7256 11.1616 11.1616 12.6843 12.6843 17.6160 17.6160 21.2333 21.2333 k = 0.2596 0.1499 0.4240 ( 728 PWs) bands (ev): -8.5322 -8.5322 3.7658 3.7658 5.2098 5.2098 5.4812 5.4812 10.4331 10.4331 10.6077 10.6077 10.7165 10.7165 11.1515 11.1515 12.6931 12.6931 17.4861 17.4861 21.2935 21.2935 k = 0.2548 0.1471 0.4161 ( 742 PWs) bands (ev): -8.5493 -8.5493 3.7738 3.7738 5.2558 5.2558 5.4886 5.4886 10.4131 10.4131 10.6081 10.6081 10.7094 10.7094 11.1408 11.1408 12.6980 12.6980 17.3571 17.3571 21.3558 21.3558 k = 0.2500 0.1443 0.4082 ( 742 PWs) bands (ev): -8.5672 -8.5672 3.7859 3.7859 5.3025 5.3025 5.4980 5.4980 10.3931 10.3931 10.6033 10.6033 10.7051 10.7051 11.1296 11.1296 12.6994 12.6994 17.2289 17.2289 21.4206 21.4206 k = 0.2452 0.1416 0.4004 ( 742 PWs) bands (ev): -8.5859 -8.5859 3.8018 3.8018 5.3497 5.3497 5.5090 5.5090 10.3730 10.3730 10.5938 10.5938 10.7024 10.7024 11.1178 11.1178 12.6970 12.6970 17.1015 17.1015 21.4880 21.4880 k = 0.2404 0.1388 0.3925 ( 738 PWs) bands (ev): -8.6055 -8.6055 3.8216 3.8216 5.3974 5.3974 5.5217 5.5217 10.3529 10.3529 10.5810 10.5810 10.7000 10.7000 11.1053 11.1053 12.6909 12.6909 16.9749 16.9749 21.5579 21.5579 k = 0.2356 0.1360 0.3847 ( 730 PWs) bands (ev): -8.6258 -8.6258 3.8454 3.8454 5.4456 5.4456 5.5361 5.5361 10.3328 10.3328 10.5658 10.5658 10.6972 10.6972 11.0922 11.0922 12.6811 12.6811 16.8490 16.8490 21.6304 21.6304 k = 0.2308 0.1332 0.3768 ( 730 PWs) bands (ev): -8.6469 -8.6469 3.8729 3.8729 5.4942 5.4942 5.5521 5.5521 10.3125 10.3125 10.5488 10.5488 10.6932 10.6932 11.0781 11.0781 12.6674 12.6674 16.7237 16.7237 21.7056 21.7056 k = 0.2260 0.1305 0.3690 ( 730 PWs) bands (ev): -8.6688 -8.6688 3.9042 3.9042 5.5429 5.5429 5.5700 5.5700 10.2922 10.2922 10.5305 10.5305 10.6878 10.6878 11.0631 11.0631 12.6500 12.6500 16.5991 16.5991 21.7834 21.7834 k = 0.2212 0.1277 0.3611 ( 730 PWs) bands (ev): -8.6912 -8.6912 3.9393 3.9393 5.5870 5.5870 5.5946 5.5946 10.2718 10.2718 10.5113 10.5113 10.6810 10.6810 11.0472 11.0472 12.6289 12.6289 16.4750 16.4750 21.8639 21.8639 k = 0.2163 0.1249 0.3533 ( 730 PWs) bands (ev): -8.7144 -8.7144 3.9781 3.9781 5.6096 5.6096 5.6427 5.6427 10.2515 10.2515 10.4914 10.4914 10.6726 10.6726 11.0303 11.0303 12.6042 12.6042 16.3514 16.3514 21.9471 21.9471 k = 0.2115 0.1221 0.3454 ( 730 PWs) bands (ev): -8.7381 -8.7381 4.0205 4.0205 5.6323 5.6323 5.6926 5.6926 10.2312 10.2312 10.4707 10.4707 10.6627 10.6627 11.0123 11.0123 12.5759 12.5759 16.2283 16.2283 22.0330 22.0330 k = 0.2067 0.1194 0.3376 ( 734 PWs) bands (ev): -8.7623 -8.7623 4.0665 4.0665 5.6566 5.6566 5.7427 5.7427 10.2107 10.2107 10.4495 10.4495 10.6512 10.6512 10.9934 10.9934 12.5441 12.5441 16.1055 16.1055 22.1216 22.1216 k = 0.2019 0.1166 0.3297 ( 734 PWs) bands (ev): -8.7870 -8.7870 4.1161 4.1161 5.6825 5.6825 5.7931 5.7931 10.1906 10.1906 10.4279 10.4279 10.6384 10.6384 10.9735 10.9735 12.5089 12.5089 15.9831 15.9831 22.2129 22.2129 k = 0.1971 0.1138 0.3219 ( 732 PWs) bands (ev): -8.8121 -8.8121 4.1690 4.1690 5.7100 5.7100 5.8438 5.8438 10.1705 10.1705 10.4060 10.4060 10.6243 10.6243 10.9527 10.9527 12.4705 12.4705 15.8610 15.8610 22.3070 22.3070 k = 0.1923 0.1110 0.3140 ( 732 PWs) bands (ev): -8.8376 -8.8376 4.2254 4.2254 5.7390 5.7390 5.8945 5.8945 10.1505 10.1505 10.3836 10.3836 10.6088 10.6088 10.9311 10.9311 12.4289 12.4289 15.7391 15.7391 22.4038 22.4038 k = 0.1875 0.1083 0.3062 ( 732 PWs) bands (ev): -8.8634 -8.8634 4.2850 4.2850 5.7697 5.7697 5.9453 5.9453 10.1307 10.1307 10.3609 10.3609 10.5920 10.5920 10.9087 10.9087 12.3842 12.3842 15.6173 15.6173 22.5033 22.5033 k = 0.1827 0.1055 0.2983 ( 732 PWs) bands (ev): -8.8894 -8.8894 4.3479 4.3479 5.8018 5.8018 5.9962 5.9962 10.1110 10.1110 10.3379 10.3379 10.5740 10.5740 10.8857 10.8857 12.3366 12.3366 15.4957 15.4957 22.6056 22.6056 k = 0.1779 0.1027 0.2905 ( 732 PWs) bands (ev): -8.9156 -8.9156 4.4138 4.4138 5.8354 5.8354 6.0470 6.0470 10.0915 10.0915 10.3147 10.3147 10.5548 10.5548 10.8621 10.8621 12.2862 12.2862 15.3742 15.3742 22.7105 22.7105 k = 0.1731 0.0999 0.2826 ( 732 PWs) bands (ev): -8.9420 -8.9420 4.4828 4.4828 5.8706 5.8706 6.0978 6.0978 10.0722 10.0722 10.2913 10.2913 10.5344 10.5344 10.8382 10.8382 12.2332 12.2332 15.2527 15.2527 22.8180 22.8180 k = 0.1683 0.0972 0.2748 ( 732 PWs) bands (ev): -8.9684 -8.9684 4.5547 4.5547 5.9071 5.9071 6.1484 6.1484 10.0531 10.0531 10.2678 10.2678 10.5129 10.5129 10.8140 10.8140 12.1776 12.1776 15.1313 15.1313 22.9282 22.9282 k = 0.1635 0.0944 0.2669 ( 732 PWs) bands (ev): -8.9949 -8.9949 4.6294 4.6294 5.9451 5.9451 6.1989 6.1989 10.0343 10.0343 10.2441 10.2441 10.4903 10.4903 10.7897 10.7897 12.1196 12.1196 15.0099 15.0099 23.0411 23.0411 k = 0.1587 0.0916 0.2591 ( 736 PWs) bands (ev): -9.0213 -9.0213 4.7068 4.7068 5.9844 5.9844 6.2491 6.2491 10.0157 10.0157 10.2203 10.2203 10.4664 10.4664 10.7655 10.7655 12.0594 12.0594 14.8885 14.8885 23.1565 23.1565 k = 0.1538 0.0888 0.2512 ( 740 PWs) bands (ev): -9.0477 -9.0477 4.7867 4.7867 6.0250 6.0250 6.2991 6.2991 9.9971 9.9971 10.1964 10.1964 10.4415 10.4415 10.7413 10.7413 11.9971 11.9971 14.7672 14.7672 23.2744 23.2744 k = 0.1490 0.0860 0.2434 ( 740 PWs) bands (ev): -9.0738 -9.0738 4.8691 4.8691 6.0669 6.0669 6.3487 6.3487 9.9792 9.9792 10.1726 10.1726 10.4157 10.4157 10.7174 10.7174 11.9330 11.9330 14.6459 14.6459 23.3948 23.3948 k = 0.1442 0.0833 0.2355 ( 748 PWs) bands (ev): -9.0998 -9.0998 4.9538 4.9538 6.1101 6.1101 6.3978 6.3978 9.9613 9.9613 10.1487 10.1487 10.3890 10.3890 10.6938 10.6938 11.8669 11.8669 14.5248 14.5248 23.5177 23.5177 k = 0.1394 0.0805 0.2277 ( 748 PWs) bands (ev): -9.1255 -9.1255 5.0408 5.0408 6.1544 6.1544 6.4465 6.4465 9.9440 9.9440 10.1249 10.1249 10.3614 10.3614 10.6706 10.6706 11.7995 11.7995 14.4038 14.4038 23.6429 23.6429 k = 0.1346 0.0777 0.2198 ( 737 PWs) bands (ev): -9.1508 -9.1508 5.1298 5.1298 6.2000 6.2000 6.4948 6.4948 9.9271 9.9271 10.1017 10.1017 10.3331 10.3331 10.6480 10.6480 11.7310 11.7310 14.2832 14.2832 23.7705 23.7705 k = 0.1298 0.0749 0.2120 ( 737 PWs) bands (ev): -9.1758 -9.1758 5.2206 5.2206 6.2464 6.2464 6.5423 6.5423 9.9105 9.9105 10.0782 10.0782 10.3042 10.3042 10.6257 10.6257 11.6610 11.6610 14.1628 14.1628 23.9004 23.9004 k = 0.1250 0.0722 0.2041 ( 737 PWs) bands (ev): -9.2003 -9.2003 5.3132 5.3132 6.2938 6.2938 6.5892 6.5892 9.8943 9.8943 10.0549 10.0549 10.2747 10.2747 10.6039 10.6039 11.5900 11.5900 14.0428 14.0428 24.0324 24.0324 k = 0.1202 0.0694 0.1963 ( 737 PWs) bands (ev): -9.2244 -9.2244 5.4074 5.4074 6.3420 6.3420 6.6354 6.6354 9.8785 9.8785 10.0318 10.0318 10.2449 10.2449 10.5825 10.5825 11.5182 11.5182 13.9234 13.9234 24.1665 24.1665 k = 0.1154 0.0666 0.1884 ( 737 PWs) bands (ev): -9.2479 -9.2479 5.5029 5.5029 6.3910 6.3910 6.6807 6.6807 9.8631 9.8631 10.0090 10.0090 10.2149 10.2149 10.5615 10.5615 11.4457 11.4457 13.8047 13.8047 24.3026 24.3026 k = 0.1106 0.0638 0.1806 ( 737 PWs) bands (ev): -9.2708 -9.2708 5.5996 5.5996 6.4406 6.4406 6.7251 6.7251 9.8480 9.8480 9.9865 9.9865 10.1849 10.1849 10.5410 10.5410 11.3727 11.3727 13.6869 13.6869 24.4405 24.4405 k = 0.1058 0.0611 0.1727 ( 729 PWs) bands (ev): -9.2932 -9.2932 5.6973 5.6973 6.4910 6.4910 6.7686 6.7686 9.8336 9.8336 9.9645 9.9645 10.1549 10.1549 10.5209 10.5209 11.2998 11.2998 13.5701 13.5701 24.5801 24.5801 k = 0.1010 0.0583 0.1649 ( 729 PWs) bands (ev): -9.3148 -9.3148 5.7957 5.7957 6.5416 6.5416 6.8110 6.8110 9.8195 9.8195 9.9428 9.9428 10.1249 10.1249 10.5011 10.5011 11.2267 11.2267 13.4546 13.4546 24.7213 24.7213 k = 0.0962 0.0555 0.1570 ( 729 PWs) bands (ev): -9.3357 -9.3357 5.8946 5.8946 6.5925 6.5925 6.8523 6.8523 9.8059 9.8059 9.9214 9.9214 10.0952 10.0952 10.4816 10.4816 11.1538 11.1538 13.3407 13.3407 24.8640 24.8640 k = 0.0913 0.0527 0.1492 ( 729 PWs) bands (ev): -9.3559 -9.3559 5.9937 5.9937 6.6435 6.6435 6.8924 6.8924 9.7928 9.7928 9.9006 9.9006 10.0659 10.0659 10.4623 10.4623 11.0813 11.0813 13.2285 13.2285 25.0078 25.0078 k = 0.0865 0.0500 0.1413 ( 727 PWs) bands (ev): -9.3753 -9.3753 6.0928 6.0928 6.6945 6.6945 6.9312 6.9312 9.7801 9.7801 9.8804 9.8804 10.0373 10.0373 10.4434 10.4434 11.0095 11.0095 13.1184 13.1184 25.1525 25.1525 k = 0.0817 0.0472 0.1335 ( 725 PWs) bands (ev): -9.3938 -9.3938 6.1915 6.1915 6.7453 6.7453 6.9686 6.9686 9.7680 9.7680 9.8604 9.8604 10.0091 10.0091 10.4248 10.4248 10.9388 10.9388 13.0107 13.0107 25.2980 25.2980 k = 0.0769 0.0444 0.1256 ( 725 PWs) bands (ev): -9.4115 -9.4115 6.2895 6.2895 6.7956 6.7956 7.0045 7.0045 9.7563 9.7563 9.8413 9.8413 9.9816 9.9816 10.4062 10.4062 10.8692 10.8692 12.9058 12.9058 25.4439 25.4439 k = 0.0721 0.0416 0.1178 ( 729 PWs) bands (ev): -9.4283 -9.4283 6.3863 6.3863 6.8453 6.8453 7.0389 7.0389 9.7450 9.7450 9.8229 9.8229 9.9546 9.9546 10.3878 10.3878 10.8010 10.8010 12.8040 12.8040 25.5898 25.5898 k = 0.0673 0.0389 0.1099 ( 729 PWs) bands (ev): -9.4441 -9.4441 6.4816 6.4816 6.8941 6.8941 7.0717 