Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 4: 5 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: ./ZnO.save/ file Zn.rel-pbe-dn-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 11 3 358 153 25 Max 21 12 4 362 168 29 Sum 733 421 127 12939 5769 965 bravais-lattice index = 14 lattice parameter (alat) = 5.7075 a.u. unit-cell volume = 131.4670 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 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)= 5.707474 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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) Zn 12.00 65.40900 Zn( 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= 490 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 2) = ( 0.0067568 -0.0039010 0.0055169), wk = 0.0020408 k( 3) = ( 0.0135135 -0.0078020 0.0110337), wk = 0.0020408 k( 4) = ( 0.0202703 -0.0117030 0.0165506), wk = 0.0020408 k( 5) = ( 0.0270270 -0.0156041 0.0220675), wk = 0.0020408 k( 6) = ( 0.0337838 -0.0195051 0.0275843), wk = 0.0020408 k( 7) = ( 0.0405405 -0.0234061 0.0331012), wk = 0.0020408 k( 8) = ( 0.0472973 -0.0273071 0.0386181), wk = 0.0020408 k( 9) = ( 0.0540540 -0.0312081 0.0441349), wk = 0.0020408 k( 10) = ( 0.0608108 -0.0351091 0.0496518), wk = 0.0020408 k( 11) = ( 0.0675676 -0.0390102 0.0551687), wk = 0.0020408 k( 12) = ( 0.0743243 -0.0429112 0.0606856), wk = 0.0020408 k( 13) = ( 0.0810811 -0.0468122 0.0662024), wk = 0.0020408 k( 14) = ( 0.0878378 -0.0507132 0.0717193), wk = 0.0020408 k( 15) = ( 0.0945946 -0.0546142 0.0772362), wk = 0.0020408 k( 16) = ( 0.1013514 -0.0585152 0.0827530), wk = 0.0020408 k( 17) = ( 0.1081081 -0.0624162 0.0882699), wk = 0.0020408 k( 18) = ( 0.1148649 -0.0663173 0.0937868), wk = 0.0020408 k( 19) = ( 0.1216216 -0.0702183 0.0993036), wk = 0.0020408 k( 20) = ( 0.1283784 -0.0741193 0.1048205), wk = 0.0020408 k( 21) = ( 0.1351351 -0.0780203 0.1103374), wk = 0.0020408 k( 22) = ( 0.1418919 -0.0819213 0.1158542), wk = 0.0020408 k( 23) = ( 0.1486486 -0.0858223 0.1213711), wk = 0.0020408 k( 24) = ( 0.1554054 -0.0897234 0.1268880), wk = 0.0020408 k( 25) = ( 0.1621622 -0.0936244 0.1324048), wk = 0.0020408 k( 26) = ( 0.1689189 -0.0975254 0.1379217), wk = 0.0020408 k( 27) = ( 0.1756757 -0.1014264 0.1434386), wk = 0.0020408 k( 28) = ( 0.1824324 -0.1053274 0.1489555), wk = 0.0020408 k( 29) = ( 0.1891892 -0.1092284 0.1544723), wk = 0.0020408 k( 30) = ( 0.1959460 -0.1131294 0.1599892), wk = 0.0020408 k( 31) = ( 0.2027027 -0.1170305 0.1655061), wk = 0.0020408 k( 32) = ( 0.2094595 -0.1209315 0.1710229), wk = 0.0020408 k( 33) = ( 0.2162162 -0.1248325 0.1765398), wk = 0.0020408 k( 34) = ( 0.2229730 -0.1287335 0.1820567), wk = 0.0020408 k( 35) = ( 0.2297297 -0.1326345 0.1875735), wk = 0.0020408 k( 36) = ( 0.2364865 -0.1365355 0.1930904), wk = 0.0020408 k( 37) = ( 0.2432432 -0.1404366 0.1986073), wk = 0.0020408 k( 38) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0020408 k( 39) = ( 0.2567568 -0.1482386 0.2096410), wk = 0.0020408 k( 40) = ( 0.2635135 -0.1521396 0.2151579), wk = 0.0020408 k( 41) = ( 0.2702703 -0.1560406 0.2206748), wk = 0.0020408 k( 42) = ( 0.2770270 -0.1599416 0.2261916), wk = 0.0020408 k( 43) = ( 0.2837838 -0.1638426 0.2317085), wk = 0.0020408 k( 44) = ( 0.2905405 -0.1677437 0.2372254), wk = 0.0020408 k( 45) = ( 0.2972973 -0.1716447 0.2427422), wk = 0.0020408 k( 46) = ( 0.3040541 -0.1755457 0.2482591), wk = 0.0020408 k( 47) = ( 0.3108108 -0.1794467 0.2537760), wk = 0.0020408 k( 48) = ( 0.3175676 -0.1833477 0.2592928), wk = 0.0020408 k( 49) = ( 0.3243243 -0.1872487 0.2648097), wk = 0.0020408 k( 50) = ( 0.3310811 -0.1911498 0.2703266), wk = 0.0020408 k( 51) = ( 0.3378378 -0.1950508 0.2758434), wk = 0.0020408 k( 52) = ( 0.3445946 -0.1989518 0.2813603), wk = 0.0020408 k( 53) = ( 0.3513514 -0.2028528 0.2868772), wk = 0.0020408 k( 54) = ( 0.3581081 -0.2067538 0.2923940), wk = 0.0020408 k( 55) = ( 0.3648649 -0.2106548 0.2979109), wk = 0.0020408 k( 56) = ( 0.3716216 -0.2145558 0.3034278), wk = 0.0020408 k( 57) = ( 0.3783784 -0.2184569 0.3089447), wk = 0.0020408 k( 58) = ( 0.3851351 -0.2223579 0.3144615), wk = 0.0020408 k( 59) = ( 0.3918919 -0.2262589 0.3199784), wk = 0.0020408 k( 60) = ( 0.3986486 -0.2301599 0.3254953), wk = 0.0020408 k( 61) = ( 0.4054054 -0.2340609 0.3310121), wk = 0.0020408 k( 62) = ( 0.4121622 -0.2379619 0.3365290), wk = 0.0020408 k( 63) = ( 0.4189189 -0.2418630 0.3420459), wk = 0.0020408 k( 64) = ( 0.4256757 -0.2457640 0.3475627), wk = 0.0020408 k( 65) = ( 0.4324324 -0.2496650 0.3530796), wk = 0.0020408 k( 66) = ( 0.4391892 -0.2535660 0.3585965), wk = 0.0020408 k( 67) = ( 0.4459459 -0.2574670 0.3641133), wk = 0.0020408 k( 68) = ( 0.4527027 -0.2613680 0.3696302), wk = 0.0020408 k( 69) = ( 0.4594595 -0.2652690 0.3751471), wk = 0.0020408 k( 70) = ( 0.4662162 -0.2691701 0.3806639), wk = 0.0020408 k( 71) = ( 0.4729730 -0.2730711 0.3861808), wk = 0.0020408 k( 72) = ( 0.4797297 -0.2769721 0.3916977), wk = 0.0020408 k( 73) = ( 0.4864865 -0.2808731 0.3972146), wk = 0.0020408 k( 74) = ( 0.4932432 -0.2847741 0.4027314), wk = 0.0020408 k( 75) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020408 k( 76) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020408 k( 77) = ( 0.5000000 -0.2808731 0.4137652), wk = 0.0020408 k( 78) = ( 0.5000000 -0.2730711 0.4192820), wk = 0.0020408 k( 79) = ( 0.5000000 -0.2652690 0.4247989), wk = 0.0020408 k( 80) = ( 0.5000000 -0.2574670 0.4303158), wk = 0.0020408 k( 81) = ( 0.5000000 -0.2496650 0.4358326), wk = 0.0020408 k( 82) = ( 0.5000000 -0.2418630 0.4413495), wk = 0.0020408 k( 83) = ( 0.5000000 -0.2340609 0.4468664), wk = 0.0020408 k( 84) = ( 0.5000000 -0.2262589 0.4523832), wk = 0.0020408 k( 85) = ( 0.5000000 -0.2184569 0.4579001), wk = 0.0020408 k( 86) = ( 0.5000000 -0.2106548 0.4634170), wk = 0.0020408 k( 87) = ( 0.5000000 -0.2028528 0.4689338), wk = 0.0020408 k( 88) = ( 0.5000000 -0.1950508 0.4744507), wk = 0.0020408 k( 89) = ( 0.5000000 -0.1872487 0.4799676), wk = 0.0020408 k( 90) = ( 0.5000000 -0.1794467 0.4854844), wk = 0.0020408 k( 91) = ( 0.5000000 -0.1716447 0.4910013), wk = 0.0020408 k( 92) = ( 0.5000000 -0.1638426 0.4965182), wk = 0.0020408 k( 93) = ( 0.5000000 -0.1560406 0.5020351), wk = 0.0020408 k( 94) = ( 0.5000000 -0.1482386 0.5075519), wk = 0.0020408 k( 95) = ( 0.5000000 -0.1404366 0.5130688), wk = 0.0020408 k( 96) = ( 0.5000000 -0.1326345 0.5185857), wk = 0.0020408 k( 97) = ( 0.5000000 -0.1248325 0.5241025), wk = 0.0020408 k( 98) = ( 0.5000000 -0.1170305 0.5296194), wk = 0.0020408 k( 99) = ( 0.5000000 -0.1092284 0.5351363), wk = 0.0020408 k( 100) = ( 0.5000000 -0.1014264 0.5406531), wk = 0.0020408 k( 101) = ( 0.5000000 -0.0936244 0.5461700), wk = 0.0020408 k( 102) = ( 0.5000000 -0.0858223 0.5516869), wk = 0.0020408 k( 103) = ( 0.5000000 -0.0780203 0.5572037), wk = 0.0020408 k( 104) = ( 0.5000000 -0.0702183 0.5627206), wk = 0.0020408 k( 105) = ( 0.5000000 -0.0624162 0.5682375), wk = 0.0020408 k( 106) = ( 0.5000000 -0.0546142 0.5737544), wk = 0.0020408 k( 107) = ( 0.5000000 -0.0468122 0.5792712), wk = 0.0020408 k( 108) = ( 0.5000000 -0.0390101 0.5847881), wk = 0.0020408 k( 109) = ( 0.5000000 -0.0312081 0.5903050), wk = 0.0020408 k( 110) = ( 0.5000000 -0.0234061 0.5958218), wk = 0.0020408 k( 111) = ( 0.5000000 -0.0156041 0.6013387), wk = 0.0020408 k( 112) = ( 0.5000000 -0.0078020 0.6068556), wk = 0.0020408 k( 113) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020408 k( 114) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020408 k( 115) = ( 0.4953704 0.0080188 0.6123724), wk = 0.0020408 k( 116) = ( 0.4907407 0.0160375 0.6123724), wk = 0.0020408 k( 117) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0020408 k( 118) = ( 0.4814815 0.0320750 0.6123724), wk = 0.0020408 k( 119) = ( 0.4768519 0.0400938 0.6123724), wk = 0.0020408 k( 120) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0020408 k( 121) = ( 0.4675926 0.0561313 0.6123724), wk = 0.0020408 k( 122) = ( 0.4629630 0.0641500 0.6123724), wk = 0.0020408 k( 123) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0020408 k( 124) = ( 0.4537037 0.0801875 0.6123724), wk = 0.0020408 k( 125) = ( 0.4490741 0.0882063 0.6123724), wk = 0.0020408 k( 126) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0020408 k( 127) = ( 0.4398148 0.1042438 0.6123724), wk = 0.0020408 k( 128) = ( 0.4351852 0.1122625 0.6123724), wk = 0.0020408 k( 129) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0020408 k( 130) = ( 0.4259259 0.1283001 0.6123724), wk = 0.0020408 k( 131) = ( 0.4212963 0.1363188 0.6123724), wk = 0.0020408 k( 132) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0020408 k( 133) = ( 0.4120370 0.1523563 0.6123724), wk = 0.0020408 k( 134) = ( 0.4074074 0.1603751 0.6123724), wk = 0.0020408 k( 135) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0020408 k( 136) = ( 0.3981481 0.1764126 0.6123724), wk = 0.0020408 k( 