7.0717 9.7343 9.7343 9.8052 9.8052 9.9288 9.9288 10.3696 10.3696 10.7348 10.7348 12.7058 12.7058 25.7354 25.7354 k = 0.0625 0.0361 0.1021 ( 729 PWs) bands (ev): -9.4590 -9.4590 6.5749 6.5749 6.9417 6.9417 7.1027 7.1027 9.7240 9.7240 9.7882 9.7882 9.9040 9.9040 10.3517 10.3517 10.6707 10.6707 12.6117 12.6117 25.8801 25.8801 k = 0.0577 0.0333 0.0942 ( 729 PWs) bands (ev): -9.4729 -9.4729 6.6656 6.6656 6.9879 6.9879 7.1320 7.1320 9.7142 9.7142 9.7719 9.7719 9.8804 9.8804 10.3340 10.3340 10.6090 10.6090 12.5219 12.5219 26.0234 26.0234 k = 0.0529 0.0305 0.0864 ( 731 PWs) bands (ev): -9.4858 -9.4858 6.7532 6.7532 7.0324 7.0324 7.1594 7.1594 9.7049 9.7049 9.7563 9.7563 9.8579 9.8579 10.3167 10.3167 10.5502 10.5502 12.4371 12.4371 26.1646 26.1646 k = 0.0481 0.0278 0.0785 ( 731 PWs) bands (ev): -9.4976 -9.4976 6.8370 6.8370 7.0747 7.0747 7.1848 7.1848 9.6961 9.6961 9.7415 9.7415 9.8371 9.8371 10.2998 10.2998 10.4947 10.4947 12.3577 12.3577 26.3029 26.3029 k = 0.0433 0.0250 0.0707 ( 731 PWs) bands (ev): -9.5084 -9.5084 6.9163 6.9163 7.1146 7.1146 7.2083 7.2083 9.6878 9.6878 9.7273 9.7273 9.8179 9.8179 10.2836 10.2836 10.4427 10.4427 12.2842 12.2842 26.4372 26.4372 k = 0.0385 0.0222 0.0628 ( 727 PWs) bands (ev): -9.5181 -9.5181 6.9903 6.9903 7.1517 7.1517 7.2297 7.2297 9.6803 9.6803 9.7138 9.7138 9.8007 9.8007 10.2682 10.2682 10.3949 10.3949 12.2170 12.2170 26.5663 26.5663 k = 0.0337 0.0194 0.0550 ( 727 PWs) bands (ev): -9.5267 -9.5267 7.0581 7.0581 7.1857 7.1857 7.2491 7.2491 9.6732 9.6732 9.7009 9.7009 9.7854 9.7854 10.2537 10.2537 10.3514 10.3514 12.1567 12.1567 26.6888 26.6888 k = 0.0288 0.0167 0.0471 ( 727 PWs) bands (ev): -9.5341 -9.5341 7.1188 7.1188 7.2162 7.2162 7.2665 7.2665 9.6669 9.6669 9.6887 9.6887 9.7724 9.7724 10.2405 10.2405 10.3126 10.3126 12.1035 12.1035 26.8030 26.8030 k = 0.0240 0.0139 0.0393 ( 725 PWs) bands (ev): -9.5405 -9.5405 7.1710 7.1710 7.2432 7.2432 7.2819 7.2819 9.6614 9.6614 9.6776 9.6776 9.7616 9.7616 10.2288 10.2288 10.2791 10.2791 12.0578 12.0578 26.9065 26.9065 k = 0.0192 0.0111 0.0314 ( 725 PWs) bands (ev): -9.5457 -9.5457 7.2132 7.2132 7.2670 7.2670 7.2954 7.2954 9.6567 9.6567 9.6677 9.6677 9.7529 9.7529 10.2188 10.2188 10.2511 10.2511 12.0201 12.0201 26.9971 26.9971 k = 0.0144 0.0083 0.0236 ( 725 PWs) bands (ev): -9.5498 -9.5498 7.2439 7.2439 7.2881 7.2881 7.3066 7.3066 9.6530 9.6530 9.6595 9.6595 9.7463 9.7463 10.2107 10.2107 10.2289 10.2289 11.9904 11.9904 27.0719 27.0719 k = 0.0096 0.0056 0.0157 ( 725 PWs) bands (ev): -9.5527 -9.5527 7.2632 7.2632 7.3061 7.3061 7.3153 7.3153 9.6503 9.6503 9.6533 9.6533 9.7417 9.7417 10.2048 10.2048 10.2129 10.2129 11.9691 11.9691 27.1280 27.1280 k = 0.0048 0.0028 0.0079 ( 725 PWs) bands (ev): -9.5544 -9.5544 7.2733 7.2733 7.3183 7.3183 7.3208 7.3208 9.6486 9.6486 9.6494 9.6494 9.7390 9.7390 10.2012 10.2012 10.2032 10.2032 11.9563 11.9563 27.1629 27.1629 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -9.5550 -9.5550 7.2764 7.2764 7.3227 7.3227 7.3227 7.3227 9.6481 9.6481 9.6481 9.6481 9.7381 9.7381 10.2000 10.2000 10.2000 10.2000 11.9520 11.9520 27.1748 27.1748 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -9.5550 -9.5550 7.2764 7.2764 7.3227 7.3227 7.3227 7.3227 9.6481 9.6481 9.6481 9.6481 9.7381 9.7381 10.2000 10.2000 10.2000 10.2000 11.9520 11.9520 27.1748 27.1748 k = 0.0078 0.0045 0.0032 ( 725 PWs) bands (ev): -9.5544 -9.5544 7.2733 7.2733 7.3187 7.3187 7.3205 7.3205 9.6490 9.6490 9.6490 9.6490 9.7390 9.7390 10.2021 10.2021 10.2022 10.2022 11.9562 11.9562 27.1630 27.1630 k = 0.0156 0.0090 0.0064 ( 725 PWs) bands (ev): -9.5527 -9.5527 7.2637 7.2637 7.3072 7.3072 7.3140 7.3140 9.6517 9.6517 9.6518 9.6518 9.7416 9.7416 10.2085 10.2085 10.2091 10.2091 11.9689 11.9689 27.1283 27.1283 k = 0.0234 0.0135 0.0096 ( 725 PWs) bands (ev): -9.5498 -9.5498 7.2461 7.2461 7.2900 7.2900 7.3032 7.3032 9.6561 9.6561 9.6564 9.6564 9.7460 9.7460 10.2192 10.2192 10.2204 10.2204 11.9900 11.9900 27.0721 27.0721 k = 0.0312 0.0180 0.0128 ( 725 PWs) bands (ev): -9.5458 -9.5458 7.2186 7.2186 7.2696 7.2696 7.2882 7.2882 9.6622 9.6622 9.6626 9.6626 9.7520 9.7520 10.2341 10.2341 10.2361 10.2361 12.0191 12.0191 26.9965 26.9965 k = 0.0391 0.0226 0.0159 ( 725 PWs) bands (ev): -9.5406 -9.5406 7.1804 7.1804 7.2474 7.2474 7.2694 7.2694 9.6698 9.6698 9.6702 9.6702 9.7596 9.7596 10.2530 10.2530 10.2561 10.2561 12.0561 12.0561 26.9041 26.9041 k = 0.0469 0.0271 0.0191 ( 725 PWs) bands (ev): -9.5343 -9.5343 7.1324 7.1324 7.2232 7.2232 7.2468 7.2468 9.6788 9.6788 9.6790 9.6790 9.7686 9.7686 10.2760 10.2760 10.2803 10.2803 12.1006 12.1006 26.7971 26.7971 k = 0.0547 0.0316 0.0223 ( 731 PWs) bands (ev): -9.5269 -9.5269 7.0760 7.0760 7.1965 7.1965 7.2207 7.2207 9.6889 9.6889 9.6890 9.6890 9.7788 9.7788 10.3027 10.3027 10.3083 10.3083 12.1521 12.1521 26.6779 26.6779 k = 0.0625 0.0361 0.0255 ( 731 PWs) bands (ev): -9.5184 -9.5184 7.0123 7.0123 7.1672 7.1672 7.1915 7.1915 9.6998 9.6998 9.7004 9.7004 9.7903 9.7903 10.3333 10.3333 10.3401 10.3401 12.2104 12.2104 26.5484 26.5484 k = 0.0703 0.0406 0.0287 ( 731 PWs) bands (ev): -9.5088 -9.5088 6.9420 6.9420 7.1353 7.1353 7.1593 7.1593 9.7115 9.7115 9.7128 9.7128 9.8028 9.8028 10.3675 10.3675 10.3755 10.3755 12.2748 12.2748 26.4104 26.4104 k = 0.0781 0.0451 0.0319 ( 731 PWs) bands (ev): -9.4981 -9.4981 6.8661 6.8661 7.1009 7.1009 7.1244 7.1244 9.7240 9.7240 9.7261 9.7261 9.8162 9.8162 10.4049 10.4049 10.4142 10.4142 12.3450 12.3450 26.2653 26.2653 k = 0.0859 0.0496 0.0351 ( 731 PWs) bands (ev): -9.4864 -9.4864 6.7852 6.7852 7.0644 7.0644 7.0872 7.0872 9.7372 9.7372 9.7403 9.7403 9.8304 9.8304 10.4455 10.4455 10.4559 10.4559 12.4204 12.4204 26.1143 26.1143 k = 0.0938 0.0541 0.0383 ( 731 PWs) bands (ev): -9.4736 -9.4736 6.6999 6.6999 7.0258 7.0258 7.0479 7.0479 9.7511 9.7511 9.7553 9.7553 9.8454 9.8454 10.4889 10.4889 10.5004 10.5004 12.5006 12.5006 25.9585 25.9585 k = 0.1016 0.0586 0.0415 ( 728 PWs) bands (ev): -9.4597 -9.4597 6.6107 6.6107 6.9855 6.9855 7.0067 7.0067 9.7657 9.7657 9.7710 9.7710 9.8611 9.8611 10.5349 10.5349 10.5474 10.5474 12.5850 12.5850 25.7987 25.7987 k = 0.1094 0.0631 0.0447 ( 728 PWs) bands (ev): -9.4449 -9.4449 6.5182 6.5182 6.9436 6.9436 6.9640 6.9640 9.7808 9.7808 9.7874 9.7874 9.8771 9.8771 10.5833 10.5833 10.5966 10.5966 12.6733 12.6733 25.6357 25.6357 k = 0.1172 0.0677 0.0478 ( 728 PWs) bands (ev): -9.4292 -9.4292 6.4229 6.4229 6.9003 6.9003 6.9199 6.9199 9.7965 9.7965 9.8044 9.8044 9.8938 9.8938 10.6338 10.6338 10.6479 10.6479 12.7649 12.7649 25.4701 25.4701 k = 0.1250 0.0722 0.0510 ( 727 PWs) bands (ev): -9.4124 -9.4124 6.3252 6.3252 6.8559 6.8559 6.8747 6.8747 9.8129 9.8129 9.8221 9.8221 9.9109 9.9109 10.6863 10.6863 10.7010 10.7010 12.8594 12.8594 25.3026 25.3026 k = 0.1328 0.0767 0.0542 ( 727 PWs) bands (ev): -9.3948 -9.3948 6.2255 6.2255 6.8106 6.8106 6.8286 6.8286 9.8298 9.8298 9.8403 9.8403 9.9286 9.9286 10.7404 10.7404 10.7557 10.7557 12.9565 12.9565 25.1336 25.1336 k = 0.1406 0.0812 0.0574 ( 724 PWs) bands (ev): -9.3763 -9.3763 6.1241 6.1241 6.7645 6.7645 6.7817 6.7817 9.8475 9.8475 9.8593 9.8593 9.9468 9.9468 10.7959 10.7959 10.8118 10.8118 13.0558 13.0558 24.9636 24.9636 k = 0.1484 0.0857 0.0606 ( 724 PWs) bands (ev): -9.3569 -9.3569 6.0214 6.0214 6.7179 6.7179 6.7343 6.7343 9.8655 9.8655 9.8787 9.8787 9.9653 9.9653 10.8528 10.8528 10.8690 10.8690 13.1568 13.1568 24.7931 24.7931 k = 0.1562 0.0902 0.0638 ( 724 PWs) bands (ev): -9.3367 -9.3367 5.9177 5.9177 6.6708 6.6708 6.6865 6.6865 9.8841 9.8841 9.8986 9.8986 9.9844 9.9844 10.9106 10.9106 10.9272 10.9272 13.2592 13.2592 24.6223 24.6223 k = 0.1641 0.0947 0.0670 ( 724 PWs) bands (ev): -9.3157 -9.3157 5.8132 5.8132 6.6235 6.6235 6.6384 6.6384 9.9034 9.9034 9.9190 9.9190 10.0040 10.0040 10.9693 10.9693 10.9862 10.9862 13.3628 13.3628 24.4517 24.4517 k = 0.1719 0.0992 0.0702 ( 724 PWs) bands (ev): -9.2940 -9.2940 5.7082 5.7082 6.5760 6.5760 6.5903 6.5903 9.9232 9.9232 9.9400 9.9400 10.0241 10.0241 11.0287 11.0287 11.0457 11.0457 13.4672 13.4672 24.2815 24.2815 k = 0.1797 0.1037 0.0734 ( 724 PWs) bands (ev): -9.2716 -9.2716 5.6029 5.6029 6.5285 6.5285 6.5421 6.5421 9.9436 9.9436 9.9613 9.9613 10.0448 10.0448 11.0886 11.0886 11.1058 11.1058 13.5722 13.5722 24.1121 24.1121 k = 0.1875 0.1083 0.0765 ( 724 PWs) bands (ev): -9.2486 -9.2486 5.4976 5.4976 6.4811 6.4811 6.4941 6.4941 9.9645 9.9645 9.9830 9.9830 10.0660 10.0660 11.1489 11.1489 11.1662 11.1662 13.6773 13.6773 23.9438 23.9438 k = 0.1953 0.1128 0.0797 ( 730 PWs) bands (ev): -9.2249 -9.2249 5.3924 5.3924 6.4339 6.4339 6.4464 6.4464 9.9857 9.9857 10.0051 10.0051 10.0875 10.0875 11.2094 11.2094 11.2267 11.2267 13.7824 13.7824 23.7768 23.7768 k = 0.2031 0.1173 0.0829 ( 733 PWs) bands (ev): -9.2007 -9.2007 5.2876 5.2876 6.3870 6.3870 6.3989 6.3989 10.0076 10.0076 10.0275 10.0275 10.1097 10.1097 11.2699 11.2699 11.2873 11.2873 13.8871 13.8871 23.6114 23.6114 k = 0.2109 0.1218 0.0861 ( 733 PWs) bands (ev): -9.1759 -9.1759 5.1834 5.1834 6.3406 6.3406 6.3519 6.3519 10.0299 10.0299 10.0503 10.0503 10.1324 10.1324 11.3306 11.3306 11.3480 11.3480 13.9914 13.9914 23.4478 23.4478 k = 0.2188 0.1263 0.0893 ( 733 PWs) bands (ev): -9.1507 -9.1507 5.0799 5.0799 6.2947 6.2947 6.3055 6.3055 10.0527 10.0527 10.0733 10.0733 10.1556 10.1556 11.3910 11.3910 11.4084 11.4084 14.0948 14.0948 23.2864 23.2864 k = 0.2266 0.1308 0.0925 ( 733 PWs) bands (ev): -9.1251 -9.1251 4.9772 4.9772 6.2493 6.2493 6.2596 6.2596 10.0759 10.0759 10.0966 10.0966 10.1792 10.1792 11.4513 11.4513 11.4686 11.4686 14.1971 14.1971 23.1273 23.1273 k = 0.2344 0.1353 0.0957 ( 733 PWs) bands (ev): -9.0992 -9.0992 4.8756 4.8756 6.2046 6.2046 6.2145 6.2145 10.0995 10.0995 10.1201 10.1201 10.2033 10.2033 11.5111 11.5111 11.5283 11.5283 14.2982 14.2982 22.9708 22.9708 k = 0.2422 0.1398 0.0989 ( 733 PWs) bands (ev): -9.0729 -9.0729 4.7752 4.7752 6.1606 6.1606 6.1700 6.1700 10.1235 10.1235 10.1437 10.1437 10.2278 10.2278 11.5705 11.5705 11.5876 11.5876 14.3977 14.3977 22.8171 22.8171 k = 0.2500 0.1443 0.1021 ( 745 PWs) bands (ev): -9.0464 -9.0464 4.6761 4.6761 6.1173 6.1173 6.1262 6.1262 10.1475 10.1475 10.1671 10.1671 10.2527 10.2527 11.6291 11.6291 11.6461 11.6461 14.4954 14.4954 22.6665 22.6665 k = 0.2578 0.1488 0.1053 ( 745 PWs) bands (ev): -9.0197 -9.0197 4.5784 4.5784 6.0749 6.0749 6.0835 6.0835 10.1719 10.1719 10.1908 10.1908 10.2780 10.2780 11.6872 11.6872 11.7041 11.7041 14.5911 14.5911 22.5191 22.5191 k = 0.2656 0.1534 0.1084 ( 745 PWs) bands (ev): -8.9929 -8.9929 4.4824 4.4824 6.0334 6.0334 6.0417 6.0417 10.1966 10.1966 10.2146 10.2146 10.3037 10.3037 11.7446 11.7446 11.7613 11.7613 14.6846 14.6846 22.3753 22.3753 k = 0.2734 0.1579 0.1116 ( 739 PWs) bands (ev): -8.9660 -8.9660 4.3881 4.3881 5.9930 5.9930 6.0008 6.0008 10.2215 10.2215 10.2384 10.2384 10.3299 10.3299 11.8011 11.8011 11.8176 11.8176 14.7757 14.7757 22.2353 22.2353 k = 0.2812 0.1624 0.1148 ( 745 PWs) bands (ev): -8.9391 -8.9391 4.2957 4.2957 5.9535 5.9535 5.9610 5.9610 10.2462 10.2462 10.2618 10.2618 10.3562 10.3562 11.8565 11.8565 11.8729 11.8729 14.8641 14.8641 22.0992 22.0992 k = 0.2891 0.1669 0.1180 ( 745 PWs) bands (ev): -8.9124 -8.9124 4.2052 4.2052 5.9150 5.9150 5.9222 5.9222 10.2709 10.2709 10.2851 10.2851 10.3829 10.3829 11.9110 11.9110 11.9272 11.9272 14.9497 14.9497 21.9672 21.9672 k = 0.2969 0.1714 0.1212 ( 745 PWs) bands (ev): -8.8857 -8.8857 4.1168 4.1168 5.8776 5.8776 5.8845 5.8845 10.2956 10.2956 10.3083 10.3083 10.4098 10.4098 11.9644 11.9644 11.9804 11.9804 15.0322 15.0322 21.8397 21.8397 k = 0.3047 0.1759 0.1244 ( 748 PWs) bands (ev): -8.8593 -8.8593 4.0306 4.0306 5.8414 5.8414 5.8480 5.8480 10.3199 10.3199 10.3312 10.3312 10.4368 10.4368 12.0166 12.0166 12.0324 12.0324 15.1113 15.1113 21.7167 21.7167 k = 0.3125 0.1804 0.1276 ( 748 PWs) bands (ev): -8.8331 -8.8331 3.9468 3.9468 5.8063 5.8063 5.8126 5.8126 10.3441 10.3441 10.3538 10.3538 10.4641 10.4641 12.0675 12.0675 12.0831 12.0831 15.1871 15.1871 21.5985 21.5985 k = 0.3203 0.1849 0.1308 ( 748 PWs) bands (ev): -8.8073 -8.8073 3.8654 3.8654 5.7724 5.7724 5.7785 5.7785 10.3679 10.3679 10.3759 10.3759 10.4915 10.4915 12.1170 12.1170 12.1324 12.1324 15.2592 15.2592 21.4853 21.4853 k = 0.3281 0.1894 0.1340 ( 748 PWs) bands (ev): -8.7819 -8.7819 3.7866 3.7866 5.7398 5.7398 5.7456 5.7456 10.3913 10.3913 10.3977 10.3977 10.5190 10.5190 12.1651 12.1651 12.1803 12.1803 15.3276 15.3276 21.3772 21.3772 k = 0.3359 0.1940 0.1371 ( 751 PWs) bands (ev): -8.7570 -8.7570 3.7104 3.7104 5.7083 5.7083 5.7139 5.7139 10.4141 10.4141 10.4189 10.4189 10.5465 10.5465 12.2117 12.2117 12.2266 12.2266 15.3920 15.3920 21.2743 21.2743 k = 0.3438 0.1985 0.1403 ( 748 PWs) bands (ev): -8.7327 -8.7327 3.6369 3.6369 5.6782 5.6782 5.6836 5.6836 10.4365 10.4365 10.4397 10.4397 10.5740 10.5740 12.2567 12.2567 12.2714 12.2714 15.4525 15.4525 21.1769 21.1769 k = 0.3516 0.2030 0.1435 ( 748 PWs) bands (ev): -8.7090 -8.7090 3.5664 3.5664 5.6494 5.6494 5.6546 5.6546 10.4580 10.4580 10.4598 10.4598 10.6012 10.6012 12.3001 12.3001 12.3146 12.3146 15.5089 15.5089 21.0849 21.0849 k = 0.3594 0.2075 0.1467 ( 748 PWs) bands (ev): -8.6860 -8.6860 3.4988 3.4988 5.6220 5.6220 5.6270 5.6270 10.4789 10.4789 10.4792 10.4792 10.6282 10.6282 12.3417 12.3417 12.3560 12.3560 15.5611 15.5611 20.9985 20.9985 k = 0.3672 0.2120 0.1499 ( 748 PWs) bands (ev): -8.6638 -8.6638 3.4342 3.4342 5.5959 5.5959 5.6007 5.6007 10.4979 10.4979 10.4989 10.4989 10.6548 10.6548 12.3815 12.3815 12.3957 12.3957 15.6092 15.6092 20.9178 20.9178 k = 0.3750 0.2165 0.1531 ( 745 PWs) bands (ev): -8.6424 -8.6424 3.3728 3.3728 5.5712 5.5712 5.5759 5.5759 10.5158 10.5158 10.5181 10.5181 10.6812 10.6812 12.4195 12.4195 12.4335 12.4335 15.6532 15.6532 20.8427 20.8427 k = 0.3828 0.2210 0.1563 ( 745 PWs) bands (ev): -8.6219 -8.6219 3.3146 3.3146 5.5479 5.5479 5.5524 5.5524 10.5329 10.5329 10.5364 10.5364 10.7067 10.7067 12.4556 12.4556 12.4693 12.4693 15.6930 15.6930 20.7731 20.7731 k = 0.3906 0.2255 0.1595 ( 745 PWs) bands (ev): -8.6024 -8.6024 3.2597 3.2597 5.5261 5.5261 5.5304 5.5304 10.5492 10.5492 10.5538 10.5538 10.7314 10.7314 12.4896 12.4896 12.5032 12.5032 15.7289 15.7289 20.7092 20.7092 k = 0.3984 0.2300 0.1627 ( 739 PWs) bands (ev): -8.5839 -8.5839 3.2083 3.2083 5.5057 5.5057 5.5100 5.5100 10.5646 10.5646 10.5702 10.5702 10.7553 10.7553 12.5217 12.5217 12.5351 12.5351 15.7610 15.7610 20.6507 20.6507 k = 0.4062 0.2345 0.1659 ( 739 PWs) bands (ev): -8.5665 -8.5665 3.1603 3.1603 5.4868 5.4868 5.4909 5.4909 10.5790 10.5790 10.5855 10.5855 10.7780 10.7780 12.5516 12.5516 12.5648 12.5648 15.7893 15.7893 20.5976 20.5976 k = 0.4141 0.2391 0.1690 ( 739 PWs) bands (ev): -8.5503 -8.5503 3.1159 3.1159 5.4692 5.4692 5.4732 5.4732 10.5924 10.5924 10.5997 10.5997 10.7997 10.7997 12.5794 12.5794 12.5924 12.5924 15.8142 15.8142 20.5497 20.5497 k = 0.4219 0.2436 0.1722 ( 739 PWs) bands (ev): -8.5353 -8.5353 3.0751 3.0751 5.4532 5.4532 5.4571 5.4571 10.6048 10.6048 10.6128 10.6128 10.8199 10.8199 12.6049 12.6049 12.6178 12.6178 15.8357 15.8357 20.5068 20.5068 k = 0.4297 0.2481 0.1754 ( 736 PWs) bands (ev): -8.5215 -8.5215 3.0380 3.0380 5.4387 5.4387 5.4425 5.4425 10.6161 10.6161 10.6248 10.6248 10.8389 10.8389 12.6282 12.6282 12.6409 12.6409 15.8542 15.8542 20.4690 20.4690 k = 0.4375 0.2526 0.1786 ( 736 PWs) bands (ev): -8.5091 -8.5091 3.0046 3.0046 5.4257 5.4257 5.4294 5.4294 10.6264 10.6264 10.6356 10.6356 10.8562 10.8562 12.6491 12.6491 12.6617 12.6617 15.8699 15.8699 20.4357 20.4357 k = 0.4453 0.2571 0.1818 ( 736 PWs) bands (ev): -8.4980 -8.4980 2.9750 2.9750 5.4141 5.4141 5.4178 5.4178 10.6354 10.6354 10.6452 10.6452 10.8717 10.8717 12.6677 12.6677 12.6802 12.6802 15.8830 15.8830 20.4069 20.4069 k = 0.4531 0.2616 0.1850 ( 736 PWs) bands (ev): -8.4883 -8.4883 2.9492 2.9492 5.4041 5.4041 5.4077 5.4077 10.6434 10.6434 10.6536 10.6536 10.8855 10.8855 12.6838 12.6838 12.6963 12.6963 15.8937 15.8937 20.3825 20.3825 k = 0.4609 0.2661 0.1882 ( 736 PWs) bands (ev): -8.4801 -8.4801 2.9274 2.9274 5.3957 5.3957 5.3992 5.3992 10.6501 10.6501 10.6607 10.6607 10.8973 10.8973 12.6976 12.6976 12.7099 12.7099 15.9024 15.9024 20.3621 20.3621 k = 0.4688 0.2706 0.1914 ( 736 PWs) bands (ev): -8.4733 -8.4733 2.9094 2.9094 5.3887 5.3887 5.3922 5.3922 10.6557 10.6557 10.6665 10.6665 10.9071 10.9071 12.7089 12.7089 12.7211 12.7211 15.9092 15.9092 20.3457 20.3457 k = 0.4766 0.2751 0.1946 ( 736 PWs) bands (ev): -8.4679 -8.4679 2.8955 2.8955 5.3833 5.3833 5.3868 5.3868 10.6600 10.6600 10.6711 10.6711 10.9148 10.9148 12.7177 12.7177 12.7299 12.7299 15.9143 15.9143 20.3331 20.3331 k = 0.4844 0.2797 0.1977 ( 736 PWs) bands (ev): -8.4641 -8.4641 2.8855 2.8855 5.3795 5.3795 5.3829 5.3829 10.6631 10.6631 10.6744 10.6744 10.9204 10.9204 12.7240 12.7240 12.7362 12.7362 15.9178 15.9178 20.3242 20.3242 k = 0.4922 0.2842 0.2009 ( 736 PWs) bands (ev): -8.4618 -8.4618 2.8795 2.8795 5.3771 5.3771 5.3806 5.3806 10.6650 10.6650 10.6763 10.6763 10.9237 10.9237 12.7278 12.7278 12.7399 12.7399 15.9198 15.9198 20.3189 20.3189 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -8.4611 -8.4611 2.8775 2.8775 5.3766 5.3766 5.3800 5.3800 10.6660 10.6660 10.6774 10.6774 10.9251 10.9251 12.7293 12.7293 12.7415 12.7415 15.9205 15.9205 20.3173 20.3173 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -8.4611 -8.4611 2.8775 2.8775 5.3766 5.3766 5.3800 5.3800 10.6660 10.6660 10.6774 10.6774 10.9251 10.9251 12.7293 12.7293 12.7415 12.7415 15.9205 15.9205 20.3173 20.3173 k = 0.5028 0.2807 0.2087 ( 734 PWs) bands (ev): -8.4610 -8.4610 2.8785 2.8785 5.3761 5.3761 5.3797 5.3797 10.6653 10.6653 10.6767 10.6767 10.9246 10.9246 12.7273 12.7273 12.7396 12.7396 15.9253 15.9253 20.3165 20.3165 k = 0.5056 0.2726 0.2132 ( 734 PWs) bands (ev): -8.4607 -8.4607 2.8818 2.8818 5.3749 5.3749 5.3797 