137) = ( 0.3935185 0.1844313 0.6123724), wk = 0.0020408 k( 138) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0020408 k( 139) = ( 0.3842593 0.2004688 0.6123724), wk = 0.0020408 k( 140) = ( 0.3796296 0.2084876 0.6123724), wk = 0.0020408 k( 141) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020408 k( 142) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020408 k( 143) = ( 0.3702532 0.2137658 0.6046209), wk = 0.0020408 k( 144) = ( 0.3655063 0.2110252 0.5968693), wk = 0.0020408 k( 145) = ( 0.3607595 0.2082846 0.5891178), wk = 0.0020408 k( 146) = ( 0.3560127 0.2055440 0.5813662), wk = 0.0020408 k( 147) = ( 0.3512658 0.2028034 0.5736147), wk = 0.0020408 k( 148) = ( 0.3465190 0.2000628 0.5658631), wk = 0.0020408 k( 149) = ( 0.3417721 0.1973222 0.5581116), wk = 0.0020408 k( 150) = ( 0.3370253 0.1945817 0.5503600), wk = 0.0020408 k( 151) = ( 0.3322785 0.1918411 0.5426085), wk = 0.0020408 k( 152) = ( 0.3275317 0.1891005 0.5348569), wk = 0.0020408 k( 153) = ( 0.3227848 0.1863599 0.5271054), wk = 0.0020408 k( 154) = ( 0.3180380 0.1836193 0.5193538), wk = 0.0020408 k( 155) = ( 0.3132911 0.1808787 0.5116023), wk = 0.0020408 k( 156) = ( 0.3085443 0.1781381 0.5038507), wk = 0.0020408 k( 157) = ( 0.3037975 0.1753976 0.4960992), wk = 0.0020408 k( 158) = ( 0.2990506 0.1726570 0.4883476), wk = 0.0020408 k( 159) = ( 0.2943038 0.1699164 0.4805961), wk = 0.0020408 k( 160) = ( 0.2895570 0.1671758 0.4728445), wk = 0.0020408 k( 161) = ( 0.2848101 0.1644352 0.4650930), wk = 0.0020408 k( 162) = ( 0.2800633 0.1616946 0.4573414), wk = 0.0020408 k( 163) = ( 0.2753165 0.1589540 0.4495899), wk = 0.0020408 k( 164) = ( 0.2705696 0.1562134 0.4418383), wk = 0.0020408 k( 165) = ( 0.2658228 0.1534729 0.4340868), wk = 0.0020408 k( 166) = ( 0.2610760 0.1507323 0.4263352), wk = 0.0020408 k( 167) = ( 0.2563291 0.1479917 0.4185837), wk = 0.0020408 k( 168) = ( 0.2515823 0.1452511 0.4108321), wk = 0.0020408 k( 169) = ( 0.2468354 0.1425105 0.4030806), wk = 0.0020408 k( 170) = ( 0.2420886 0.1397699 0.3953290), wk = 0.0020408 k( 171) = ( 0.2373418 0.1370293 0.3875775), wk = 0.0020408 k( 172) = ( 0.2325949 0.1342888 0.3798259), wk = 0.0020408 k( 173) = ( 0.2278481 0.1315482 0.3720744), wk = 0.0020408 k( 174) = ( 0.2231013 0.1288076 0.3643228), wk = 0.0020408 k( 175) = ( 0.2183544 0.1260670 0.3565713), wk = 0.0020408 k( 176) = ( 0.2136076 0.1233264 0.3488197), wk = 0.0020408 k( 177) = ( 0.2088608 0.1205858 0.3410682), wk = 0.0020408 k( 178) = ( 0.2041139 0.1178452 0.3333166), wk = 0.0020408 k( 179) = ( 0.1993671 0.1151046 0.3255651), wk = 0.0020408 k( 180) = ( 0.1946202 0.1123641 0.3178135), wk = 0.0020408 k( 181) = ( 0.1898734 0.1096235 0.3100620), wk = 0.0020408 k( 182) = ( 0.1851266 0.1068829 0.3023104), wk = 0.0020408 k( 183) = ( 0.1803798 0.1041423 0.2945589), wk = 0.0020408 k( 184) = ( 0.1756329 0.1014017 0.2868073), wk = 0.0020408 k( 185) = ( 0.1708861 0.0986611 0.2790558), wk = 0.0020408 k( 186) = ( 0.1661392 0.0959205 0.2713042), wk = 0.0020408 k( 187) = ( 0.1613924 0.0931800 0.2635527), wk = 0.0020408 k( 188) = ( 0.1566456 0.0904394 0.2558011), wk = 0.0020408 k( 189) = ( 0.1518987 0.0876988 0.2480496), wk = 0.0020408 k( 190) = ( 0.1471519 0.0849582 0.2402980), wk = 0.0020408 k( 191) = ( 0.1424051 0.0822176 0.2325465), wk = 0.0020408 k( 192) = ( 0.1376582 0.0794770 0.2247949), wk = 0.0020408 k( 193) = ( 0.1329114 0.0767364 0.2170434), wk = 0.0020408 k( 194) = ( 0.1281646 0.0739958 0.2092918), wk = 0.0020408 k( 195) = ( 0.1234177 0.0712553 0.2015403), wk = 0.0020408 k( 196) = ( 0.1186709 0.0685147 0.1937887), wk = 0.0020408 k( 197) = ( 0.1139240 0.0657741 0.1860372), wk = 0.0020408 k( 198) = ( 0.1091772 0.0630335 0.1782856), wk = 0.0020408 k( 199) = ( 0.1044304 0.0602929 0.1705341), wk = 0.0020408 k( 200) = ( 0.0996835 0.0575523 0.1627826), wk = 0.0020408 k( 201) = ( 0.0949367 0.0548117 0.1550310), wk = 0.0020408 k( 202) = ( 0.0901899 0.0520711 0.1472795), wk = 0.0020408 k( 203) = ( 0.0854430 0.0493306 0.1395279), wk = 0.0020408 k( 204) = ( 0.0806962 0.0465900 0.1317764), wk = 0.0020408 k( 205) = ( 0.0759494 0.0438494 0.1240248), wk = 0.0020408 k( 206) = ( 0.0712025 0.0411088 0.1162732), wk = 0.0020408 k( 207) = ( 0.0664557 0.0383682 0.1085217), wk = 0.0020408 k( 208) = ( 0.0617089 0.0356276 0.1007701), wk = 0.0020408 k( 209) = ( 0.0569620 0.0328870 0.0930186), wk = 0.0020408 k( 210) = ( 0.0522152 0.0301465 0.0852670), wk = 0.0020408 k( 211) = ( 0.0474683 0.0274059 0.0775155), wk = 0.0020408 k( 212) = ( 0.0427215 0.0246653 0.0697640), wk = 0.0020408 k( 213) = ( 0.0379747 0.0219247 0.0620124), wk = 0.0020408 k( 214) = ( 0.0332279 0.0191841 0.0542609), wk = 0.0020408 k( 215) = ( 0.0284810 0.0164435 0.0465093), wk = 0.0020408 k( 216) = ( 0.0237342 0.0137029 0.0387577), wk = 0.0020408 k( 217) = ( 0.0189873 0.0109623 0.0310062), wk = 0.0020408 k( 218) = ( 0.0142405 0.0082218 0.0232546), wk = 0.0020408 k( 219) = ( 0.0094937 0.0054812 0.0155031), wk = 0.0020408 k( 220) = ( 0.0047468 0.0027406 0.0077515), wk = 0.0020408 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 223) = ( 0.0078125 0.0045105 0.0031894), wk = 0.0020408 k( 224) = ( 0.0156250 0.0090211 0.0063789), wk = 0.0020408 k( 225) = ( 0.0234375 0.0135316 0.0095683), wk = 0.0020408 k( 226) = ( 0.0312500 0.0180422 0.0127578), wk = 0.0020408 k( 227) = ( 0.0390625 0.0225527 0.0159472), wk = 0.0020408 k( 228) = ( 0.0468750 0.0270633 0.0191366), wk = 0.0020408 k( 229) = ( 0.0546875 0.0315738 0.0223261), wk = 0.0020408 k( 230) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0020408 k( 231) = ( 0.0703125 0.0405949 0.0287050), wk = 0.0020408 k( 232) = ( 0.0781250 0.0451055 0.0318944), wk = 0.0020408 k( 233) = ( 0.0859375 0.0496160 0.0350838), wk = 0.0020408 k( 234) = ( 0.0937500 0.0541266 0.0382733), wk = 0.0020408 k( 235) = ( 0.1015625 0.0586371 0.0414627), wk = 0.0020408 k( 236) = ( 0.1093750 0.0631477 0.0446522), wk = 0.0020408 k( 237) = ( 0.1171875 0.0676582 0.0478416), wk = 0.0020408 k( 238) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0020408 k( 239) = ( 0.1328125 0.0766793 0.0542205), wk = 0.0020408 k( 240) = ( 0.1406250 0.0811899 0.0574099), wk = 0.0020408 k( 241) = ( 0.1484375 0.0857004 0.0605994), wk = 0.0020408 k( 242) = ( 0.1562500 0.0902110 0.0637888), wk = 0.0020408 k( 243) = ( 0.1640625 0.0947215 0.0669782), wk = 0.0020408 k( 244) = ( 0.1718750 0.0992321 0.0701677), wk = 0.0020408 k( 245) = ( 0.1796875 0.1037426 0.0733571), wk = 0.0020408 k( 246) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0020408 k( 247) = ( 0.1953125 0.1127637 0.0797360), wk = 0.0020408 k( 248) = ( 0.2031250 0.1172743 0.0829254), wk = 0.0020408 k( 249) = ( 0.2109375 0.1217848 0.0861149), wk = 0.0020408 k( 250) = ( 0.2187500 0.1262954 0.0893043), wk = 0.0020408 k( 251) = ( 0.2265625 0.1308059 0.0924938), wk = 0.0020408 k( 252) = ( 0.2343750 0.1353165 0.0956832), wk = 0.0020408 k( 253) = ( 0.2421875 0.1398270 0.0988726), wk = 0.0020408 k( 254) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0020408 k( 255) = ( 0.2578125 0.1488481 0.1052515), wk = 0.0020408 k( 256) = ( 0.2656250 0.1533587 0.1084410), wk = 0.0020408 k( 257) = ( 0.2734375 0.1578692 0.1116304), wk = 0.0020408 k( 258) = ( 0.2812500 0.1623798 0.1148198), wk = 0.0020408 k( 259) = ( 0.2890625 0.1668903 0.1180093), wk = 0.0020408 k( 260) = ( 0.2968750 0.1714009 0.1211987), wk = 0.0020408 k( 261) = ( 0.3046875 0.1759114 0.1243882), wk = 0.0020408 k( 262) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0020408 k( 263) = ( 0.3203125 0.1849325 0.1307670), wk = 0.0020408 k( 264) = ( 0.3281250 0.1894431 0.1339565), wk = 0.0020408 k( 265) = ( 0.3359375 0.1939536 0.1371459), wk = 0.0020408 k( 266) = ( 0.3437500 0.1984642 0.1403353), wk = 0.0020408 k( 267) = ( 0.3515625 0.2029747 0.1435248), wk = 0.0020408 k( 268) = ( 0.3593750 0.2074853 0.1467142), wk = 0.0020408 k( 269) = ( 0.3671875 0.2119958 0.1499037), wk = 0.0020408 k( 270) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0020408 k( 271) = ( 0.3828125 0.2210169 0.1562825), wk = 0.0020408 k( 272) = ( 0.3906250 0.2255274 0.1594720), wk = 0.0020408 k( 273) = ( 0.3984375 0.2300380 0.1626614), wk = 0.0020408 k( 274) = ( 0.4062500 0.2345485 0.1658509), wk = 0.0020408 k( 275) = ( 0.4140625 0.2390591 0.1690403), wk = 0.0020408 k( 276) = ( 0.4218750 0.2435696 0.1722297), wk = 0.0020408 k( 277) = ( 0.4296875 0.2480802 0.1754192), wk = 0.0020408 k( 278) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0020408 k( 279) = ( 0.4453125 0.2571013 0.1817981), wk = 0.0020408 k( 280) = ( 0.4531250 0.2616118 0.1849875), wk = 0.0020408 k( 281) = ( 0.4609375 0.2661224 0.1881769), wk = 0.0020408 k( 282) = ( 0.4687500 0.2706329 0.1913664), wk = 0.0020408 k( 283) = ( 0.4765625 0.2751435 0.1945558), wk = 0.0020408 k( 284) = ( 0.4843750 0.2796540 0.1977453), wk = 0.0020408 k( 285) = ( 0.4921875 0.2841646 0.2009347), wk = 