5.3797 10.6642 10.6642 10.6759 10.6759 10.9238 10.9238 12.7210 12.7210 12.7358 12.7358 15.9396 15.9396 20.3147 20.3147 k = 0.5083 0.2646 0.2177 ( 734 PWs) bands (ev): -8.4603 -8.4603 2.8871 2.8871 5.3722 5.3722 5.3804 5.3804 10.6620 10.6620 10.6749 10.6749 10.9224 10.9224 12.7090 12.7090 12.7311 12.7311 15.9633 15.9633 20.3116 20.3116 k = 0.5111 0.2566 0.2223 ( 734 PWs) bands (ev): -8.4597 -8.4597 2.8946 2.8946 5.3681 5.3681 5.3817 5.3817 10.6583 10.6583 10.6742 10.6742 10.9206 10.9206 12.6915 12.6915 12.7256 12.7256 15.9961 15.9961 20.3073 20.3073 k = 0.5139 0.2486 0.2268 ( 734 PWs) bands (ev): -8.4589 -8.4589 2.9042 2.9042 5.3627 5.3627 5.3835 5.3835 10.6529 10.6529 10.6738 10.6738 10.9183 10.9183 12.6689 12.6689 12.7192 12.7192 16.0376 16.0376 20.3017 20.3017 k = 0.5167 0.2406 0.2313 ( 734 PWs) bands (ev): -8.4579 -8.4579 2.9160 2.9160 5.3561 5.3561 5.3858 5.3858 10.6460 10.6460 10.6738 10.6738 10.9156 10.9156 12.6419 12.6419 12.7116 12.7116 16.0874 16.0874 20.2950 20.2950 k = 0.5194 0.2325 0.2359 ( 734 PWs) bands (ev): -8.4568 -8.4568 2.9298 2.9298 5.3482 5.3482 5.3885 5.3885 10.6376 10.6376 10.6740 10.6740 10.9126 10.9126 12.6109 12.6109 12.7028 12.7028 16.1451 16.1451 20.2871 20.2871 k = 0.5222 0.2245 0.2404 ( 734 PWs) bands (ev): -8.4555 -8.4555 2.9457 2.9457 5.3392 5.3392 5.3916 5.3916 10.6277 10.6277 10.6745 10.6745 10.9092 10.9092 12.5764 12.5764 12.6928 12.6928 16.2101 16.2101 20.2781 20.2781 k = 0.5250 0.2165 0.2449 ( 731 PWs) bands (ev): -8.4540 -8.4540 2.9637 2.9637 5.3290 5.3290 5.3952 5.3952 10.6165 10.6165 10.6751 10.6751 10.9057 10.9057 12.5389 12.5389 12.6815 12.6815 16.2820 16.2820 20.2680 20.2680 k = 0.5278 0.2085 0.2495 ( 732 PWs) bands (ev): -8.4524 -8.4524 2.9836 2.9836 5.3176 5.3176 5.3991 5.3991 10.6040 10.6040 10.6758 10.6758 10.9019 10.9019 12.4987 12.4987 12.6690 12.6690 16.3602 16.3602 20.2568 20.2568 k = 0.5306 0.2005 0.2540 ( 730 PWs) bands (ev): -8.4507 -8.4507 3.0056 3.0056 5.3050 5.3050 5.4034 5.4034 10.5902 10.5902 10.6768 10.6768 10.8981 10.8981 12.4562 12.4562 12.6554 12.6554 16.4442 16.4442 20.2446 20.2446 k = 0.5333 0.1925 0.2586 ( 732 PWs) bands (ev): -8.4488 -8.4488 3.0296 3.0296 5.2911 5.2911 5.4082 5.4082 10.5752 10.5752 10.6778 10.6778 10.8943 10.8943 12.4118 12.4118 12.6405 12.6405 16.5335 16.5335 20.2313 20.2313 k = 0.5361 0.1844 0.2631 ( 732 PWs) bands (ev): -8.4467 -8.4467 3.0555 3.0555 5.2762 5.2762 5.4133 5.4133 10.5590 10.5590 10.6790 10.6790 10.8904 10.8904 12.3659 12.3659 12.6245 12.6245 16.6278 16.6278 20.2172 20.2172 k = 0.5389 0.1764 0.2676 ( 734 PWs) bands (ev): -8.4446 -8.4446 3.0833 3.0833 5.2602 5.2602 5.4187 5.4187 10.5416 10.5416 10.6803 10.6803 10.8867 10.8867 12.3188 12.3188 12.6073 12.6073 16.7265 16.7265 20.2021 20.2021 k = 0.5417 0.1684 0.2722 ( 734 PWs) bands (ev): -8.4423 -8.4423 3.1129 3.1129 5.2431 5.2431 5.4245 5.4245 10.5232 10.5232 10.6818 10.6818 10.8831 10.8831 12.2708 12.2708 12.5891 12.5891 16.8292 16.8292 20.1862 20.1862 k = 0.5444 0.1604 0.2767 ( 734 PWs) bands (ev): -8.4399 -8.4399 3.1444 3.1444 5.2249 5.2249 5.4307 5.4307 10.5037 10.5037 10.6835 10.6835 10.8797 10.8797 12.2222 12.2222 12.5698 12.5698 16.9357 16.9357 20.1694 20.1694 k = 0.5472 0.1524 0.2812 ( 736 PWs) bands (ev): -8.4375 -8.4375 3.1776 3.1776 5.2057 5.2057 5.4373 5.4373 10.4832 10.4832 10.6853 10.6853 10.8766 10.8766 12.1730 12.1730 12.5495 12.5495 17.0453 17.0453 20.1520 20.1520 k = 0.5500 0.1443 0.2858 ( 732 PWs) bands (ev): -8.4349 -8.4349 3.2125 3.2125 5.1855 5.1855 5.4443 5.4443 10.4618 10.4618 10.6874 10.6874 10.8739 10.8739 12.1237 12.1237 12.5283 12.5283 17.1580 17.1580 20.1338 20.1338 k = 0.5528 0.1363 0.2903 ( 734 PWs) bands (ev): -8.4322 -8.4322 3.2491 3.2491 5.1642 5.1642 5.4515 5.4515 10.4394 10.4394 10.6896 10.6896 10.8715 10.8715 12.0744 12.0744 12.5061 12.5061 17.2732 17.2732 20.1150 20.1150 k = 0.5556 0.1283 0.2948 ( 730 PWs) bands (ev): -8.4295 -8.4295 3.2874 3.2874 5.1421 5.1421 5.4591 5.4591 10.4164 10.4164 10.6920 10.6920 10.8696 10.8696 12.0254 12.0254 12.4829 12.4829 17.3906 17.3906 20.0957 20.0957 k = 0.5583 0.1203 0.2994 ( 730 PWs) bands (ev): -8.4267 -8.4267 3.3271 3.3271 5.1189 5.1189 5.4670 5.4670 10.3924 10.3924 10.6947 10.6947 10.8681 10.8681 11.9766 11.9766 12.4589 12.4589 17.5100 17.5100 20.0759 20.0759 k = 0.5611 0.1123 0.3039 ( 726 PWs) bands (ev): -8.4239 -8.4239 3.3684 3.3684 5.0949 5.0949 5.4752 5.4752 10.3677 10.3677 10.6977 10.6977 10.8671 10.8671 11.9284 11.9284 12.4341 12.4341 17.6310 17.6310 20.0557 20.0557 k = 0.5639 0.1042 0.3085 ( 726 PWs) bands (ev): -8.4211 -8.4211 3.4111 3.4111 5.0700 5.0700 5.4837 5.4837 10.3422 10.3422 10.7008 10.7008 10.8667 10.8667 11.8809 11.8809 12.4084 12.4084 17.7532 17.7532 20.0352 20.0352 k = 0.5667 0.0962 0.3130 ( 726 PWs) bands (ev): -8.4182 -8.4182 3.4551 3.4551 5.0443 5.0443 5.4925 5.4925 10.3160 10.3160 10.7042 10.7042 10.8668 10.8668 11.8341 11.8341 12.3820 12.3820 17.8763 17.8763 20.0144 20.0144 k = 0.5694 0.0882 0.3175 ( 725 PWs) bands (ev): -8.4154 -8.4154 3.5004 3.5004 5.0179 5.0179 5.5016 5.5016 10.2891 10.2891 10.7079 10.7079 10.8674 10.8674 11.7883 11.7883 12.3548 12.3548 17.9999 17.9999 19.9936 19.9936 k = 0.5722 0.0802 0.3221 ( 727 PWs) bands (ev): -8.4126 -8.4126 3.5469 3.5469 4.9907 4.9907 5.5109 5.5109 10.2615 10.2615 10.7117 10.7117 10.8685 10.8685 11.7436 11.7436 12.3269 12.3269 18.1236 18.1236 19.9729 19.9729 k = 0.5750 0.0722 0.3266 ( 729 PWs) bands (ev): -8.4098 -8.4098 3.5945 3.5945 4.9630 4.9630 5.5205 5.5205 10.2333 10.2333 10.7158 10.7158 10.8703 10.8703 11.7000 11.7000 12.2983 12.2983 18.2469 18.2469 19.9525 19.9525 k = 0.5778 0.0642 0.3311 ( 731 PWs) bands (ev): -8.4070 -8.4070 3.6432 3.6432 4.9346 4.9346 5.5304 5.5304 10.2046 10.2046 10.7201 10.7201 10.8727 10.8727 11.6577 11.6577 12.2691 12.2691 18.3693 18.3693 19.9327 19.9327 k = 0.5806 0.0561 0.3357 ( 727 PWs) bands (ev): -8.4043 -8.4043 3.6928 3.6928 4.9058 4.9058 5.5407 5.5407 10.1753 10.1753 10.7249 10.7249 10.8757 10.8757 11.6170 11.6170 12.2394 12.2394 18.4901 18.4901 19.9140 19.9140 k = 0.5833 0.0481 0.3402 ( 723 PWs) bands (ev): -8.4017 -8.4017 3.7433 3.7433 4.8766 4.8766 5.5511 5.5511 10.1455 10.1455 10.7299 10.7299 10.8793 10.8793 11.5779 11.5779 12.2092 12.2092 18.6083 18.6083 19.8969 19.8969 k = 0.5861 0.0401 0.3447 ( 723 PWs) bands (ev): -8.3992 -8.3992 3.7945 3.7945 4.8470 4.8470 5.5617 5.5617 10.1152 10.1152 10.7351 10.7351 10.8834 10.8834 11.5404 11.5404 12.1783 12.1783 18.7228 18.7228 19.8823 19.8823 k = 0.5889 0.0321 0.3493 ( 723 PWs) bands (ev): -8.3968 -8.3968 3.8463 3.8463 4.8171 4.8171 5.5726 5.5726 10.0844 10.0844 10.7405 10.7405 10.8879 10.8879 11.5048 11.5048 12.1470 12.1470 18.8319 18.8319 19.8716 19.8716 k = 0.5917 0.0241 0.3538 ( 722 PWs) bands (ev): -8.3946 -8.3946 3.8986 3.8986 4.7872 4.7872 5.5838 5.5838 10.0532 10.0532 10.7461 10.7461 10.8929 10.8929 11.4712 11.4712 12.1152 12.1152 18.9333 18.9333 19.8665 19.8665 k = 0.5944 0.0160 0.3584 ( 724 PWs) bands (ev): -8.3925 -8.3925 3.9512 3.9512 4.7572 4.7572 5.5951 5.5951 10.0216 10.0216 10.7519 10.7519 10.8982 10.8982 11.4394 11.4394 12.0830 12.0830 19.0242 19.0242 19.8699 19.8699 k = 0.5972 0.0080 0.3629 ( 723 PWs) bands (ev): -8.3906 -8.3906 4.0040 4.0040 4.7275 4.7275 5.6067 5.6067 9.9897 9.9897 10.7579 10.7579 10.9039 10.9039 11.4100 11.4100 12.0504 12.0504 19.1007 19.1007 19.8848 19.8848 k = 0.6000-0.0000 0.3674 ( 725 PWs) bands (ev): -8.3889 -8.3889 4.0565 4.0565 4.6982 4.6982 5.6185 5.6185 9.9574 9.9574 10.7641 10.7641 10.9098 10.9098 11.3829 11.3829 12.0174 12.0174 19.1592 19.1592 19.9146 19.9146 k = 0.6028-0.0080 0.3720 ( 725 PWs) bands (ev): -8.3874 -8.3874 4.1086 4.1086 4.6698 4.6698 5.6305 5.6305 9.9249 9.9249 10.7705 10.7705 10.9158 10.9158 11.3581 11.3581 11.9841 11.9841 19.1974 19.1974 19.9610 19.9610 k = 0.6056-0.0160 0.3765 ( 725 PWs) bands (ev): -8.3862 -8.3862 4.1596 4.1596 4.6427 4.6427 5.6428 5.6428 9.8921 9.8921 10.7770 10.7770 10.9218 10.9218 11.3359 11.3359 11.9505 11.9505 19.2155 19.2155 20.0234 20.0234 k = 0.6083-0.0241 0.3810 ( 723 PWs) bands (ev): -8.3852 -8.3852 4.2086 4.2086 4.6179 4.6179 5.6553 5.6553 9.8592 9.8592 10.7836 10.7836 10.9277 10.9277 11.3164 11.3164 11.9167 11.9167 19.2159 19.2159 20.0986 20.0986 k = 0.6111-0.0321 0.3856 ( 723 PWs) bands (ev): -8.3845 -8.3845 4.2541 4.2541 4.5968 4.5968 5.6680 5.6680 9.8261 9.8261 10.7903 10.7903 10.9334 10.9334 11.2995 11.2995 11.8826 11.8826 19.2019 19.2019 20.1822 20.1822 k = 0.6139-0.0401 0.3901 ( 725 PWs) bands (ev): -8.3841 -8.3841 4.2934 4.2934 4.5822 4.5822 5.6809 5.6809 9.7928 9.7928 10.7970 10.7970 10.9388 10.9388 11.2854 11.2854 11.8484 11.8484 19.1767 19.1767 20.2693 20.2693 k = 0.6167-0.0481 0.3946 ( 725 PWs) bands (ev): -8.3840 -8.3840 4.3224 4.3224 4.5782 4.5782 5.6940 5.6940 9.7595 9.7595 10.8037 10.8037 10.9438 10.9438 11.2740 11.2740 11.8139 11.8139 19.1427 19.1427 20.3530 20.3530 k = 