0.0020408 k( 286) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020408 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020408 k( 288) = ( 0.5027174 0.2808307 0.2085616), wk = 0.0020408 k( 289) = ( 0.5054348 0.2729863 0.2129991), wk = 0.0020408 k( 290) = ( 0.5081522 0.2651418 0.2174366), wk = 0.0020408 k( 291) = ( 0.5108696 0.2572974 0.2218741), wk = 0.0020408 k( 292) = ( 0.5135870 0.2494530 0.2263116), wk = 0.0020408 k( 293) = ( 0.5163043 0.2416085 0.2307490), wk = 0.0020408 k( 294) = ( 0.5190217 0.2337641 0.2351865), wk = 0.0020408 k( 295) = ( 0.5217391 0.2259197 0.2396240), wk = 0.0020408 k( 296) = ( 0.5244565 0.2180752 0.2440615), wk = 0.0020408 k( 297) = ( 0.5271739 0.2102308 0.2484990), wk = 0.0020408 k( 298) = ( 0.5298913 0.2023864 0.2529364), wk = 0.0020408 k( 299) = ( 0.5326087 0.1945419 0.2573739), wk = 0.0020408 k( 300) = ( 0.5353261 0.1866975 0.2618114), wk = 0.0020408 k( 301) = ( 0.5380435 0.1788531 0.2662489), wk = 0.0020408 k( 302) = ( 0.5407609 0.1710086 0.2706864), wk = 0.0020408 k( 303) = ( 0.5434783 0.1631642 0.2751238), wk = 0.0020408 k( 304) = ( 0.5461957 0.1553198 0.2795613), wk = 0.0020408 k( 305) = ( 0.5489130 0.1474753 0.2839988), wk = 0.0020408 k( 306) = ( 0.5516304 0.1396309 0.2884363), wk = 0.0020408 k( 307) = ( 0.5543478 0.1317865 0.2928738), wk = 0.0020408 k( 308) = ( 0.5570652 0.1239420 0.2973113), wk = 0.0020408 k( 309) = ( 0.5597826 0.1160976 0.3017487), wk = 0.0020408 k( 310) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0020408 k( 311) = ( 0.5652174 0.1004087 0.3106237), wk = 0.0020408 k( 312) = ( 0.5679348 0.0925643 0.3150612), wk = 0.0020408 k( 313) = ( 0.5706522 0.0847199 0.3194987), wk = 0.0020408 k( 314) = ( 0.5733696 0.0768754 0.3239361), wk = 0.0020408 k( 315) = ( 0.5760870 0.0690310 0.3283736), wk = 0.0020408 k( 316) = ( 0.5788043 0.0611866 0.3328111), wk = 0.0020408 k( 317) = ( 0.5815217 0.0533421 0.3372486), wk = 0.0020408 k( 318) = ( 0.5842391 0.0454977 0.3416861), wk = 0.0020408 k( 319) = ( 0.5869565 0.0376533 0.3461235), wk = 0.0020408 k( 320) = ( 0.5896739 0.0298088 0.3505610), wk = 0.0020408 k( 321) = ( 0.5923913 0.0219644 0.3549985), wk = 0.0020408 k( 322) = ( 0.5951087 0.0141200 0.3594360), wk = 0.0020408 k( 323) = ( 0.5978261 0.0062755 0.3638735), wk = 0.0020408 k( 324) = ( 0.6005435 -0.0015689 0.3683110), wk = 0.0020408 k( 325) = ( 0.6032609 -0.0094133 0.3727484), wk = 0.0020408 k( 326) = ( 0.6059783 -0.0172578 0.3771859), wk = 0.0020408 k( 327) = ( 0.6086957 -0.0251022 0.3816234), wk = 0.0020408 k( 328) = ( 0.6114130 -0.0329466 0.3860609), wk = 0.0020408 k( 329) = ( 0.6141304 -0.0407910 0.3904984), wk = 0.0020408 k( 330) = ( 0.6168478 -0.0486355 0.3949358), wk = 0.0020408 k( 331) = ( 0.6195652 -0.0564799 0.3993733), wk = 0.0020408 k( 332) = ( 0.6222826 -0.0643244 0.4038108), wk = 0.0020408 k( 333) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020408 k( 334) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020408 k( 335) = ( 0.6203704 -0.0694959 0.4158084), wk = 0.0020408 k( 336) = ( 0.6157407 -0.0668229 0.4233686), wk = 0.0020408 k( 337) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0020408 k( 338) = ( 0.6064815 -0.0614771 0.4384889), wk = 0.0020408 k( 339) = ( 0.6018518 -0.0588042 0.4460491), wk = 0.0020408 k( 340) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0020408 k( 341) = ( 0.5925926 -0.0534584 0.4611694), wk = 0.0020408 k( 342) = ( 0.5879630 -0.0507854 0.4687295), wk = 0.0020408 k( 343) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0020408 k( 344) = ( 0.5787037 -0.0454396 0.4838498), wk = 0.0020408 k( 345) = ( 0.5740741 -0.0427667 0.4914100), wk = 0.0020408 k( 346) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0020408 k( 347) = ( 0.5648148 -0.0374208 0.5065303), wk = 0.0020408 k( 348) = ( 0.5601852 -0.0347479 0.5140904), wk = 0.0020408 k( 349) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0020408 k( 350) = ( 0.5509259 -0.0294021 0.5292107), wk = 0.0020408 k( 351) = ( 0.5462963 -0.0267292 0.5367709), wk = 0.0020408 k( 352) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0020408 k( 353) = ( 0.5370370 -0.0213833 0.5518912), wk = 0.0020408 k( 354) = ( 0.5324074 -0.0187104 0.5594514), wk = 0.0020408 k( 355) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0020408 k( 356) = ( 0.5231482 -0.0133646 0.5745717), wk = 0.0020408 k( 357) = ( 0.5185185 -0.0106917 0.5821318), wk = 0.0020408 k( 358) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0020408 k( 359) = ( 0.5092593 -0.0053458 0.5972521), wk = 0.0020408 k( 360) = ( 0.5046296 -0.0026729 0.6048123), wk = 0.0020408 k( 361) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020408 k( 362) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020408 k( 363) = ( 0.5000000 0.0054467 0.6046696), wk = 0.0020408 k( 364) = ( 0.5000000 0.0108934 0.5969668), wk = 0.0020408 k( 365) = ( 0.5000000 0.0163401 0.5892640), wk = 0.0020408 k( 366) = ( 0.5000000 0.0217868 0.5815613), wk = 0.0020408 k( 367) = ( 0.5000000 0.0272335 0.5738584), wk = 0.0020408 k( 368) = ( 0.5000000 0.0326802 0.5661556), wk = 0.0020408 k( 369) = ( 0.5000000 0.0381269 0.5584528), wk = 0.0020408 k( 370) = ( 0.5000000 0.0435736 0.5507501), wk = 0.0020408 k( 371) = ( 0.5000000 0.0490203 0.5430473), wk = 0.0020408 k( 372) = ( 0.5000000 0.0544670 0.5353445), wk = 0.0020408 k( 373) = ( 0.5000000 0.0599137 0.5276417), wk = 0.0020408 k( 374) = ( 0.5000000 0.0653604 0.5199389), wk = 0.0020408 k( 375) = ( 0.5000000 0.0708071 0.5122361), wk = 0.0020408 k( 376) = ( 0.5000000 0.0762538 0.5045333), wk = 0.0020408 k( 377) = ( 0.5000000 0.0817005 0.4968305), wk = 0.0020408 k( 378) = ( 0.5000000 0.0871472 0.4891277), wk = 0.0020408 k( 379) = ( 0.5000000 0.0925939 0.4814249), wk = 0.0020408 k( 380) = ( 0.5000000 0.0980406 0.4737221), wk = 0.0020408 k( 381) = ( 0.5000000 0.1034873 0.4660193), wk = 0.0020408 k( 382) = ( 0.5000000 0.1089340 0.4583165), wk = 0.0020408 k( 383) = ( 0.5000000 0.1143807 0.4506137), wk = 0.0020408 k( 384) = ( 0.5000000 0.1198274 0.4429109), wk = 0.0020408 k( 385) = ( 0.5000000 0.1252741 0.4352081), wk = 0.0020408 k( 386) = ( 0.5000000 0.1307208 0.4275053), wk = 0.0020408 k( 387) = ( 0.5000000 0.1361675 0.4198025), wk = 0.0020408 k( 388) = ( 0.5000000 0.1416142 0.4120997), wk = 0.0020408 k( 389) = ( 0.5000000 0.1470609 0.4043969), wk = 0.0020408 k( 390) = ( 0.5000000 0.1525076 0.3966941), wk = 0.0020408 k( 391) = ( 0.5000000 0.1579543 0.3889913), wk = 0.0020408 k( 392) = ( 0.5000000 0.1634010 0.3812885), wk = 0.0020408 k( 393) = ( 0.5000000 0.1688477 0.3735857), wk = 0.0020408 k( 394) = ( 0.5000000 0.1742944 0.3658829), wk = 0.0020408 k( 395) = ( 0.5000000 0.1797411 0.3581801), wk = 0.0020408 k( 396) = ( 0.5000000 0.1851878 0.3504773), wk = 0.0020408 k( 397) = ( 0.5000000 0.1906345 0.3427745), wk = 0.0020408 k( 398) = ( 0.5000000 0.1960812 0.3350717), wk = 0.0020408 k( 399) = ( 0.5000000 0.2015279 0.3273689), wk = 0.0020408 k( 400) = ( 0.5000000 0.2069746 0.3196661), wk = 0.0020408 k( 401) = ( 0.5000000 0.2124213 0.3119633), wk = 0.0020408 k( 402) = ( 0.5000000 0.2178680 0.3042605), wk = 0.0020408 k( 403) = ( 0.5000000 0.2233147 0.2965577), wk = 0.0020408 k( 404) = ( 0.5000000 0.2287614 0.2888549), wk = 0.0020408 k( 405) = ( 0.5000000 0.2342081 0.2811521), wk = 0.0020408 k( 406) = ( 0.5000000 0.2396548 0.2734493), wk = 0.0020408 k( 407) = ( 0.5000000 0.2451015 0.2657465), wk = 0.0020408 k( 408) = ( 0.5000000 0.2505482 0.2580437), wk = 0.0020408 k( 409) = ( 0.5000000 0.2559949 0.2503409), wk = 0.0020408 k( 410) = ( 0.5000000 0.2614416 0.2426381), wk = 0.0020408 k( 411) = ( 0.5000000 0.2668883 0.2349353), wk = 0.0020408 k( 412) = ( 0.5000000 0.2723350 0.2272325), wk = 0.0020408 k( 413) = ( 0.5000000 0.2777817 0.2195297), wk = 0.0020408 k( 414) = ( 0.5000000 0.2832284 0.2118269), wk = 0.0020408 k( 415) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020408 k( 416) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020408 k( 417) = ( 0.4972826 0.2871062 0.2129991), wk = 0.0020408 k( 418) = ( 0.4945652 0.2855374 0.2218741), wk = 0.0020408 k( 419) = ( 0.4918478 0.2839685 0.2307490), wk = 0.0020408 k( 420) = ( 0.4891304 0.2823996 0.2396240), wk = 0.0020408 k( 421) = ( 0.4864130 0.2808307 0.2484990), wk = 0.0020408 k( 422) = ( 0.4836956 0.2792618 0.2573739), wk = 0.0020408 k( 423) = ( 0.4809783 0.2776929 0.2662489), wk = 0.0020408 k( 424) = ( 0.4782609 0.2761240 0.2751238), wk = 0.0020408 k( 425) = ( 0.4755435 0.2745552 0.2839988), wk = 0.0020408 k( 426) = ( 0.4728261 0.2729863 0.2928738), wk = 0.0020408 k( 427) = ( 0.4701087 0.2714174 0.3017487), wk = 0.0020408 k( 428) = ( 0.4673913 0.2698485 0.3106237), wk = 0.0020408 k( 429) = ( 0.4646739 0.2682796 0.3194987), wk = 0.0020408 k( 430) = ( 0.4619565 0.2667107 0.3283736), wk = 0.0020408 k( 431) = ( 0.4592391 0.2651418 0.3372486), wk = 0.0020408 k( 432) = ( 