0.6194-0.0561 0.3992 ( 725 PWs) bands (ev): -8.3843 -8.3843 4.3371 4.3371 4.5888 4.5888 5.7074 5.7074 9.7262 9.7262 10.8104 10.8104 10.9483 10.9483 11.2655 11.2655 11.7794 11.7794 19.1018 19.1018 20.4211 20.4211 k = 0.6222-0.0642 0.4037 ( 724 PWs) bands (ev): -8.3849 -8.3849 4.3369 4.3369 4.6145 4.6145 5.7209 5.7209 9.6930 9.6930 10.8171 10.8171 10.9524 10.9524 11.2598 11.2598 11.7447 11.7447 19.0552 19.0552 20.4558 20.4558 k = 0.6250-0.0722 0.4082 ( 724 PWs) bands (ev): -8.3860 -8.3860 4.3257 4.3257 4.6516 4.6516 5.7347 5.7347 9.6599 9.6599 10.8237 10.8237 10.9560 10.9560 11.2567 11.2567 11.7100 11.7100 19.0041 19.0041 20.4574 20.4574 k = 0.6250-0.0722 0.4082 ( 724 PWs) bands (ev): -8.3860 -8.3860 4.3257 4.3257 4.6516 4.6516 5.7347 5.7347 9.6599 9.6599 10.8237 10.8237 10.9560 10.9560 11.2567 11.2567 11.7100 11.7100 19.0041 19.0041 20.4574 20.4574 k = 0.6202-0.0694 0.4161 ( 724 PWs) bands (ev): -8.3859 -8.3859 4.3263 4.3263 4.6520 4.6520 5.7330 5.7330 9.6613 9.6613 10.8225 10.8225 10.9564 10.9564 11.2555 11.2555 11.7105 11.7105 19.0063 19.0063 20.4579 20.4579 k = 0.6154-0.0666 0.4240 ( 728 PWs) bands (ev): -8.3857 -8.3857 4.3280 4.3280 4.6533 4.6533 5.7278 5.7278 9.6657 9.6657 10.8191 10.8191 10.9575 10.9575 11.2518 11.2518 11.7121 11.7121 19.0127 19.0127 20.4597 20.4597 k = 0.6106-0.0638 0.4318 ( 728 PWs) bands (ev): -8.3853 -8.3853 4.3309 4.3309 4.6554 4.6554 5.7192 5.7192 9.6731 9.6731 10.8135 10.8135 10.9592 10.9592 11.2461 11.2461 11.7147 11.7147 19.0234 19.0234 20.4625 20.4625 k = 0.6058-0.0611 0.4397 ( 725 PWs) bands (ev): -8.3848 -8.3848 4.3349 4.3349 4.6584 4.6584 5.7072 5.7072 9.6834 9.6834 10.8060 10.8060 10.9613 10.9613 11.2384 11.2384 11.7182 11.7182 19.0381 19.0381 20.4666 20.4666 k = 0.6010-0.0583 0.4475 ( 725 PWs) bands (ev): -8.3841 -8.3841 4.3400 4.3400 4.6622 4.6622 5.6920 5.6920 9.6965 9.6965 10.7967 10.7967 10.9636 10.9636 11.2288 11.2288 11.7224 11.7224 19.0567 19.0567 20.4717 20.4717 k = 0.5962-0.0555 0.4554 ( 727 PWs) bands (ev): -8.3833 -8.3833 4.3463 4.3463 4.6667 4.6667 5.6736 5.6736 9.7122 9.7122 10.7857 10.7857 10.9659 10.9659 11.2178 11.2178 11.7272 11.7272 19.0789 19.0789 20.4780 20.4780 k = 0.5913-0.0527 0.4632 ( 725 PWs) bands (ev): -8.3824 -8.3824 4.3537 4.3537 4.6721 4.6721 5.6522 5.6522 9.7305 9.7305 10.7732 10.7732 10.9681 10.9681 11.2056 11.2056 11.7323 11.7323 19.1043 19.1043 20.4855 20.4855 k = 0.5865-0.0500 0.4711 ( 727 PWs) bands (ev): -8.3814 -8.3814 4.3623 4.3623 4.6781 4.6781 5.6280 5.6280 9.7512 9.7512 10.7594 10.7594 10.9700 10.9700 11.1924 11.1924 11.7377 11.7377 19.1326 19.1326 20.4942 20.4942 k = 0.5817-0.0472 0.4789 ( 727 PWs) bands (ev): -8.3802 -8.3802 4.3720 4.3720 4.6848 4.6848 5.6011 5.6011 9.7741 9.7741 10.7443 10.7443 10.9717 10.9717 11.1787 11.1787 11.7431 11.7431 19.1635 19.1635 20.5040 20.5040 k = 0.5769-0.0444 0.4868 ( 727 PWs) bands (ev): -8.3790 -8.3790 4.3828 4.3828 4.6922 4.6922 5.5718 5.5718 9.7991 9.7991 10.7280 10.7280 10.9728 10.9728 11.1648 11.1648 11.7485 11.7485 19.1964 19.1964 20.5150 20.5150 k = 0.5721-0.0416 0.4946 ( 726 PWs) bands (ev): -8.3777 -8.3777 4.3948 4.3948 4.7001 4.7001 5.5404 5.5404 9.8260 9.8260 10.7105 10.7105 10.9734 10.9734 11.1510 11.1510 11.7538 11.7538 19.2308 19.2308 20.5271 20.5271 k = 0.5673-0.0389 0.5025 ( 726 PWs) bands (ev): -8.3763 -8.3763 4.4078 4.4078 4.7085 4.7085 5.5069 5.5069 9.8546 9.8546 10.6919 10.6919 10.9733 10.9733 11.1375 11.1375 11.7588 11.7588 19.2663 19.2663 20.5404 20.5404 k = 0.5625-0.0361 0.5103 ( 726 PWs) bands (ev): -8.3749 -8.3749 4.4220 4.4220 4.7173 4.7173 5.4718 5.4718 9.8846 9.8846 10.6723 10.6723 10.9725 10.9725 11.1247 11.1247 11.7635 11.7635 19.3023 19.3023 20.5550 20.5550 k = 0.5577-0.0333 0.5182 ( 722 PWs) bands (ev): -8.3734 -8.3734 4.4373 4.4373 4.7263 4.7263 5.4352 5.4352 9.9162 9.9162 10.6517 10.6517 10.9711 10.9711 11.1129 11.1129 11.7680 11.7680 19.3384 19.3384 20.5707 20.5707 k = 0.5529-0.0305 0.5260 ( 722 PWs) bands (ev): -8.3720 -8.3720 4.4536 4.4536 4.7354 4.7354 5.3976 5.3976 9.9486 9.9486 10.6300 10.6300 10.9687 10.9687 11.1022 11.1022 11.7720 11.7720 19.3739 19.3739 20.5876 20.5876 k = 0.5481-0.0278 0.5339 ( 725 PWs) bands (ev): -8.3705 -8.3705 4.4711 4.4711 4.7443 4.7443 5.3593 5.3593 9.9820 9.9820 10.6072 10.6072 10.9656 10.9656 11.0927 11.0927 11.7755 11.7755 19.4084 19.4084 20.6057 20.6057 k = 0.5433-0.0250 0.5417 ( 725 PWs) bands (ev): -8.3691 -8.3691 4.4896 4.4896 4.7529 4.7529 5.3208 5.3208 10.0161 10.0161 10.5835 10.5835 10.9618 10.9618 11.0847 11.0847 11.7786 11.7786 19.4415 19.4415 20.6250 20.6250 k = 0.5385-0.0222 0.5496 ( 725 PWs) bands (ev): -8.3677 -8.3677 4.5092 4.5092 4.7606 4.7606 5.2827 5.2827 10.0507 10.0507 10.5589 10.5589 10.9576 10.9576 11.0780 11.0780 11.7814 11.7814 19.4726 19.4726 20.6456 20.6456 k = 0.5337-0.0194 0.5574 ( 727 PWs) bands (ev): -8.3664 -8.3664 4.5298 4.5298 4.7669 4.7669 5.2456 5.2456 10.0855 10.0855 10.5333 10.5333 10.9531 10.9531 11.0726 11.0726 11.7837 11.7837 19.5014 19.5014 20.6674 20.6674 k = 0.5288-0.0167 0.5653 ( 729 PWs) bands (ev): -8.3652 -8.3652 4.5515 4.5515 4.7713 4.7713 5.2103 5.2103 10.1204 10.1204 10.5069 10.5069 10.9486 10.9486 11.0682 11.0682 11.7856 11.7856 19.5274 19.5274 20.6904 20.6904 k = 0.5240-0.0139 0.5731 ( 729 PWs) bands (ev): -8.3641 -8.3641 4.5742 4.5742 4.7727 4.7727 5.1781 5.1781 10.1552 10.1552 10.4797 10.4797 10.9443 10.9443 11.0649 11.0649 11.7872 11.7872 19.5505 19.5505 20.7147 20.7147 k = 0.5192-0.0111 0.5810 ( 729 PWs) bands (ev): -8.3632 -8.3632 4.5979 4.5979 4.7700 4.7700 5.1500 5.1500 10.1896 10.1896 10.4517 10.4517 10.9406 10.9406 11.0624 11.0624 11.7884 11.7884 19.5701 19.5701 20.7402 20.7402 k = 0.5144-0.0083 0.5888 ( 729 PWs) bands (ev): -8.3624 -8.3624 4.6227 4.6227 4.7623 4.7623 5.1274 5.1274 10.2233 10.2233 10.4232 10.4232 10.9375 10.9375 11.0606 11.0606 11.7894 11.7894 19.5861 19.5861 20.7669 20.7669 k = 0.5096-0.0056 0.5967 ( 724 PWs) bands (ev): -8.3618 -8.3618 4.6483 4.6483 4.7487 4.7487 5.1112 5.1112 10.2560 10.2560 10.3947 10.3947 10.9354 10.9354 11.0595 11.0595 11.7900 11.7900 19.5981 19.5981 20.7946 20.7946 k = 0.5048-0.0028 0.6045 ( 724 PWs) bands (ev): -8.3614 -8.3614 4.6749 4.6749 4.7290 4.7290 5.1018 5.1018 10.2852 10.2852 10.3679 10.3679 10.9340 10.9340 11.0588 11.0588 11.7904 11.7904 19.6055 19.6055 20.8229 20.8229 k = 0.5000-0.0000 0.6124 ( 724 PWs) bands (ev): -8.3613 -8.3613 4.6981 4.6981 4.7079 4.7079 5.0988 5.0988 10.3009 10.3009 10.3530 10.3530 10.9335 10.9335 11.0586 11.0586 11.7905 11.7905 19.6081 19.6081 20.8433 20.8438 k = 0.5000-0.0000 0.6124 ( 724 PWs) bands (ev): -8.3613 -8.3613 4.6981 4.6981 4.7079 4.7079 5.0988 5.0988 10.3009 10.3009 10.3530 10.3530 10.9335 10.9335 11.0586 11.0586 11.7905 11.7905 19.6081 19.6081 20.8433 20.8434 k = 0.5000 0.0056 0.6045 ( 724 PWs) bands (ev): -8.3614 -8.3614 4.6949 4.6949 4.7063 4.7063 5.1027 5.1027 10.3010 10.3010 10.3530 10.3530 10.9345 10.9345 11.0591 11.0591 11.7915 11.7915 19.6088 19.6088 20.8394 20.8394 k = 0.5000 0.0111 0.5967 ( 724 PWs) bands (ev): -8.3617 -8.3617 4.6810 4.6810 4.7064 4.7064 5.1137 5.1137 10.3012 10.3012 10.3531 10.3531 10.9372 10.9372 11.0606 11.0606 11.7947 11.7947 19.6110 19.6110 20.8211 20.8211 k = 0.5000 0.0167 0.5888 ( 726 PWs) bands (ev): -8.3621 -8.3621 4.6573 4.6573 4.7090 4.7090 5.1302 5.1302 10.3014 10.3014 10.3534 10.3534 10.9415 10.9415 11.0631 11.0631 11.8000 11.8000 19.6145 19.6145 20.7851 20.7851 k = 0.5000 0.0222 0.5810 ( 730 PWs) bands (ev): -8.3628 -8.3628 4.6264 4.6264 4.7130 4.7130 5.1506 5.1506 10.3017 10.3017 10.3539 10.3539 10.9469 10.9469 11.0671 11.0671 11.8074 11.8074 19.6193 19.6193 20.7340 20.7340 k = 0.5000 0.0278 0.5731 ( 730 PWs) bands (ev): -8.3636 -8.3636 4.5902 4.5902 4.7184 4.7184 5.1733 5.1733 10.3020 10.3020 10.3550 10.3550 10.9532 10.9532 11.0730 11.0730 11.8169 11.8169 19.6255 19.6255 20.6700 20.6700 k = 0.5000 0.0333 0.5653 ( 734 PWs) bands (ev): -8.3646 -8.3646 4.5500 4.5500 4.7250 4.7250 5.1970 5.1970 10.3023 10.3023 10.3566 10.3566 10.9594 10.9594 11.0811 11.0811 11.8283 11.8283 19.6331 19.6331 20.5947 20.5947 k = 0.5000 0.0389 0.5574 ( 732 PWs) bands (ev): -8.3658 -8.3658 4.5067 4.5067 4.7328 4.7328 5.2210 5.2210 10.3026 10.3026 10.3590 10.3590 10.9653 10.9653 11.0921 11.0921 11.8417 11.8417 19.6419 19.6419 20.5094 20.5094 k = 0.5000 0.0444 0.5496 ( 732 PWs) bands (ev): -8.3671 -8.3671 4.4609 4.4609 4.7418 4.7418 5.2446 5.2446 10.3029 10.3029 10.3624 10.3624 10.9700 10.9700 11.1062 11.1062 11.8570 11.8570 19.6519 19.6519 20.4156 20.4156 k = 0.5000 0.0500 0.5417 ( 730 PWs) bands (ev): -8.3686 -8.3686 4.4133 4.4133 4.7518 4.7518 5.2675 5.2675 10.3032 10.3032 10.3667 10.3667 10.9735 10.9735 11.1236 11.1236 11.8740 11.8740 19.6632 19.6632 20.3144 20.3144 k = 0.5000 0.0555 0.5339 ( 730 PWs) bands (ev): -8.3703 -8.3703 4.3642 4.3642 4.7629 4.7629 5.2893 5.2893 10.3036 10.3036 10.3719 10.3719 10.9755 10.9755 