0.4565217 0.2635729 0.3461235), wk = 0.0020408 k( 433) = ( 0.4538044 0.2620041 0.3549985), wk = 0.0020408 k( 434) = ( 0.4510870 0.2604352 0.3638735), wk = 0.0020408 k( 435) = ( 0.4483696 0.2588663 0.3727484), wk = 0.0020408 k( 436) = ( 0.4456522 0.2572974 0.3816234), wk = 0.0020408 k( 437) = ( 0.4429348 0.2557285 0.3904984), wk = 0.0020408 k( 438) = ( 0.4402174 0.2541596 0.3993733), wk = 0.0020408 k( 439) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0020408 k( 440) = ( 0.4347826 0.2510219 0.4171232), wk = 0.0020408 k( 441) = ( 0.4320652 0.2494530 0.4259982), wk = 0.0020408 k( 442) = ( 0.4293478 0.2478841 0.4348732), wk = 0.0020408 k( 443) = ( 0.4266304 0.2463152 0.4437481), wk = 0.0020408 k( 444) = ( 0.4239130 0.2447463 0.4526231), wk = 0.0020408 k( 445) = ( 0.4211956 0.2431774 0.4614981), wk = 0.0020408 k( 446) = ( 0.4184783 0.2416085 0.4703730), wk = 0.0020408 k( 447) = ( 0.4157609 0.2400397 0.4792480), wk = 0.0020408 k( 448) = ( 0.4130435 0.2384708 0.4881230), wk = 0.0020408 k( 449) = ( 0.4103261 0.2369019 0.4969979), wk = 0.0020408 k( 450) = ( 0.4076087 0.2353330 0.5058729), wk = 0.0020408 k( 451) = ( 0.4048913 0.2337641 0.5147478), wk = 0.0020408 k( 452) = ( 0.4021739 0.2321952 0.5236228), wk = 0.0020408 k( 453) = ( 0.3994565 0.2306263 0.5324978), wk = 0.0020408 k( 454) = ( 0.3967391 0.2290574 0.5413727), wk = 0.0020408 k( 455) = ( 0.3940217 0.2274886 0.5502477), wk = 0.0020408 k( 456) = ( 0.3913044 0.2259197 0.5591227), wk = 0.0020408 k( 457) = ( 0.3885870 0.2243508 0.5679976), wk = 0.0020408 k( 458) = ( 0.3858696 0.2227819 0.5768726), wk = 0.0020408 k( 459) = ( 0.3831522 0.2212130 0.5857475), wk = 0.0020408 k( 460) = ( 0.3804348 0.2196441 0.5946225), wk = 0.0020408 k( 461) = ( 0.3777174 0.2180752 0.6034975), wk = 0.0020408 k( 462) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020408 k( 463) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020408 k( 464) = ( 0.6203704 -0.0801875 0.4082483), wk = 0.0020408 k( 465) = ( 0.6157407 -0.0882063 0.4082483), wk = 0.0020408 k( 466) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0020408 k( 467) = ( 0.6064815 -0.1042438 0.4082483), wk = 0.0020408 k( 468) = ( 0.6018518 -0.1122626 0.4082483), wk = 0.0020408 k( 469) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0020408 k( 470) = ( 0.5925926 -0.1283001 0.4082483), wk = 0.0020408 k( 471) = ( 0.5879630 -0.1363188 0.4082483), wk = 0.0020408 k( 472) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0020408 k( 473) = ( 0.5787037 -0.1523563 0.4082483), wk = 0.0020408 k( 474) = ( 0.5740741 -0.1603751 0.4082483), wk = 0.0020408 k( 475) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0020408 k( 476) = ( 0.5648148 -0.1764126 0.4082483), wk = 0.0020408 k( 477) = ( 0.5601852 -0.1844313 0.4082483), wk = 0.0020408 k( 478) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0020408 k( 479) = ( 0.5509259 -0.2004688 0.4082483), wk = 0.0020408 k( 480) = ( 0.5462963 -0.2084876 0.4082483), wk = 0.0020408 k( 481) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0020408 k( 482) = ( 0.5370370 -0.2245251 0.4082483), wk = 0.0020408 k( 483) = ( 0.5324074 -0.2325439 0.4082483), wk = 0.0020408 k( 484) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0020408 k( 485) = ( 0.5231482 -0.2485814 0.4082483), wk = 0.0020408 k( 486) = ( 0.5185185 -0.2566001 0.4082483), wk = 0.0020408 k( 487) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0020408 k( 488) = ( 0.5092593 -0.2726376 0.4082483), wk = 0.0020408 k( 489) = ( 0.5046296 -0.2806564 0.4082483), wk = 0.0020408 k( 490) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020408 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 2) = ( 0.0067568 -0.0000000 0.0067568), wk = 0.0020408 k( 3) = ( 0.0135135 -0.0000000 0.0135135), wk = 0.0020408 k( 4) = ( 0.0202703 -0.0000000 0.0202703), wk = 0.0020408 k( 5) = ( 0.0270270 -0.0000000 0.0270270), wk = 0.0020408 k( 6) = ( 0.0337838 0.0000000 0.0337838), wk = 0.0020408 k( 7) = ( 0.0405405 -0.0000000 0.0405405), wk = 0.0020408 k( 8) = ( 0.0472973 -0.0000000 0.0472973), wk = 0.0020408 k( 9) = ( 0.0540540 -0.0000000 0.0540541), wk = 0.0020408 k( 10) = ( 0.0608108 -0.0000000 0.0608108), wk = 0.0020408 k( 11) = ( 0.0675676 0.0000000 0.0675676), wk = 0.0020408 k( 12) = ( 0.0743243 0.0000000 0.0743243), wk = 0.0020408 k( 13) = ( 0.0810811 -0.0000000 0.0810811), wk = 0.0020408 k( 14) = ( 0.0878378 0.0000000 0.0878378), wk = 0.0020408 k( 15) = ( 0.0945946 -0.0000000 0.0945946), wk = 0.0020408 k( 16) = ( 0.1013514 -0.0000000 0.1013514), wk = 0.0020408 k( 17) = ( 0.1081081 -0.0000000 0.1081081), wk = 0.0020408 k( 18) = ( 0.1148649 -0.0000000 0.1148649), wk = 0.0020408 k( 19) = ( 0.1216216 -0.0000000 0.1216216), wk = 0.0020408 k( 20) = ( 0.1283784 0.0000000 0.1283784), wk = 0.0020408 k( 21) = ( 0.1351351 0.0000000 0.1351351), wk = 0.0020408 k( 22) = ( 0.1418919 0.0000000 0.1418919), wk = 0.0020408 k( 23) = ( 0.1486486 0.0000000 0.1486486), wk = 0.0020408 k( 24) = ( 0.1554054 -0.0000000 0.1554054), wk = 0.0020408 k( 25) = ( 0.1621622 -0.0000000 0.1621622), wk = 0.0020408 k( 26) = ( 0.1689189 -0.0000000 0.1689189), wk = 0.0020408 k( 27) = ( 0.1756757 0.0000000 0.1756757), wk = 0.0020408 k( 28) = ( 0.1824324 0.0000000 0.1824324), wk = 0.0020408 k( 29) = ( 0.1891892 -0.0000000 0.1891892), wk = 0.0020408 k( 30) = ( 0.1959460 -0.0000000 0.1959460), wk = 0.0020408 k( 31) = ( 0.2027027 -0.0000000 0.2027027), wk = 0.0020408 k( 32) = ( 0.2094595 -0.0000000 0.2094595), wk = 0.0020408 k( 33) = ( 0.2162162 -0.0000000 0.2162162), wk = 0.0020408 k( 34) = ( 0.2229730 -0.0000000 0.2229730), wk = 0.0020408 k( 35) = ( 0.2297297 -0.0000000 0.2297297), wk = 0.0020408 k( 36) = ( 0.2364865 -0.0000000 0.2364865), wk = 0.0020408 k( 37) = ( 0.2432432 -0.0000000 0.2432432), wk = 0.0020408 k( 38) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0020408 k( 39) = ( 0.2567568 0.0000000 0.2567568), wk = 0.0020408 k( 40) = ( 0.2635135 0.0000000 0.2635135), wk = 0.0020408 k( 41) = ( 0.2702703 -0.0000000 0.2702703), wk = 0.0020408 k( 42) = ( 0.2770270 0.0000000 0.2770270), wk = 0.0020408 k( 43) = ( 0.2837838 0.0000000 0.2837838), wk = 0.0020408 k( 44) = ( 0.2905405 -0.0000000 0.2905405), wk = 0.0020408 k( 45) = ( 0.2972973 0.0000000 0.2972973), wk = 0.0020408 k( 46) = ( 0.3040541 0.0000000 0.3040541), wk = 0.0020408 k( 47) = ( 0.3108108 0.0000000 0.3108108), wk = 0.0020408 k( 48) = ( 0.3175676 -0.0000000 0.3175676), wk = 0.0020408 k( 49) = ( 0.3243243 -0.0000000 0.3243243), wk = 0.0020408 k( 50) = ( 0.3310811 0.0000000 0.3310811), wk = 0.0020408 k( 51) = ( 0.3378378 -0.0000000 0.3378378), wk = 0.0020408 k( 52) = ( 0.3445946 -0.0000000 0.3445946), wk = 0.0020408 k( 53) = ( 0.3513514 -0.0000000 0.3513514), wk = 0.0020408 k( 54) = ( 0.3581081 0.0000000 0.3581081), wk = 0.0020408 k( 55) = ( 0.3648649 0.0000000 0.3648649), wk = 0.0020408 k( 56) = ( 0.3716216 -0.0000000 0.3716216), wk = 0.0020408 k( 57) = ( 0.3783784 -0.0000000 0.3783784), wk = 0.0020408 k( 58) = ( 0.3851351 -0.0000000 0.3851351), wk = 0.0020408 k( 59) = ( 0.3918919 -0.0000000 0.3918919), wk = 0.0020408 k( 60) = ( 0.3986486 -0.0000000 0.3986487), wk = 0.0020408 k( 61) = ( 0.4054054 -0.0000000 0.4054054), wk = 0.0020408 k( 62) = ( 0.4121622 -0.0000000 0.4121622), wk = 0.0020408 k( 63) = ( 0.4189189 -0.0000000 0.4189189), wk = 0.0020408 k( 64) = ( 0.4256757 -0.0000000 0.4256757), wk = 0.0020408 k( 65) = ( 0.4324324 -0.0000000 0.4324324), wk = 0.0020408 k( 66) = ( 0.4391892 -0.0000000 0.4391892), wk = 0.0020408 k( 67) = ( 0.4459459 -0.0000000 0.4459460), wk = 0.0020408 k( 68) = ( 0.4527027 -0.0000000 0.4527027), wk = 0.0020408 k( 69) = ( 0.4594595 -0.0000000 0.4594595), wk = 0.0020408 k( 70) = ( 0.4662162 -0.0000000 0.4662162), wk = 0.0020408 k( 71) = ( 0.4729730 -0.0000000 0.4729730), wk = 0.0020408 k( 72) = ( 0.4797297 -0.0000000 0.4797297), wk = 0.0020408 k( 73) = ( 0.4864865 -0.0000000 0.4864865), wk = 0.0020408 k( 74) = ( 0.4932432 -0.0000000 0.4932432), wk = 0.0020408 k( 75) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020408 k( 76) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020408 k( 77) = ( 0.5000000 0.0067568 0.5067568), wk = 0.0020408 k( 78) = ( 0.5000000 0.0135135 0.5135135), wk = 0.0020408 k( 79) = ( 0.5000000 0.0202703 0.5202703), wk = 0.0020408 k( 80) = ( 0.5000000 0.0270270 0.5270270), wk = 0.0020408 k( 81) = ( 0.5000000 0.0337838 0.5337838), wk = 0.0020408 k( 82) = ( 0.5000000 0.0405405 0.5405405), wk = 0.0020408 k( 83) = ( 0.5000000 0.0472973 0.5472973), wk = 0.0020408 k( 84) = ( 0.5000000 0.0540540 0.5540541), wk = 0.0020408 k( 85) = ( 0.5000000 0.0608108 0.5608108), wk = 0.0020408 k( 86) = ( 0.5000000 0.0675676 0.5675676), wk = 0.0020408 k( 87) = ( 0.5000000 0.0743243 0.5743243), wk = 0.0020408 k( 88) = ( 0.5000000 0.0810811 0.5810811), wk = 0.0020408 k( 89) = ( 0.5000000 0.0878378 0.5878378), wk = 0.0020408 k( 90) = ( 0.5000000 0.0945946 0.5945946), wk = 0.0020408 k( 91) = ( 0.5000000 0.1013514 0.6013514), wk = 0.0020408 k( 92) = ( 0.5000000 0.1081081 0.6081081), wk = 0.0020408 k( 93) = ( 0.5000000 0.1148649 0.6148649), wk = 0.0020408 k( 94) = ( 0.5000000 0.1216216 0.6216216), wk = 0.0020408 k( 95) = ( 0.5000000 0.1283784 0.6283784), wk = 0.0020408 k( 96) = ( 0.5000000 0.1351351 0.6351351), wk = 0.0020408 k( 97) = ( 0.5000000 0.1418919 0.6418919), wk = 0.0020408 k( 98) = ( 0.5000000 0.1486486 0.6486487), wk = 0.0020408 k( 99) = ( 0.5000000 0.1554054 0.6554054), wk = 0.0020408 k( 100) = ( 0.5000000 0.1621622 0.6621622), wk = 0.0020408 k( 101) = ( 0.5000000 0.1689189 0.6689189), wk = 0.0020408 k( 102) = ( 0.5000000 0.1756757 0.6756757), wk = 0.0020408 k( 103) = ( 0.5000000 0.1824324 0.6824324), wk = 0.0020408 k( 104) = ( 0.5000000 0.1891892 0.6891892), wk = 0.0020408 k( 105) = ( 0.5000000 0.1959460 0.6959460), wk = 0.0020408 k( 106) = ( 0.5000000 0.2027027 0.7027027), wk = 0.0020408 k( 107) = ( 0.5000000 0.2094595 0.7094595), wk = 0.0020408 k( 108) = ( 0.5000000 0.2162162 0.7162162), wk = 0.0020408 k( 109) = ( 0.5000000 0.2229730 0.7229730), wk = 0.0020408 k( 110) = ( 0.5000000 0.2297297 0.7297297), wk = 0.0020408 k( 111) = ( 0.5000000 0.2364865 0.7364865), wk = 0.0020408 k( 112) = ( 0.5000000 0.2432432 0.7432432), wk = 0.0020408 k( 113) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020408 k( 114) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020408 k( 115) = ( 0.4953704 0.2546296 0.7500000), wk = 0.0020408 k( 116) = ( 0.4907407 0.2592593 0.7500000), wk = 0.0020408 k( 117) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0020408 k( 118) = ( 0.4814815 0.2685185 0.7500000), wk = 0.0020408 k( 119) = ( 0.4768519 0.2731481 0.7500000), wk = 0.0020408 k( 120) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0020408 k( 121) = ( 0.4675926 0.2824074 0.7500000), wk = 0.0020408 k( 122) = ( 0.4629630 0.2870370 0.7500000), wk = 0.0020408 k( 123) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0020408 k( 124) = ( 0.4537037 0.2962963 0.7500000), wk = 0.0020408 k( 125) = ( 0.4490741 0.3009259 0.7500000), wk = 0.0020408 k( 126) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0020408 k( 127) = ( 0.4398148 0.3101852 0.7500000), wk = 0.0020408 k( 128) = ( 0.4351852 0.3148148 0.7500000), wk = 0.0020408 k( 129) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0020408 k( 130) = ( 0.4259259 0.3240741 0.7500000), wk = 0.0020408 k( 131) = ( 0.4212963 0.3287037 0.7500000), wk = 0.0020408 k( 132) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0020408 k( 133) = ( 0.4120370 0.3379630 0.7500000), wk = 0.0020408 k( 134) = ( 0.4074074 0.3425926 0.7500000), wk = 0.0020408 k( 135) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0020408 k( 136) = ( 0.3981481 0.3518519 0.7500000), wk = 0.0020408 k( 137) = ( 0.3935185 0.3564815 0.7500000), wk = 0.0020408 k( 138) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0020408 k( 139) = ( 0.3842593 0.3657407 0.7500000), wk = 0.0020408 k( 140) = ( 0.3796296 0.3703704 0.7500000), wk = 0.0020408 k( 141) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020408 k( 142) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020408 k( 143) = ( 0.3702532 0.3702532 0.7405063), wk = 0.0020408 k( 144) = ( 0.3655063 0.3655063 0.7310127), wk = 0.0020408 k( 145) = ( 0.3607595 0.3607595 0.7215190), wk = 0.0020408 k( 146) = ( 0.3560127 0.3560127 0.7120253), wk = 0.0020408 k( 147) = ( 0.3512658 0.3512658 0.7025317), wk = 0.0020408 k( 148) = ( 0.3465190 0.3465190 0.6930380), wk = 0.0020408 k( 149) = ( 0.3417721 0.3417721 0.6835443), wk = 0.0020408 k( 150) = ( 0.3370253 0.3370253 0.6740506), wk = 0.0020408 k( 151) = ( 0.3322785 0.3322785 0.6645570), wk = 0.0020408 k( 152) = ( 0.3275317 0.3275317 0.6550633), wk = 0.0020408 k( 153) = ( 0.3227848 0.3227848 0.6455696), wk = 0.0020408 k( 154) = ( 0.3180380 0.3180380 0.6360760), wk = 0.0020408 k( 155) = ( 0.3132911 0.3132911 0.6265823), wk = 0.0020408 k( 156) = ( 0.3085443 0.3085443 0.6170886), wk = 0.0020408 k( 157) = ( 0.3037975 0.3037975 0.6075949), wk = 0.0020408 k( 158) = ( 0.2990506 0.2990506 0.5981013), wk = 0.0020408 k( 159) = ( 0.2943038 0.2943038 0.5886076), wk = 0.0020408 k( 160) = ( 0.2895570 0.2895570 0.5791139), wk = 0.0020408 k( 161) = ( 0.2848101 0.2848101 0.5696203), wk = 0.0020408 k( 162) = ( 0.2800633 0.2800633 0.5601266), wk = 0.0020408 k( 163) = ( 0.2753165 0.2753165 0.5506329), wk = 0.0020408 k( 164) = ( 0.2705696 0.2705696 0.5411392), wk = 0.0020408 k( 165) = ( 0.2658228 0.2658228 0.5316456), wk = 0.0020408 k( 166) = ( 0.2610760 0.2610760 0.5221519), wk = 0.0020408 k( 167) = ( 0.2563291 0.2563291 0.5126582), wk = 0.0020408 k( 168) = ( 0.2515823 0.2515823 0.5031646), wk = 0.0020408 k( 169) = ( 0.2468354 0.2468354 0.4936709), wk = 0.0020408 k( 170) = ( 0.2420886 0.2420886 0.4841772), wk = 0.0020408 k( 171) = ( 0.2373418 0.2373418 0.4746835), wk = 0.0020408 k( 172) = ( 0.2325949 0.2325949 0.4651899), wk = 0.0020408 k( 173) = ( 0.2278481 0.2278481 0.4556962), wk = 0.0020408 k( 174) = ( 0.2231013 0.2231013 0.4462025), wk = 0.0020408 k( 175) = ( 0.2183544 0.2183544 0.4367089), wk = 0.0020408 k( 176) = ( 0.2136076 0.2136076 0.4272152), wk = 0.0020408 k( 177) = ( 0.2088608 0.2088608 0.4177215), wk = 0.0020408 k( 178) = ( 0.2041139 0.2041139 0.4082279), wk = 0.0020408 k( 179) = ( 0.1993671 0.1993671 0.3987342), wk = 0.0020408 k( 180) = ( 0.1946202 0.1946203 0.3892405), wk = 0.0020408 k( 181) = ( 0.1898734 0.1898734 0.3797468), wk = 0.0020408 k( 182) = ( 0.1851266 0.1851266 0.3702532), wk = 0.0020408 k( 183) = ( 0.1803798 0.1803798 0.3607595), wk = 0.0020408 k( 184) = ( 0.1756329 0.1756329 0.3512658), wk = 0.0020408 k( 185) = ( 0.1708861 0.1708861 0.3417721), wk = 0.0020408 k( 186) = ( 0.1661392 0.1661392 0.3322785), wk = 0.0020408 k( 187) = ( 0.1613924 0.1613924 0.3227848), wk = 0.0020408 k( 188) = ( 0.1566456 0.1566456 0.3132911), wk = 0.0020408 k( 189) = ( 0.1518987 0.1518987 0.3037975), wk = 0.0020408 k( 190) = ( 0.1471519 0.1471519 0.2943038), wk = 0.0020408 k( 191) = ( 0.1424051 0.1424051 0.2848101), wk = 0.0020408 k( 192) = ( 0.1376582 0.1376582 0.2753165), wk = 0.0020408 k( 193) = ( 0.1329114 0.1329114 0.2658228), wk = 0.0020408 k( 194) = ( 0.1281646 0.1281646 0.2563291), wk = 0.0020408 k( 195) = ( 0.1234177 0.1234177 0.2468354), wk = 0.0020408 k( 196) = ( 0.1186709 0.1186709 0.2373418), wk = 0.0020408 k( 197) = ( 0.1139240 0.1139240 0.2278481), wk = 0.0020408 k( 198) = ( 0.1091772 0.1091772 0.2183544), wk = 0.0020408 k( 199) = ( 0.1044304 0.1044304 0.2088608), wk = 0.0020408 k( 200) = ( 0.0996835 0.0996835 0.1993671), wk = 0.0020408 k( 201) = ( 0.0949367 0.0949367 0.1898734), wk = 0.0020408 k( 202) = ( 0.0901899 0.0901899 0.1803798), wk = 0.0020408 k( 203) = ( 0.0854430 0.0854430 0.1708861), wk = 0.0020408 k( 204) = ( 0.0806962 0.0806962 0.1613924), wk = 0.0020408 k( 205) = ( 0.0759494 0.0759494 0.1518987), wk = 0.0020408 k( 206) = ( 0.0712025 0.0712025 0.1424051), wk = 0.0020408 k( 207) = ( 0.0664557 0.0664557 0.1329114), wk = 0.0020408 k( 208) = ( 0.0617089 0.0617089 0.1234177), wk = 0.0020408 k( 209) = ( 0.0569620 0.0569620 0.1139240), wk = 0.0020408 k( 210) = ( 0.0522152 0.0522152 0.1044304), wk = 0.0020408 k( 211) = ( 0.0474683 0.0474683 0.0949367), wk = 0.0020408 k( 212) = ( 0.0427215 0.0427215 0.0854430), wk = 0.0020408 k( 213) = ( 0.0379747 0.0379747 0.0759494), wk = 0.0020408 k( 214) = ( 0.0332279 0.0332279 0.0664557), wk = 0.0020408 k( 215) = ( 0.0284810 0.0284810 0.0569620), wk = 0.0020408 k( 216) = ( 0.0237342 0.0237342 0.0474684), wk = 0.0020408 k( 217) = ( 0.0189873 0.0189873 0.0379747), wk = 0.0020408 k( 218) = ( 0.0142405 0.0142405 0.0284810), wk = 0.0020408 k( 219) = ( 0.0094937 0.0094937 0.0189873), wk = 0.0020408 k( 220) = ( 0.0047468 0.0047468 0.0094937), wk = 0.0020408 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 223) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0020408 k( 224) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0020408 k( 225) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0020408 k( 226) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0020408 k( 227) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0020408 k( 228) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0020408 k( 229) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0020408 k( 230) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0020408 k( 231) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0020408 k( 232) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0020408 k( 233) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0020408 k( 234) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0020408 k( 235) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0020408 k( 236) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0020408 k( 237) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0020408 k( 238) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0020408 k( 239) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0020408 k( 240) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0020408 k( 241) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0020408 k( 242) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0020408 k( 243) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0020408 k( 244) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0020408 k( 245) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0020408 k( 246) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0020408 k( 247) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0020408 k( 248) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0020408 k( 249) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0020408 k( 250) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0020408 k( 251) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0020408 k( 252) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0020408 k( 253) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0020408 k( 254) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020408 k( 255) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0020408 k( 256) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0020408 k( 257) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0020408 k( 258) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0020408 k( 259) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0020408 k( 260) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0020408 k( 261) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0020408 k( 262) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0020408 k( 263) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0020408 k( 264) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0020408 k( 265) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0020408 k( 266) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0020408 k( 267) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0020408 k( 268) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0020408 k( 269) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0020408 k( 270) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0020408 k( 271) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0020408 k( 272) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0020408 k( 273) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0020408 k( 274) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0020408 k( 275) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0020408 k( 276) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0020408 k( 277) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0020408 k( 278) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0020408 k( 279) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0020408 k( 280) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0020408 k( 281) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0020408 k( 282) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0020408 k( 283) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0020408 k( 284) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0020408 k( 285) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0020408 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020408 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020408 k( 288) = ( 0.5027174 0.4945652 0.5027174), wk = 0.0020408 k( 289) = ( 0.5054348 0.4891304 0.5054348), wk = 0.0020408 k( 290) = ( 0.5081522 0.4836956 0.5081522), wk = 0.0020408 k( 291) = ( 0.5108696 0.4782609 0.5108696), wk = 0.0020408 k( 292) = ( 0.5135870 0.4728261 0.5135870), wk = 0.0020408 k( 293) = ( 0.5163043 0.4673913 0.5163044), wk = 0.0020408 k( 294) = ( 0.5190217 0.4619565 0.5190217), wk = 0.0020408 k( 295) = ( 0.5217391 0.4565217 0.5217391), wk = 0.0020408 k( 296) = ( 0.5244565 0.4510870 0.5244565), wk = 0.0020408 k( 297) = ( 0.5271739 0.4456522 0.5271739), wk = 0.0020408 k( 298) = ( 0.5298913 0.4402174 0.5298913), wk = 0.0020408 k( 299) = ( 0.5326087 0.4347826 0.5326087), wk = 0.0020408 k( 300) = ( 0.5353261 0.4293478 0.5353261), wk = 0.0020408 k( 301) = ( 0.5380435 0.4239130 0.5380435), wk = 0.0020408 k( 302) = ( 0.5407609 0.4184783 0.5407609), wk = 0.0020408 k( 303) = ( 0.5434783 0.4130435 0.5434783), wk = 0.0020408 k( 304) = ( 0.5461957 0.4076087 0.5461957), wk = 0.0020408 k( 305) = ( 0.5489130 0.4021739 0.5489130), wk = 0.0020408 k( 306) = ( 0.5516304 0.3967391 0.5516304), wk = 0.0020408 k( 307) = ( 0.5543478 0.3913044 0.5543478), wk = 0.0020408 k( 308) = ( 0.5570652 0.3858696 0.5570652), wk = 0.0020408 k( 309) = ( 0.5597826 0.3804348 0.5597826), wk = 0.0020408 k( 310) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0020408 k( 311) = ( 0.5652174 0.3695652 0.5652174), wk = 0.0020408 k( 312) = ( 0.5679348 0.3641304 0.5679348), wk = 0.0020408 k( 313) = ( 0.5706522 0.3586956 0.5706522), wk = 0.0020408 k( 314) = ( 0.5733696 0.3532609 0.5733696), wk = 0.0020408 k( 315) = ( 0.5760870 0.3478261 0.5760870), wk = 0.0020408 k( 316) = ( 0.5788043 0.3423913 0.5788043), wk = 0.0020408 k( 317) = ( 0.5815217 0.3369565 0.5815217), wk = 0.0020408 k( 318) = ( 0.5842391 0.3315217 0.5842391), wk = 0.0020408 k( 319) = ( 0.5869565 0.3260870 0.5869565), wk = 0.0020408 k( 320) = ( 0.5896739 0.3206522 0.5896739), wk = 0.0020408 k( 321) = ( 0.5923913 0.3152174 0.5923913), wk = 0.0020408 k( 322) = ( 0.5951087 0.3097826 0.5951087), wk = 0.0020408 k( 323) = ( 0.5978261 0.3043478 0.5978261), wk = 0.0020408 k( 324) = ( 0.6005435 0.2989130 0.6005435), wk = 0.0020408 k( 325) = ( 0.6032609 0.2934783 0.6032609), wk = 0.0020408 k( 326) = ( 0.6059783 0.2880435 0.6059783), wk = 0.0020408 k( 327) = ( 0.6086957 0.2826087 0.6086957), wk = 0.0020408 k( 328) = ( 0.6114130 0.2771739 0.6114130), wk = 0.0020408 k( 329) = ( 0.6141304 0.2717391 0.6141304), wk = 0.0020408 k( 330) = ( 0.6168478 0.2663044 0.6168478), wk = 0.0020408 k( 331) = ( 0.6195652 0.2608696 0.6195652), wk = 0.0020408 k( 332) = ( 0.6222826 0.2554348 0.6222826), wk = 0.0020408 k( 333) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020408 k( 334) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020408 k( 335) = ( 0.6203704 0.2500000 0.6296296), wk = 0.0020408 k( 336) = ( 0.6157407 0.2500000 0.6342593), wk = 0.0020408 k( 337) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0020408 k( 338) = ( 0.6064815 0.2500000 0.6435185), wk = 0.0020408 k( 339) = ( 0.6018518 0.2500000 0.6481482), wk = 0.0020408 k( 340) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0020408 k( 341) = ( 0.5925926 0.2500000 0.6574074), wk = 0.0020408 k( 342) = ( 0.5879630 0.2500000 0.6620370), wk = 0.0020408 k( 343) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0020408 k( 344) = ( 0.5787037 0.2500000 0.6712963), wk = 0.0020408 k( 345) = ( 0.5740741 0.2500000 0.6759259), wk = 0.0020408 k( 346) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0020408 k( 347) = ( 0.5648148 0.2500000 0.6851852), wk = 0.0020408 k( 348) = ( 0.5601852 0.2500000 0.6898148), wk = 0.0020408 k( 349) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0020408 k( 350) = ( 0.5509259 0.2500000 0.6990741), wk = 0.0020408 k( 351) = ( 0.5462963 0.2500000 0.7037037), wk = 0.0020408 k( 352) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0020408 k( 353) = ( 0.5370370 0.2500000 0.7129630), wk = 0.0020408 k( 354) = ( 0.5324074 0.2500000 0.7175926), wk = 0.0020408 k( 355) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0020408 k( 356) = ( 0.5231482 0.2500000 0.7268518), wk = 0.0020408 k( 357) = ( 0.5185185 0.2500000 0.7314815), wk = 0.0020408 k( 358) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0020408 k( 359) = ( 0.5092593 0.2500000 0.7407407), wk = 0.0020408 k( 360) = ( 0.5046296 0.2500000 0.7453704), wk = 0.0020408 k( 361) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020408 k( 362) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020408 k( 363) = ( 0.5000000 0.2547170 0.7452830), wk = 0.0020408 k( 364) = ( 0.5000000 0.2594340 0.7405660), wk = 0.0020408 k( 365) = ( 0.5000000 0.2641509 0.7358491), wk = 0.0020408 k( 366) = ( 0.5000000 0.2688679 0.7311321), wk = 0.0020408 k( 367) = ( 0.5000000 0.2735849 0.7264151), wk = 0.0020408 k( 368) = ( 0.5000000 0.2783019 0.7216981), wk = 0.0020408 k( 369) = ( 0.5000000 0.2830189 0.7169811), wk = 0.0020408 k( 370) = ( 0.5000000 0.2877359 0.7122642), wk = 0.0020408 k( 371) = ( 0.5000000 0.2924528 0.7075472), wk = 0.0020408 k( 372) = ( 0.5000000 0.2971698 0.7028302), wk = 0.0020408 k( 373) = ( 0.5000000 0.3018868 0.6981132), wk = 0.0020408 k( 374) = ( 0.5000000 0.3066038 0.6933962), wk = 0.0020408 k( 375) = ( 0.5000000 0.3113207 0.6886792), wk = 0.0020408 