11.1441 11.1441 11.8927 11.8927 19.6755 19.6755 20.2069 20.2069 k = 0.5000 0.0611 0.5260 ( 728 PWs) bands (ev): -8.3721 -8.3721 4.3140 4.3140 4.7750 4.7750 5.3099 5.3099 10.3042 10.3042 10.3781 10.3781 10.9763 10.9763 11.1677 11.1677 11.9130 11.9130 19.6890 19.6890 20.0942 20.0942 k = 0.5000 0.0666 0.5182 ( 728 PWs) bands (ev): -8.3741 -8.3741 4.2628 4.2628 4.7881 4.7881 5.3290 5.3290 10.3051 10.3051 10.3853 10.3853 10.9758 10.9758 11.1938 11.1938 11.9347 11.9347 19.7034 19.7034 19.9770 19.9770 k = 0.5000 0.0722 0.5103 ( 730 PWs) bands (ev): -8.3762 -8.3762 4.2109 4.2109 4.8021 4.8021 5.3467 5.3467 10.3064 10.3064 10.3933 10.3933 10.9744 10.9744 11.2223 11.2223 11.9578 11.9578 19.7186 19.7186 19.8562 19.8562 k = 0.5000 0.0777 0.5025 ( 730 PWs) bands (ev): -8.3784 -8.3784 4.1586 4.1586 4.8170 4.8170 5.3630 5.3630 10.3083 10.3083 10.4021 10.4021 10.9722 10.9722 11.2530 11.2530 11.9821 11.9821 19.7256 19.7256 19.7414 19.7414 k = 0.5000 0.0833 0.4946 ( 732 PWs) bands (ev): -8.3808 -8.3808 4.1059 4.1059 4.8326 4.8326 5.3776 5.3776 10.3108 10.3108 10.4118 10.4118 10.9692 10.9692 11.2856 11.2856 12.0074 12.0074 19.6048 19.6048 19.7528 19.7528 k = 0.5000 0.0888 0.4868 ( 732 PWs) bands (ev): -8.3832 -8.3832 4.0531 4.0531 4.8491 4.8491 5.3907 5.3907 10.3141 10.3141 10.4221 10.4221 10.9657 10.9657 11.3200 11.3200 12.0337 12.0337 19.4764 19.4764 19.7704 19.7704 k = 0.5000 0.0944 0.4789 ( 730 PWs) bands (ev): -8.3858 -8.3858 4.0003 4.0003 4.8663 4.8663 5.4024 5.4024 10.3180 10.3180 10.4332 10.4332 10.9617 10.9617 11.3562 11.3562 12.0608 12.0608 19.3463 19.3463 19.7889 19.7889 k = 0.5000 0.0999 0.4711 ( 730 PWs) bands (ev): -8.3884 -8.3884 3.9476 3.9476 4.8841 4.8841 5.4125 5.4125 10.3228 10.3228 10.4448 10.4448 10.9573 10.9573 11.3938 11.3938 12.0885 12.0885 19.2149 19.2149 19.8079 19.8080 k = 0.5000 0.1055 0.4632 ( 730 PWs) bands (ev): -8.3912 -8.3912 3.8952 3.8952 4.9025 4.9025 5.4213 5.4213 10.3284 10.3284 10.4569 10.4569 10.9525 10.9525 11.4327 11.4327 12.1168 12.1168 19.0825 19.0825 19.8276 19.8276 k = 0.5000 0.1110 0.4554 ( 730 PWs) bands (ev): -8.3940 -8.3940 3.8432 3.8432 4.9215 4.9215 5.4286 5.4286 10.3348 10.3348 10.4695 10.4695 10.9475 10.9475 11.4730 11.4730 12.1454 12.1454 18.9496 18.9496 19.8476 19.8476 k = 0.5000 0.1166 0.4475 ( 730 PWs) bands (ev): -8.3969 -8.3969 3.7917 3.7917 4.9408 4.9408 5.4347 5.4347 10.3420 10.3420 10.4824 10.4824 10.9422 10.9422 11.5144 11.5144 12.1743 12.1743 18.8164 18.8164 19.8680 19.8680 k = 0.5000 0.1221 0.4397 ( 730 PWs) bands (ev): -8.3998 -8.3998 3.7408 3.7408 4.9605 4.9605 5.4395 5.4395 10.3501 10.3501 10.4955 10.4955 10.9368 10.9368 11.5570 11.5570 12.2033 12.2033 18.6831 18.6831 19.8887 19.8888 k = 0.5000 0.1277 0.4318 ( 730 PWs) bands (ev): -8.4027 -8.4027 3.6906 3.6906 4.9805 4.9805 5.4431 5.4431 10.3590 10.3590 10.5089 10.5089 10.9314 10.9314 11.6006 11.6006 12.2324 12.2324 18.5501 18.5501 19.9097 19.9097 k = 0.5000 0.1332 0.4240 ( 726 PWs) bands (ev): -8.4057 -8.4057 3.6413 3.6413 5.0008 5.0008 5.4457 5.4457 10.3688 10.3688 10.5224 10.5224 10.9260 10.9260 11.6452 11.6452 12.2615 12.2615 18.4174 18.4174 19.9309 19.9309 k = 0.5000 0.1388 0.4161 ( 726 PWs) bands (ev): -8.4087 -8.4087 3.5928 3.5928 5.0211 5.0211 5.4473 5.4473 10.3793 10.3793 10.5358 10.5358 10.9207 10.9207 11.6906 11.6906 12.2902 12.2902 18.2854 18.2854 19.9521 19.9521 k = 0.5000 0.1443 0.4082 ( 722 PWs) bands (ev): -8.4117 -8.4117 3.5454 3.5454 5.0416 5.0416 5.4480 5.4480 10.3906 10.3906 10.5491 10.5491 10.9156 10.9156 11.7368 11.7368 12.3187 12.3187 18.1543 18.1543 19.9733 19.9733 k = 0.5000 0.1499 0.4004 ( 730 PWs) bands (ev): -8.4148 -8.4148 3.4991 3.4991 5.0620 5.0620 5.4477 5.4477 10.4022 10.4022 10.5621 10.5621 10.9105 10.9105 11.7837 11.7837 12.3467 12.3467 18.0241 18.0241 19.9944 19.9944 k = 0.5000 0.1554 0.3925 ( 732 PWs) bands (ev): -8.4178 -8.4178 3.4539 3.4539 5.0823 5.0823 5.4468 5.4468 10.4147 10.4147 10.5748 10.5748 10.9058 10.9058 11.8313 11.8313 12.3742 12.3742 17.8952 17.8952 20.0153 20.0153 k = 0.5000 0.1610 0.3847 ( 732 PWs) bands (ev): -8.4207 -8.4207 3.4100 3.4100 5.1025 5.1025 5.4451 5.4451 10.4278 10.4278 10.5870 10.5870 10.9015 10.9015 11.8794 11.8794 12.4011 12.4011 17.7679 17.7679 20.0361 20.0361 k = 0.5000 0.1665 0.3768 ( 732 PWs) bands (ev): -8.4237 -8.4237 3.3675 3.3675 5.1225 5.1225 5.4429 5.4429 10.4413 10.4413 10.5987 10.5987 10.8977 10.8977 11.9281 11.9281 12.4274 12.4274 17.6422 17.6422 20.0566 20.0566 k = 0.5000 0.1721 0.3690 ( 730 PWs) bands (ev): -8.4265 -8.4265 3.3263 3.3263 5.1421 5.1421 5.4402 5.4402 10.4553 10.4553 10.6097 10.6097 10.8945 10.8945 11.9772 11.9772 12.4529 12.4529 17.5185 17.5185 20.0767 20.0767 k = 0.5000 0.1776 0.3611 ( 736 PWs) bands (ev): -8.4294 -8.4294 3.2867 3.2867 5.1613 5.1613 5.4371 5.4371 10.4694 10.4694 10.6199 10.6199 10.8918 10.8918 12.0264 12.0264 12.4776 12.4776 17.3968 17.3968 20.0964 20.0964 k = 0.5000 0.1832 0.3533 ( 736 PWs) bands (ev): -8.4321 -8.4321 3.2485 3.2485 5.1802 5.1802 5.4336 5.4336 10.4839 10.4839 10.6292 10.6292 10.8899 10.8899 12.0759 12.0759 12.5014 12.5014 17.2776 17.2776 20.1156 20.1156 k = 0.5000 0.1887 0.3454 ( 734 PWs) bands (ev): -8.4348 -8.4348 3.2120 3.2120 5.1985 5.1985 5.4299 5.4299 10.4985 10.4985 10.6377 10.6377 10.8887 10.8887 12.1254 12.1254 12.5243 12.5243 17.1610 17.1610 20.1343 20.1343 k = 0.5000 0.1943 0.3376 ( 732 PWs) bands (ev): -8.4374 -8.4374 3.1771 3.1771 5.2162 5.2162 5.4259 5.4259 10.5133 10.5133 10.6451 10.6451 10.8883 10.8883 12.1748 12.1748 12.5463 12.5463 17.0473 17.0473 20.1524 20.1524 k = 0.5000 0.1999 0.3297 ( 734 PWs) bands (ev): -8.4399 -8.4399 3.1439 3.1439 5.2333 5.2333 5.4218 5.4218 10.5279 10.5279 10.6515 10.6515 10.8885 10.8885 12.2239 12.2239 12.5671 12.5671 16.9368 16.9368 20.1698 20.1698 k = 0.5000 0.2054 0.3219 ( 734 PWs) bands (ev): -8.4423 -8.4423 3.1125 3.1125 5.2497 5.2497 5.4177 5.4177 10.5423 10.5423 10.6569 10.6569 10.8896 10.8896 12.2725 12.2725 12.5869 12.5869 16.8298 16.8298 20.1865 20.1865 k = 0.5000 0.2110 0.3140 ( 734 PWs) bands (ev): -8.4446 -8.4446 3.0829 3.0829 5.2653 5.2653 5.4135 5.4135 10.5565 10.5565 10.6613 10.6613 10.8913 10.8913 12.3203 12.3203 12.6056 12.6056 16.7266 16.7266 20.2023 20.2023 k = 0.5000 0.2165 0.3062 ( 734 PWs) bands (ev): -8.4467 -8.4467 3.0552 3.0552 5.2800 5.2800 5.4094 5.4094 10.5703 10.5703 10.6648 10.6648 10.8936 10.8936 12.3672 12.3672 12.6232 12.6232 16.6276 16.6276 20.2174 20.2174 k = 0.5000 0.2221 0.2983 ( 736 PWs) bands (ev): -8.4488 -8.4488 3.0294 3.0294 5.2939 5.2939 5.4053 5.4053 10.5835 10.5835 10.6675 10.6675 10.8963 10.8963 12.4128 12.4128 12.6395 12.6395 16.5332 16.5332 20.2315 20.2315 k = 0.5000 0.2276 0.2905 ( 736 PWs) bands (ev): -8.4507 -8.4507 3.0054 3.0054 5.3069 5.3069 5.4014 5.4014 10.5961 10.5961 10.6695 10.6695 10.8994 10.8994 12.4570 12.4570 12.6546 12.6546 16.4438 16.4438 20.2447 20.2447 k = 0.5000 0.2332 0.2826 ( 734 PWs) bands (ev): -8.4524 -8.4524 2.9835 2.9835 5.3189 5.3189 5.3977 5.3977 10.6082 10.6082 10.6709 10.6709 10.9027 10.9027 12.4993 12.4993 12.6685 12.6685 16.3597 16.3597 20.2569 20.2569 k = 0.5000 0.2387 0.2748 ( 734 PWs) bands (ev): -8.4540 -8.4540 2.9635 2.9635 5.3298 5.3298 5.3943 5.3943 10.6193 10.6193 10.6719 10.6719 10.9061 10.9061 12.5393 12.5393 12.6812 12.6812 16.2816 16.2816 20.2681 20.2681 k = 0.5000 0.2443 0.2669 ( 736 PWs) bands (ev): -8.4555 -8.4555 2.9456 2.9456 5.3397 5.3397 5.3910 5.3910 10.6295 10.6295 10.6725 10.6725 10.9094 10.9094 12.5767 12.5767 12.6925 12.6925 16.2098 16.2098 20.2782 20.2782 k = 0.5000 0.2498 0.2591 ( 736 PWs) bands (ev): -8.4568 -8.4568 2.9297 2.9297 5.3486 5.3486 5.3881 5.3881 10.6386 10.6386 10.6729 10.6729 10.9126 10.9126 12.6111 12.6111 12.7027 12.7027 16.1448 16.1448 20.2872 20.2872 k = 0.5000 0.2554 0.2512 ( 736 PWs) bands (ev): -8.4579 -8.4579 2.9159 2.9159 5.3563 5.3563 5.3856 5.3856 10.6465 10.6465 10.6732 10.6732 10.9156 10.9156 12.6420 12.6420 12.7115 12.7115 16.0872 16.0872 20.2951 20.2951 k = 0.5000 0.2609 0.2434 ( 736 PWs) bands (ev): -8.4589 -8.4589 2.9042 2.9042 5.3628 5.3628 5.3834 5.3834 10.6531 10.6531 10.6736 10.6736 10.9183 10.9183 12.6690 12.6690 12.7191 12.7191 16.0375 16.0375 20.3018 20.3018 k = 0.5000 0.2665 0.2355 ( 736 PWs) bands (ev): -8.4597 -8.4597 2.8946 2.8946 5.3682 5.3682 5.3816 5.3816 10.6583 10.6583 10.6741 10.6741 10.9206 10.9206 12.6915 12.6915 12.7256 12.7256 15.9960 15.9960 20.3073 20.3073 k = 0.5000 0.2720 0.2277 ( 736 PWs) bands (ev): -8.4603 -8.4603 2.8871 2.8871 5.3722 5.3722 5.3803 5.3803 10.6620 10.6620 10.6749 10.6749 10.9224 10.9224 12.7090 12.7090 12.7310 12.7310 15.9633 15.9633 20.3116 20.3116 k = 0.5000 0.2776 0.2198 ( 736 PWs) bands (ev): -8.4607 -8.4607 2.8817 2.8817 5.3749 5.3749 5.3797 5.3797 10.6642 10.6642 10.6759 10.6759 10.9237 10.9237 12.7210 12.7210 12.7357 12.7357 15.9396 15.9396 20.3147 20.3147 k = 0.5000 0.2831 0.2120 ( 736 PWs) bands (ev): -8.4610 -8.4610 2.8785 2.8785 5.3761 5.3761 5.3796 5.3796 10.6653 10.6653 10.6767 10.6767 10.9246 10.9246 12.7272 12.7272 12.7396 12.7396 15.9253 15.9253 20.3165 20.3165 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -8.4611 -8.4611 2.8775 2.8775 5.3766 5.3766 5.3800 5.3800 10.6660 10.6660 10.6774 10.6774 10.9251 10.9251 12.7293 12.7293 12.7415 12.7415 15.9205 15.9205 20.3173 20.3173 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -8.4611 -8.4611 2.8775 2.8775 5.3766 5.3766 5.3800 5.3800 10.6660 10.6660 10.6774 10.6774 10.9251 10.9251 12.7293 12.7293 12.7415 12.7415 15.9205 15.9205 20.3173 20.3173 k = 0.4972 0.2871 0.2132 ( 734 PWs) bands (ev): -8.4610 -8.4610 2.8785 2.8785 5.3761 5.3761 5.3797 5.3797 10.6653 10.6653 10.6767 10.6767 10.9246 10.9246 12.7273 12.7273 12.7396 12.7396 15.9253 15.9253 20.3165 20.3165 k = 0.4944 0.2855 0.2223 ( 734 PWs) bands (ev): -8.4607 -8.4607 2.8818 2.8818 5.3749 5.3749 5.3797 5.3797 10.6642 10.6642 10.6759 10.6759 10.9238 10.9238 12.7210 12.7210 12.7358 12.7358 15.9396 15.9396 20.3147 20.3147 k = 0.4917 0.2839 0.2313 ( 734 PWs) bands (ev): -8.4603 -8.4603 2.8871 2.8871 5.3722 5.3722 5.3804 5.3804 10.6620 10.6620 10.6749 10.6749 10.9224 10.9224 12.7090 12.7090 12.7311 12.7311 15.9633 15.9633 20.3116 20.3116 k = 0.4889 0.2823 0.2404 ( 734 PWs) bands (ev): -8.4597 -8.4597 2.8946 2.8946 5.3681 5.3681 5.3817 5.3817 10.6583 10.6583 10.6742 10.6742 10.9206 10.9206 12.6915 12.6915 12.7256 12.7256 15.9961 15.9961 20.3073 20.3073 k = 0.4861 0.2807 0.2495 ( 734 PWs) bands (ev): -8.4589 -8.4589 2.9042 2.9042 5.3627 5.3627 5.3835 5.3835 10.6529 10.6529 10.6738 10.6738 10.9183 10.9183 12.6689 12.6689 12.7192 12.7192 16.0376 16.0376 20.3017 20.3017 k = 0.4833 0.2791 0.2586 ( 734 PWs) bands (ev): -8.4579 -8.4579 2.9160 2.9160 5.3561 5.3561 5.3858 5.3858 10.6460 10.6460 10.6738 10.6738 10.9156 10.9156 12.6419 12.6419 12.7116 12.7116 16.0874 16.0874 20.2950 20.2950 k = 0.4806 0.2774 0.2676 ( 734 PWs) bands (ev): -8.4568 -8.4568 2.9298 2.9298 5.3482 5.3482 5.3885 5.3885 10.6376 10.6376 10.6740 10.6740 10.9126 10.9126 12.6109 12.6109 12.7028 12.7028 16.1451 16.1451 20.2871 20.2871 k = 0.4778 0.2758 0.2767 ( 734 PWs) bands (ev): -8.4555 -8.4555 2.9457 2.9457 5.3392 5.3392 5.3916 5.3916 10.6277 10.6277 10.6745 10.6745 10.9092 10.9092 12.5764 12.5764 12.6928 12.6928 16.2101 16.2101 20.2781 20.2781 k = 0.4750 0.2742 0.2858 ( 731 PWs) bands (ev): -8.4540 -8.4540 2.9637 2.9637 5.3290 5.3290 5.3952 5.3952 10.6165 10.6165 10.6751 10.6751 10.9057 10.9057 12.5389 12.5389 12.6815 12.6815 16.2820 16.2820 20.2680 20.2680 k = 0.4722 0.2726 0.2948 ( 732 PWs) bands (ev): -8.4524 -8.4524 2.9836 2.9836 5.3176 5.3176 5.3991 5.3991 10.6040 10.6040 10.6758 10.6758 10.9019 10.9019 12.4987 12.4987 12.6690 12.6690 16.3602 16.3602 20.2568 20.2568 k = 0.4694 0.2710 0.3039 ( 730 PWs) bands (ev): -8.4507 -8.4507 3.0056 3.0056 5.3050 5.3050 5.4034 5.4034 10.5902 10.5902 10.6768 10.6768 10.8981 10.8981 12.4562 12.4562 12.6554 12.6554 16.4442 16.4442 20.2446 20.2446 k = 0.4667 0.2694 0.3130 ( 732 PWs) bands (ev): -8.4488 -8.4488 3.0296 3.0296 5.2911 5.2911 5.4082 5.4082 10.5752 10.5752 10.6778 10.6778 10.8943 10.8943 12.4118 12.4118 12.6405 12.6405 16.5335 16.5335 20.2313 20.2313 k = 0.4639 0.2678 0.3221 ( 732 PWs) bands (ev): -8.4467 -8.4467 3.0555 3.0555 5.2762 5.2762 5.4133 5.4133 10.5590 10.5590 10.6790 10.6790 10.8904 10.8904 12.3659 12.3659 12.6245 12.6245 16.6278 16.6278 20.2172 20.2172 k = 0.4611 0.2662 0.3311 ( 734 PWs) bands (ev): -8.4446 -8.4446 3.0833 3.0833 5.2602 5.2602 5.4187 5.4187 10.5416 10.5416 10.6803 10.6803 10.8867 10.8867 12.3188 12.3188 12.6073 12.6073 16.7265 16.7265 20.2021 20.2021 k = 0.4583 0.2646 0.3402 ( 734 PWs) bands (ev): -8.4423 -8.4423 3.1129 3.1129 5.2431 5.2431 5.4245 5.4245 10.5232 10.5232 10.6818 10.6818 10.8831 10.8831 12.2708 12.2708 12.5891 12.5891 16.8292 16.8292 20.1862 20.1862 k = 0.4556 0.2630 0.3493 ( 734 PWs) bands (ev): -8.4399 -8.4399 3.1444 3.1444 5.2249 5.2249 5.4307 5.4307 10.5037 10.5037 10.6835 10.6835 10.8797 10.8797 12.2222 12.2222 12.5698 12.5698 16.9357 16.9357 20.1694 20.1694 k = 0.4528 0.2614 0.3584 ( 736 PWs) bands (ev): -8.4375 -8.4375 3.1776 3.1776 5.2057 5.2057 5.4373 5.4373 10.4832 10.4832 10.6853 10.6853 10.8766 10.8766 12.1730 12.1730 12.5495 12.5495 17.0453 17.0453 20.1520 20.1520 k = 0.4500 0.2598 0.3674 ( 732 PWs) bands (ev): -8.4349 -8.4349 3.2125 3.2125 5.1855 5.1855 5.4443 5.4443 10.4618 10.4618 10.6874 10.6874 10.8739 10.8739 12.1237 12.1237 12.5283 12.5283 17.1580 17.1580 20.1338 20.1338 k = 0.4472 0.2582 0.3765 ( 734 PWs) bands (ev): -8.4322 -8.4322 3.2491 3.2491 5.1642 5.1642 5.4515 5.4515 10.4395 10.4395 10.6895 10.6895 10.8715 10.8715 12.0744 12.0744 12.5061 12.5061 17.2732 17.2732 20.1150 20.1150 k = 0.4444 0.2566 0.3856 ( 730 PWs) bands (ev): -8.4295 -8.4295 3.2874 3.2874 5.1421 5.1421 5.4591 5.4591 10.4165 10.4165 10.6920 10.6920 10.8696 10.8696 12.0254 12.0254 12.4829 12.4829 17.3906 17.3906 20.0957 20.0957 k = 0.4417 0.2550 0.3946 ( 730 PWs) bands (ev): -8.4267 -8.4267 3.3271 3.3271 5.1189 5.1189 5.4670 5.4670 10.3924 10.3924 10.6947 10.6947 10.8681 10.8681 11.9766 11.9766 12.4589 12.4589 17.5100 17.5100 20.0759 20.0759 k = 0.4389 0.2534 0.4037 ( 726 PWs) bands (ev): -8.4239 -8.4239 3.3684 3.3684 5.0949 5.0949 5.4752 5.4752 10.3677 10.3677 10.6977 10.6977 10.8671 10.8671 11.9284 11.9284 12.4341 12.4341 17.6310 17.6310 20.0557 20.0557 k = 0.4361 0.2518 0.4128 ( 726 PWs) bands (ev): -8.4211 -8.4211 3.4111 3.4111 5.0700 5.0700 5.4837 5.4837 10.3422 10.3422 10.7008 10.7008 10.8667 10.8667 11.8809 11.8809 12.4084 12.4084 17.7532 17.7532 20.0352 20.0352 k = 0.4333 0.2502 0.4219 ( 726 PWs) bands (ev): -8.4182 -8.4182 3.4551 3.4551 5.0443 5.0443 5.4925 5.4925 10.3160 10.3160 10.7042 10.7042 10.8668 10.8668 11.8341 11.8341 12.3820 12.3820 17.8763 17.8763 20.0144 20.0144 k = 0.4306 0.2486 0.4309 ( 725 PWs) bands (ev): -8.4154 -8.4154 3.5004 3.5004 5.0179 5.0179 5.5016 5.5016 10.2891 10.2891 10.7079 10.7079 10.8674 10.8674 11.7883 11.7883 12.3548 12.3548 17.9999 17.9999 19.9936 19.9936 k = 0.4278 0.2470 0.4400 ( 727 PWs) bands (ev): -8.4126 -8.4126 3.5469 3.5469 4.9907 4.9907 5.5109 5.5109 10.2615 10.2615 10.7117 10.7117 10.8685 10.8685 11.7436 11.7436 12.3269 12.3269 18.1236 18.1236 19.9729 19.9729 k = 0.4250 0.2454 0.4491 ( 729 PWs) bands (ev): -8.4098 -8.4098 3.5945 3.5945 4.9630 4.9630 5.5205 5.5205 10.2333 10.2333 10.7158 10.7158 10.8703 10.8703 11.7000 11.7000 12.2983 12.2983 18.2469 18.2469 19.9525 19.9525 k = 0.4222 0.2438 0.4581 ( 731 PWs) bands (ev): -8.4070 -8.4070 3.6432 3.6432 4.9346 4.9346 5.5304 5.5304 10.2046 10.2046 10.7201 10.7201 10.8727 10.8727 11.6577 11.6577 12.2691 12.2691 18.3693 18.3693 19.9327 19.9327 k = 0.4194 0.2422 0.4672 ( 727 PWs) bands (ev): -8.4043 -8.4043 3.6928 3.6928 4.9058 4.9058 5.5407 5.5407 10.1753 10.1753 10.7249 10.7249 10.8757 10.8757 11.6170 11.6170 12.2394 12.2394 18.4901 18.4901 19.9140 19.9140 k = 0.4167 0.2406 0.4763 ( 723 PWs) bands (ev): -8.4017 -8.4017 3.7433 3.7433 4.8766 4.8766 5.5511 5.5511 10.1455 10.1455 10.7299 10.7299 10.8793 10.8793 11.5779 11.5779 12.2092 12.2092 18.6083 18.6083 19.8969 19.8969 k = 0.4139 0.2390 0.4854 ( 723 PWs) bands (ev): -8.3992 -8.3992 3.7945 3.7945 4.8470 4.8470 5.5617 5.5617 10.1152 10.1152 10.7351 10.7351 10.8834 10.8834 11.5404 11.5404 12.1783 12.1783 18.7228 18.7228 19.8823 19.8823 k = 0.4111 0.2374 0.4944 ( 723 PWs) bands (ev): -8.3968 -8.3968 3.8463 3.8463 4.8171 4.8171 5.5726 5.5726 10.0844 10.0844 10.7405 10.7405 10.8879 10.8879 11.5048 11.5048 12.1470 12.1470 18.8319 18.8319 19.8716 19.8716 k = 0.4083 0.2358 0.5035 ( 722 PWs) bands (ev): -8.3946 -8.3946 3.8986 3.8986 4.7872 4.7872 5.5838 5.5838 10.0532 10.0532 10.7461 10.7461 10.8929 10.8929 11.4712 11.4712 12.1152 12.1152 18.9333 18.9333 19.8665 19.8665 k = 0.4056 0.2341 0.5126 ( 724 PWs) bands (ev): -8.3925 -8.3925 3.9512 3.9512 4.7572 4.7572 5.5951 5.5951 10.0216 10.0216 10.7519 10.7519 10.8982 10.8982 11.4394 11.4394 12.0830 12.0830 19.0242 19.0242 19.8699 19.8699 k = 0.4028 0.2325 0.5217 ( 723 PWs) bands (ev): -8.3906 -8.3906 4.0040 4.0040 4.7275 4.7275 5.6067 5.6067 9.9897 9.9897 10.7579 10.7579 10.9039 10.9039 11.4100 11.4100 12.0504 12.0504 19.1007 19.1007 19.8848 19.8848 k = 0.4000 0.2309 0.5307 ( 725 PWs) bands (ev): -8.3889 -8.3889 4.0565 4.0565 4.6982 4.6982 5.6185 5.6185 9.9574 9.9574 10.7641 10.7641 10.9098 10.9098 11.3829 11.3829 12.0174 12.0174 19.1592 19.1592 19.9146 19.9146 k = 0.3972 0.2293 0.5398 ( 725 PWs) bands (ev): -8.3874 -8.3874 4.1086 4.1086 4.6698 4.6698 5.6305 5.6305 9.9249 9.9249 10.7705 10.7705 10.9158 10.9158 11.3581 11.3581 11.9841 11.9841 19.1974 19.1974 19.9610 19.9610 k = 0.3944 0.2277 0.5489 ( 725 PWs) bands (ev): -8.3862 -8.3862 4.1596 4.1596 4.6427 4.6427 5.6428 5.6428 9.8921 9.8921 10.7770 10.7770 10.9218 10.9218 11.3359 