k( 376) = ( 0.5000000 0.3160377 0.6839623), wk = 0.0020408 k( 377) = ( 0.5000000 0.3207547 0.6792453), wk = 0.0020408 k( 378) = ( 0.5000000 0.3254717 0.6745283), wk = 0.0020408 k( 379) = ( 0.5000000 0.3301887 0.6698113), wk = 0.0020408 k( 380) = ( 0.5000000 0.3349057 0.6650943), wk = 0.0020408 k( 381) = ( 0.5000000 0.3396226 0.6603774), wk = 0.0020408 k( 382) = ( 0.5000000 0.3443396 0.6556604), wk = 0.0020408 k( 383) = ( 0.5000000 0.3490566 0.6509434), wk = 0.0020408 k( 384) = ( 0.5000000 0.3537736 0.6462264), wk = 0.0020408 k( 385) = ( 0.5000000 0.3584906 0.6415094), wk = 0.0020408 k( 386) = ( 0.5000000 0.3632076 0.6367925), wk = 0.0020408 k( 387) = ( 0.5000000 0.3679245 0.6320755), wk = 0.0020408 k( 388) = ( 0.5000000 0.3726415 0.6273585), wk = 0.0020408 k( 389) = ( 0.5000000 0.3773585 0.6226415), wk = 0.0020408 k( 390) = ( 0.5000000 0.3820755 0.6179245), wk = 0.0020408 k( 391) = ( 0.5000000 0.3867925 0.6132076), wk = 0.0020408 k( 392) = ( 0.5000000 0.3915094 0.6084906), wk = 0.0020408 k( 393) = ( 0.5000000 0.3962264 0.6037736), wk = 0.0020408 k( 394) = ( 0.5000000 0.4009434 0.5990566), wk = 0.0020408 k( 395) = ( 0.5000000 0.4056604 0.5943396), wk = 0.0020408 k( 396) = ( 0.5000000 0.4103774 0.5896226), wk = 0.0020408 k( 397) = ( 0.5000000 0.4150943 0.5849057), wk = 0.0020408 k( 398) = ( 0.5000000 0.4198113 0.5801887), wk = 0.0020408 k( 399) = ( 0.5000000 0.4245283 0.5754717), wk = 0.0020408 k( 400) = ( 0.5000000 0.4292453 0.5707547), wk = 0.0020408 k( 401) = ( 0.5000000 0.4339623 0.5660377), wk = 0.0020408 k( 402) = ( 0.5000000 0.4386793 0.5613208), wk = 0.0020408 k( 403) = ( 0.5000000 0.4433962 0.5566038), wk = 0.0020408 k( 404) = ( 0.5000000 0.4481132 0.5518868), wk = 0.0020408 k( 405) = ( 0.5000000 0.4528302 0.5471698), wk = 0.0020408 k( 406) = ( 0.5000000 0.4575472 0.5424528), wk = 0.0020408 k( 407) = ( 0.5000000 0.4622642 0.5377359), wk = 0.0020408 k( 408) = ( 0.5000000 0.4669811 0.5330189), wk = 0.0020408 k( 409) = ( 0.5000000 0.4716981 0.5283019), wk = 0.0020408 k( 410) = ( 0.5000000 0.4764151 0.5235849), wk = 0.0020408 k( 411) = ( 0.5000000 0.4811321 0.5188679), wk = 0.0020408 k( 412) = ( 0.5000000 0.4858491 0.5141509), wk = 0.0020408 k( 413) = ( 0.5000000 0.4905660 0.5094340), wk = 0.0020408 k( 414) = ( 0.5000000 0.4952830 0.5047170), wk = 0.0020408 k( 415) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020408 k( 416) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020408 k( 417) = ( 0.4972826 0.4972826 0.5054348), wk = 0.0020408 k( 418) = ( 0.4945652 0.4945652 0.5108696), wk = 0.0020408 k( 419) = ( 0.4918478 0.4918478 0.5163044), wk = 0.0020408 k( 420) = ( 0.4891304 0.4891304 0.5217391), wk = 0.0020408 k( 421) = ( 0.4864130 0.4864130 0.5271739), wk = 0.0020408 k( 422) = ( 0.4836956 0.4836956 0.5326087), wk = 0.0020408 k( 423) = ( 0.4809783 0.4809783 0.5380435), wk = 0.0020408 k( 424) = ( 0.4782609 0.4782609 0.5434783), wk = 0.0020408 k( 425) = ( 0.4755435 0.4755435 0.5489130), wk = 0.0020408 k( 426) = ( 0.4728261 0.4728261 0.5543478), wk = 0.0020408 k( 427) = ( 0.4701087 0.4701087 0.5597826), wk = 0.0020408 k( 428) = ( 0.4673913 0.4673913 0.5652174), wk = 0.0020408 k( 429) = ( 0.4646739 0.4646739 0.5706522), wk = 0.0020408 k( 430) = ( 0.4619565 0.4619565 0.5760870), wk = 0.0020408 k( 431) = ( 0.4592391 0.4592391 0.5815217), wk = 0.0020408 k( 432) = ( 0.4565217 0.4565217 0.5869565), wk = 0.0020408 k( 433) = ( 0.4538044 0.4538044 0.5923913), wk = 0.0020408 k( 434) = ( 0.4510870 0.4510870 0.5978261), wk = 0.0020408 k( 435) = ( 0.4483696 0.4483696 0.6032609), wk = 0.0020408 k( 436) = ( 0.4456522 0.4456522 0.6086957), wk = 0.0020408 k( 437) = ( 0.4429348 0.4429348 0.6141304), wk = 0.0020408 k( 438) = ( 0.4402174 0.4402174 0.6195652), wk = 0.0020408 k( 439) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0020408 k( 440) = ( 0.4347826 0.4347826 0.6304348), wk = 0.0020408 k( 441) = ( 0.4320652 0.4320652 0.6358696), wk = 0.0020408 k( 442) = ( 0.4293478 0.4293478 0.6413044), wk = 0.0020408 k( 443) = ( 0.4266304 0.4266304 0.6467391), wk = 0.0020408 k( 444) = ( 0.4239130 0.4239130 0.6521739), wk = 0.0020408 k( 445) = ( 0.4211956 0.4211956 0.6576087), wk = 0.0020408 k( 446) = ( 0.4184783 0.4184783 0.6630435), wk = 0.0020408 k( 447) = ( 0.4157609 0.4157609 0.6684783), wk = 0.0020408 k( 448) = ( 0.4130435 0.4130435 0.6739130), wk = 0.0020408 k( 449) = ( 0.4103261 0.4103261 0.6793478), wk = 0.0020408 k( 450) = ( 0.4076087 0.4076087 0.6847826), wk = 0.0020408 k( 451) = ( 0.4048913 0.4048913 0.6902174), wk = 0.0020408 k( 452) = ( 0.4021739 0.4021739 0.6956522), wk = 0.0020408 k( 453) = ( 0.3994565 0.3994565 0.7010870), wk = 0.0020408 k( 454) = ( 0.3967391 0.3967391 0.7065217), wk = 0.0020408 k( 455) = ( 0.3940217 0.3940217 0.7119565), wk = 0.0020408 k( 456) = ( 0.3913044 0.3913044 0.7173913), wk = 0.0020408 k( 457) = ( 0.3885870 0.3885870 0.7228261), wk = 0.0020408 k( 458) = ( 0.3858696 0.3858696 0.7282609), wk = 0.0020408 k( 459) = ( 0.3831522 0.3831522 0.7336957), wk = 0.0020408 k( 460) = ( 0.3804348 0.3804348 0.7391304), wk = 0.0020408 k( 461) = ( 0.3777174 0.3777174 0.7445652), wk = 0.0020408 k( 462) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020408 k( 463) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020408 k( 464) = ( 0.6203704 0.2407407 0.6203704), wk = 0.0020408 k( 465) = ( 0.6157407 0.2314815 0.6157407), wk = 0.0020408 k( 466) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0020408 k( 467) = ( 0.6064815 0.2129630 0.6064815), wk = 0.0020408 k( 468) = ( 0.6018518 0.2037037 0.6018519), wk = 0.0020408 k( 469) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0020408 k( 470) = ( 0.5925926 0.1851852 0.5925926), wk = 0.0020408 k( 471) = ( 0.5879630 0.1759259 0.5879630), wk = 0.0020408 k( 472) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0020408 k( 473) = ( 0.5787037 0.1574074 0.5787037), wk = 0.0020408 k( 474) = ( 0.5740741 0.1481482 0.5740741), wk = 0.0020408 k( 475) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0020408 k( 476) = ( 0.5648148 0.1296296 0.5648148), wk = 0.0020408 k( 477) = ( 0.5601852 0.1203704 0.5601852), wk = 0.0020408 k( 478) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0020408 k( 479) = ( 0.5509259 0.1018518 0.5509259), wk = 0.0020408 k( 480) = ( 0.5462963 0.0925926 0.5462963), wk = 0.0020408 k( 481) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0020408 k( 482) = ( 0.5370370 0.0740741 0.5370370), wk = 0.0020408 k( 483) = ( 0.5324074 0.0648148 0.5324074), wk = 0.0020408 k( 484) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0020408 k( 485) = ( 0.5231482 0.0462963 0.5231482), wk = 0.0020408 k( 486) = ( 0.5185185 0.0370370 0.5185185), wk = 0.0020408 k( 487) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0020408 k( 488) = ( 0.5092593 0.0185185 0.5092593), wk = 0.0020408 k( 489) = ( 0.5046296 0.0092593 0.5046296), wk = 0.0020408 k( 490) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020408 Dense grid: 12939 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 5769 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 46, 26) NL pseudopotentials 0.02 Mb ( 23, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 361) G-vector shells 0.00 Mb ( 143) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 46, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnO.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 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.7 secs Computing kpt #: 10 total cpu time spent up to now is 2.8 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 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 3.3 secs Computing kpt #: 17 total cpu time spent up to now is 3.4 secs Computing kpt #: 18 total cpu time spent up to now is 3.5 secs Computing kpt #: 19 total cpu time spent up to now is 3.6 secs Computing kpt #: 20 total cpu time spent up to now is 3.7 secs Computing kpt #: 21 total cpu time spent up to now is 3.8 secs Computing kpt #: 22 total cpu time spent up to now is 3.9 secs Computing kpt #: 23 total cpu time spent up to now is 4.0 secs Computing kpt #: 24 total cpu time spent up to now is 4.1 secs Computing kpt #: 25 total cpu time spent up to now is 4.2 secs Computing kpt #: 26 total cpu time spent up to now is 4.3 secs Computing kpt #: 27 total cpu time spent up to now is 4.4 secs Computing kpt #: 28 total cpu time spent up to now is 4.5 secs Computing kpt #: 29 total cpu time spent up to now is 4.6 secs Computing kpt #: 30 total cpu time spent up to now is 4.7 secs Computing 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Computing kpt #: 47 total cpu time spent up to now is 6.1 secs Computing kpt #: 48 total cpu time spent up to now is 6.2 secs Computing kpt #: 49 total cpu time spent up to now is 6.2 secs Computing kpt #: 50 total cpu time spent up to now is 6.3 secs Computing kpt #: 51 total cpu