11.3359 11.9505 11.9505 19.2155 19.2155 20.0234 20.0234 k = 0.3917 0.2261 0.5579 ( 723 PWs) bands (ev): -8.3852 -8.3852 4.2086 4.2086 4.6179 4.6179 5.6553 5.6553 9.8592 9.8592 10.7836 10.7836 10.9277 10.9277 11.3164 11.3164 11.9167 11.9167 19.2159 19.2159 20.0986 20.0986 k = 0.3889 0.2245 0.5670 ( 723 PWs) bands (ev): -8.3845 -8.3845 4.2541 4.2541 4.5968 4.5968 5.6680 5.6680 9.8261 9.8261 10.7903 10.7903 10.9334 10.9334 11.2995 11.2995 11.8826 11.8826 19.2019 19.2019 20.1822 20.1822 k = 0.3861 0.2229 0.5761 ( 725 PWs) bands (ev): -8.3841 -8.3841 4.2934 4.2934 4.5822 4.5822 5.6809 5.6809 9.7928 9.7928 10.7970 10.7970 10.9388 10.9388 11.2854 11.2854 11.8484 11.8484 19.1767 19.1767 20.2693 20.2693 k = 0.3833 0.2213 0.5852 ( 725 PWs) bands (ev): -8.3840 -8.3840 4.3224 4.3224 4.5782 4.5782 5.6940 5.6940 9.7595 9.7595 10.8037 10.8037 10.9438 10.9438 11.2740 11.2740 11.8139 11.8139 19.1427 19.1427 20.3530 20.3530 k = 0.3806 0.2197 0.5942 ( 725 PWs) bands (ev): -8.3843 -8.3843 4.3371 4.3371 4.5888 4.5888 5.7074 5.7074 9.7262 9.7262 10.8104 10.8104 10.9483 10.9483 11.2655 11.2655 11.7794 11.7794 19.1018 19.1018 20.4211 20.4211 k = 0.3778 0.2181 0.6033 ( 724 PWs) bands (ev): -8.3849 -8.3849 4.3369 4.3369 4.6145 4.6145 5.7209 5.7209 9.6930 9.6930 10.8171 10.8171 10.9525 10.9525 11.2598 11.2598 11.7447 11.7447 19.0552 19.0552 20.4558 20.4558 k = 0.3750 0.2165 0.6124 ( 724 PWs) bands (ev): -8.3860 -8.3860 4.3257 4.3257 4.6516 4.6516 5.7347 5.7347 9.6599 9.6599 10.8237 10.8237 10.9560 10.9560 11.2567 11.2567 11.7100 11.7100 19.0041 19.0041 20.4574 20.4574 k = 0.6250-0.0722 0.4082 ( 724 PWs) bands (ev): -8.3860 -8.3860 4.3257 4.3257 4.6516 4.6516 5.7347 5.7347 9.6599 9.6599 10.8237 10.8237 10.9560 10.9560 11.2567 11.2567 11.7100 11.7100 19.0041 19.0041 20.4574 20.4574 k = 0.6202-0.0805 0.4082 ( 724 PWs) bands (ev): -8.3883 -8.3883 4.2998 4.2998 4.7239 4.7239 5.7591 5.7591 9.6024 9.6024 10.8347 10.8347 10.9616 10.9616 11.2530 11.2530 11.6499 11.6499 18.9130 18.9130 20.4433 20.4433 k = 0.6154-0.0888 0.4082 ( 726 PWs) bands (ev): -8.3909 -8.3909 4.2748 4.2748 4.7978 4.7978 5.7840 5.7840 9.5445 9.5445 10.8452 10.8452 10.9669 10.9669 11.2487 11.2487 11.5899 11.5899 18.8236 18.8236 20.4302 20.4302 k = 0.6106-0.0972 0.4082 ( 730 PWs) bands (ev): -8.3938 -8.3938 4.2509 4.2509 4.8730 4.8730 5.8093 5.8093 9.4865 9.4865 10.8550 10.8550 10.9717 10.9717 11.2437 11.2437 11.5300 11.5300 18.7360 18.7360 20.4181 20.4181 k = 0.6058-0.1055 0.4082 ( 730 PWs) bands (ev): -8.3970 -8.3970 4.2279 4.2279 4.9494 4.9494 5.8349 5.8349 9.4285 9.4285 10.8643 10.8643 10.9763 10.9763 11.2382 11.2382 11.4708 11.4708 18.6505 18.6505 20.4070 20.4070 k = 0.6010-0.1138 0.4082 ( 728 PWs) bands (ev): -8.4004 -8.4004 4.2059 4.2059 5.0268 5.0268 5.8609 5.8609 9.3705 9.3705 10.8730 10.8730 10.9806 10.9806 11.2321 11.2321 11.4125 11.4125 18.5671 18.5671 20.3968 20.3968 k = 0.5962-0.1221 0.4082 ( 730 PWs) bands (ev): -8.4040 -8.4040 4.1848 4.1848 5.1048 5.1048 5.8869 5.8869 9.3125 9.3125 10.8811 10.8811 10.9845 10.9845 11.2254 11.2254 11.3551 11.3551 18.4860 18.4860 20.3875 20.3875 k = 0.5913-0.1305 0.4082 ( 730 PWs) bands (ev): -8.4076 -8.4076 4.1648 4.1648 5.1833 5.1833 5.9129 5.9129 9.2548 9.2548 10.8885 10.8885 10.9880 10.9880 11.2183 11.2183 11.2990 11.2990 18.4074 18.4074 20.3790 20.3790 k = 0.5865-0.1388 0.4082 ( 730 PWs) bands (ev): -8.4114 -8.4114 4.1458 4.1458 5.2619 5.2619 5.9388 5.9388 9.1975 9.1975 10.8953 10.8953 10.9909 10.9909 11.2107 11.2107 11.2448 11.2448 18.3315 18.3315 20.3712 20.3712 k = 0.5817-0.1471 0.4082 ( 732 PWs) bands (ev): -8.4151 -8.4151 4.1278 4.1278 5.3403 5.3403 5.9644 5.9644 9.1405 9.1405 10.9014 10.9014 10.9929 10.9929 11.1915 11.1915 11.2041 11.2041 18.2585 18.2585 20.3642 20.3642 k = 0.5769-0.1554 0.4082 ( 732 PWs) bands (ev): -8.4189 -8.4189 4.1108 4.1108 5.4183 5.4183 5.9896 5.9896 9.0843 9.0843 10.9069 10.9069 10.9932 10.9932 11.1431 11.1431 11.1956 11.1956 18.1884 18.1884 20.3579 20.3579 k = 0.5721-0.1638 0.4082 ( 730 PWs) bands (ev): -8.4226 -8.4226 4.0948 4.0948 5.4955 5.4955 6.0143 6.0143 9.0289 9.0289 10.9117 10.9117 10.9902 10.9902 11.0992 11.0992 11.1875 11.1875 18.1216 18.1216 20.3522 20.3522 k = 0.5673-0.1721 0.4082 ( 734 PWs) bands (ev): -8.4263 -8.4263 4.0798 4.0798 5.5714 5.5714 6.0383 6.0383 8.9744 8.9744 10.9157 10.9157 10.9794 10.9794 11.0649 11.0649 11.1794 11.1794 18.0582 18.0582 20.3470 20.3470 k = 0.5625-0.1804 0.4082 ( 734 PWs) bands (ev): -8.4299 -8.4299 4.0658 4.0658 5.6458 5.6458 6.0616 6.0616 8.9212 8.9212 10.9189 10.9189 10.9562 10.9562 11.0456 11.0456 11.1715 11.1715 17.9983 17.9983 20.3424 20.3424 k = 0.5577-0.1887 0.4082 ( 734 PWs) bands (ev): -8.4333 -8.4333 4.0529 4.0529 5.7181 5.7181 6.0839 6.0839 8.8693 8.8693 10.9162 10.9162 10.9286 10.9286 11.0382 11.0382 11.1638 11.1638 17.9422 17.9422 20.3383 20.3383 k = 0.5529-0.1971 0.4082 ( 734 PWs) bands (ev): -8.4366 -8.4366 4.0410 4.0410 5.7879 5.7879 6.1052 6.1052 8.8192 8.8192 10.8848 10.8848 10.9264 10.9264 11.0362 11.0362 11.1563 11.1563 17.8899 17.8899 20.3346 20.3346 k = 0.5481-0.2054 0.4082 ( 734 PWs) bands (ev): -8.4396 -8.4396 4.0301 4.0301 5.8546 5.8546 6.1253 6.1253 8.7711 8.7711 10.8495 10.8495 10.9279 10.9279 11.0362 11.0362 11.1493 11.1493 17.8416 17.8416 20.3314 20.3314 k = 0.5433-0.2137 0.4082 ( 728 PWs) bands (ev): -8.4425 -8.4425 4.0202 4.0202 5.9177 5.9177 6.1440 6.1440 8.7257 8.7257 10.8161 10.8161 10.9293 10.9293 11.0372 11.0372 11.1428 11.1428 17.7975 17.7975 20.3286 20.3286 k = 0.5385-0.2221 0.4082 ( 736 PWs) bands (ev): -8.4451 -8.4451 4.0114 4.0114 5.9765 5.9765 6.1613 6.1613 8.6825 8.6825 10.7849 10.7849 10.9301 10.9301 11.0383 11.0383 11.1367 11.1367 17.7577 17.7577 20.3261 20.3261 k = 0.5337-0.2304 0.4082 ( 736 PWs) bands (ev): -8.4475 -8.4475 4.0036 4.0036 6.0303 6.0303 6.1772 6.1772 8.6429 8.6429 10.7568 10.7568 10.9308 10.9308 11.0398 11.0398 11.1312 11.1312 17.7222 17.7222 20.3240 20.3240 k = 0.5288-0.2387 0.4082 ( 736 PWs) bands (ev): -8.4496 -8.4496 3.9969 3.9969 6.0785 6.0785 6.1916 6.1916 8.6071 8.6071 10.7321 10.7321 10.9313 10.9313 11.0411 11.0411 11.1265 11.1265 17.6913 17.6913 20.3222 20.3222 k = 0.5240-0.2470 0.4082 ( 736 PWs) bands (ev): -8.4513 -8.4513 3.9911 3.9911 6.1200 6.1200 6.2046 6.2046 8.5756 8.5756 10.7108 10.7108 10.9315 10.9315 11.0424 11.0424 11.1224 11.1224 17.6650 17.6650 20.3208 20.3208 k = 0.5192-0.2554 0.4082 ( 736 PWs) bands (ev): -8.4528 -8.4528 3.9865 3.9865 6.1541 6.1541 6.2164 6.2164 8.5490 8.5490 10.6932 10.6932 10.9315 10.9315 11.0434 11.0434 11.1190 11.1190 17.6434 17.6434 20.3196 20.3196 k = 0.5144-0.2637 0.4082 ( 740 PWs) bands (ev): -8.4540 -8.4540 3.9828 3.9828 6.1796 6.1796 6.2273 6.2273 8.5274 8.5274 10.6793 10.6793 10.9315 10.9315 11.0442 11.0442 11.1163 11.1163 17.6265 17.6265 20.3187 20.3187 k = 0.5096-0.2720 0.4082 ( 740 PWs) bands (ev): -8.4548 -8.4548 3.9802 3.9802 6.1962 6.1962 6.2372 6.2372 8.5118 8.5118 10.6694 10.6694 10.9314 10.9314 11.0449 11.0449 11.1144 11.1144 17.6144 17.6144 20.3180 20.3180 k = 0.5048-0.2803 0.4082 ( 740 PWs) bands (ev): -8.4553 -8.4553 3.9787 3.9787 6.2051 6.2051 6.2444 6.2444 8.5022 8.5022 10.6634 10.6634 10.9314 10.9314 11.0452 11.0452 11.1133 11.1133 17.6071 17.6071 20.3176 20.3176 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -8.4555 -8.4555 3.9781 3.9781 6.2078 6.2078 6.2471 6.2471 8.4991 8.4991 10.6614 10.6614 10.9314 10.9314 11.0454 11.0454 11.1129 11.1129 17.6047 17.6047 20.3175 20.3175 Writing output data file FeO.save init_run : 0.10s CPU 0.24s WALL ( 1 calls) electrons : 33.78s CPU 34.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 33.77s CPU 34.87s 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 : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 483 calls) cegterg : 30.84s CPU 31.59s WALL ( 538 calls) Called by sum_band: Called by *egterg: h_psi : 13.04s CPU 13.43s WALL ( 7607 calls) s_psi : 0.51s CPU 0.49s WALL ( 7607 calls) g_psi : 0.04s CPU 0.02s WALL ( 6586 calls) cdiaghg : 17.00s CPU 17.45s WALL ( 7069 calls) cegterg:over : 0.90s CPU 0.88s WALL ( 6586 calls) cegterg:upda : 0.56s CPU 0.66s WALL ( 6586 calls) cegterg:last : 0.34s CPU 0.37s WALL ( 1346 calls) cdiaghg:chol : 0.84s CPU 0.90s WALL ( 7069 calls) cdiaghg:inve : 0.18s CPU 0.18s WALL ( 7069 calls) cdiaghg:para : 1.12s CPU 1.23s WALL ( 14138 calls) Called by h_psi: h_psi:vloc : 11.79s CPU 12.20s WALL ( 7607 calls) h_psi:vnl : 1.22s CPU 1.21s WALL ( 7607 calls) add_vuspsi : 0.62s CPU 0.62s WALL ( 7607 calls) General routines calbec : 0.57s CPU 0.57s WALL ( 7607 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.22s CPU 11.59s WALL ( 374480 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.19s WALL ( 966 calls) Parallel routines fft_scatter : 6.27s CPU 6.71s WALL ( 374503 calls) PWSCF : 41.02s CPU 54.69s WALL This run was terminated on: 18:15:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=