time spent up to now is 6.4 secs Computing kpt #: 52 total cpu time spent up to now is 6.5 secs Computing kpt #: 53 total cpu time spent up to now is 6.5 secs Computing kpt #: 54 total cpu time spent up to now is 6.6 secs Computing kpt #: 55 total cpu time spent up to now is 6.7 secs Computing kpt #: 56 total cpu time spent up to now is 6.8 secs Computing kpt #: 57 total cpu time spent up to now is 6.8 secs Computing kpt #: 58 total cpu time spent up to now is 6.9 secs Computing kpt #: 59 total cpu time spent up to now is 7.0 secs Computing kpt #: 60 total cpu time spent up to now is 7.0 secs Computing kpt #: 61 total cpu time spent up to now is 7.1 secs Computing kpt #: 62 total cpu time spent up to now is 7.2 secs Computing kpt #: 63 total cpu time spent up to now is 7.2 secs Computing kpt #: 64 total cpu time spent up to now is 7.3 secs Computing kpt #: 65 total cpu time spent up to now is 7.4 secs Computing kpt #: 66 total cpu time spent up to now is 7.5 secs Computing kpt #: 67 total cpu time spent up to now is 7.5 secs Computing kpt #: 68 total cpu time spent up to now is 7.6 secs Computing kpt #: 69 total cpu time spent up to now is 7.7 secs Computing kpt #: 70 total cpu time spent up to now is 7.7 secs Computing kpt #: 71 total cpu time spent up to now is 7.9 secs Computing kpt #: 72 total cpu time spent up to now is 7.9 secs Computing kpt #: 73 total cpu time spent up to now is 8.0 secs Computing kpt #: 74 total cpu time spent up to now is 8.1 secs Computing kpt #: 75 total cpu time spent up to now is 8.1 secs Computing kpt #: 76 total cpu time spent up to now is 8.2 secs Computing kpt #: 77 total cpu time spent up to now is 8.3 secs Computing kpt #: 78 total cpu time spent up to 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kpt #: 110 total cpu time spent up to now is 10.3 secs Computing kpt #: 111 total cpu time spent up to now is 10.3 secs Computing kpt #: 112 total cpu time spent up to now is 10.4 secs Computing kpt #: 113 total cpu time spent up to now is 10.5 secs Computing kpt #: 114 total cpu time spent up to now is 10.5 secs Computing kpt #: 115 total cpu time spent up to now is 10.6 secs Computing kpt #: 116 total cpu time spent up to now is 10.6 secs Computing kpt #: 117 total cpu time spent up to now is 10.7 secs Computing kpt #: 118 total cpu time spent up to now is 10.8 secs Computing kpt #: 119 total cpu time spent up to now is 10.8 secs Computing kpt #: 120 total cpu time spent up to now is 10.9 secs Computing kpt #: 121 total cpu time spent up to now is 10.9 secs Computing kpt #: 122 total cpu time spent up to now is 11.0 secs Computing kpt #: 123 total cpu time spent up to now is 11.1 secs Computing kpt #: 124 total cpu time spent up to now is 11.1 secs Computing kpt #: 125 total cpu time 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secs Computing kpt #: 141 total cpu time spent up to now is 12.2 secs Computing kpt #: 142 total cpu time spent up to now is 12.2 secs Computing kpt #: 143 total cpu time spent up to now is 12.3 secs Computing kpt #: 144 total cpu time spent up to now is 12.3 secs Computing kpt #: 145 total cpu time spent up to now is 12.4 secs Computing kpt #: 146 total cpu time spent up to now is 12.5 secs Computing kpt #: 147 total cpu time spent up to now is 12.5 secs Computing kpt #: 148 total cpu time spent up to now is 12.6 secs Computing kpt #: 149 total cpu time spent up to now is 12.6 secs Computing kpt #: 150 total cpu time spent up to now is 12.7 secs Computing kpt #: 151 total cpu time spent up to now is 12.8 secs Computing kpt #: 152 total cpu time spent up to now is 12.8 secs Computing kpt #: 153 total cpu time spent up to now is 12.9 secs Computing kpt #: 154 total cpu time spent up to now is 12.9 secs Computing kpt #: 155 total cpu time spent up to now is 13.0 secs Computing kpt #: 156 total cpu time spent up to now is 13.1 secs Computing kpt #: 157 total cpu time spent up to now is 13.1 secs Computing kpt #: 158 total cpu time spent up to now is 13.2 secs Computing kpt #: 159 total cpu time spent up to now is 13.2 secs Computing kpt #: 160 total cpu time spent up to now is 13.3 secs Computing kpt #: 161 total cpu time spent up to now is 13.4 secs Computing kpt #: 162 total cpu time spent up to now is 13.4 secs Computing kpt #: 163 total cpu time spent up to now is 13.5 secs Computing kpt #: 164 total cpu time spent up to now is 13.5 secs Computing kpt #: 165 total cpu time spent up to now is 13.6 secs Computing kpt #: 166 total cpu time spent up to now is 13.6 secs Computing kpt #: 167 total cpu time spent up to now is 13.7 secs Computing kpt #: 168 total cpu time spent up to now is 13.8 secs Computing kpt #: 169 total cpu time spent up to now is 13.8 secs Computing kpt #: 170 total cpu time spent up to now is 13.9 secs Computing kpt #: 171 total cpu time spent up 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total cpu time spent up to now is 15.9 secs Computing kpt #: 203 total cpu time spent up to now is 16.0 secs Computing kpt #: 204 total cpu time spent up to now is 16.1 secs Computing kpt #: 205 total cpu time spent up to now is 16.1 secs Computing kpt #: 206 total cpu time spent up to now is 16.2 secs Computing kpt #: 207 total cpu time spent up to now is 16.3 secs Computing kpt #: 208 total cpu time spent up to now is 16.5 secs Computing kpt #: 209 total cpu time spent up to now is 16.7 secs Computing kpt #: 210 total cpu time spent up to now is 16.8 secs Computing kpt #: 211 total cpu time spent up to now is 16.9 secs Computing kpt #: 212 total cpu time spent up to now is 17.0 secs Computing kpt #: 213 total cpu time spent up to now is 17.2 secs Computing kpt #: 214 total cpu time spent up to now is 17.3 secs Computing kpt #: 215 total cpu time spent up to now is 17.4 secs Computing kpt #: 216 total cpu time spent up to now is 17.5 secs Computing kpt #: 217 total cpu time spent up 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total cpu time spent up to now is 20.3 secs Computing kpt #: 249 total cpu time spent up to now is 20.4 secs Computing kpt #: 250 total cpu time spent up to now is 20.4 secs Computing kpt #: 251 total cpu time spent up to now is 20.5 secs Computing kpt #: 252 total cpu time spent up to now is 20.6 secs Computing kpt #: 253 total cpu time spent up to now is 20.6 secs Computing kpt #: 254 total cpu time spent up to now is 20.7 secs Computing kpt #: 255 total cpu time spent up to now is 20.8 secs Computing kpt #: 256 total cpu time spent up to now is 20.8 secs Computing kpt #: 257 total cpu time spent up to now is 20.9 secs Computing kpt #: 258 total cpu time spent up to now is 21.0 secs Computing kpt #: 259 total cpu time spent up to now is 21.0 secs Computing kpt #: 260 total cpu time spent up to now is 21.1 secs Computing kpt #: 261 total cpu time spent up to now is 21.2 secs Computing kpt #: 262 total cpu time spent up to now is 21.2 secs Computing kpt #: 263 total cpu time spent up 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Computing kpt #: 279 total cpu time spent up to now is 22.3 secs Computing kpt #: 280 total cpu time spent up to now is 22.4 secs Computing kpt #: 281 total cpu time spent up to now is 22.4 secs Computing kpt #: 282 total cpu time spent up to now is 22.5 secs Computing kpt #: 283 total cpu time spent up to now is 22.6 secs Computing kpt #: 284 total cpu time spent up to now is 22.6 secs Computing kpt #: 285 total cpu time spent up to now is 22.7 secs Computing kpt #: 286 total cpu time spent up to now is 22.8 secs Computing kpt #: 287 total cpu time spent up to now is 22.8 secs Computing kpt #: 288 total cpu time spent up to now is 22.9 secs Computing kpt #: 289 total cpu time spent up to now is 22.9 secs Computing kpt #: 290 total cpu time spent up to now is 23.2 secs Computing kpt #: 291 total cpu time spent up to now is 23.2 secs Computing kpt #: 292 total cpu time spent up to now is 23.3 secs Computing kpt #: 293 total cpu time spent up to now is 23.3 secs Computing kpt #: 294 total cpu time spent up to now is 23.4 secs Computing kpt #: 295 total cpu time spent up to now is 23.5 secs Computing kpt #: 296 total cpu time spent up to now is 23.5 secs Computing kpt #: 297 total cpu time spent up to now is 23.6 secs Computing kpt #: 298 total cpu time spent up to now is 23.7 secs Computing kpt #: 299 total cpu time spent up to now is 23.7 secs Computing kpt #: 300 total cpu time spent up to now is 23.8 secs Computing kpt #: 301 total cpu time spent up to now is 23.8 secs Computing kpt #: 302 total cpu time spent up to now is 23.9 secs Computing kpt #: 303 total cpu time spent up to now is 24.0 secs Computing kpt #: 304 total cpu time spent up to now is 24.0 secs Computing kpt #: 305 total cpu time spent up to now is 24.1 secs Computing kpt #: 306 total cpu time spent up to now is 24.2 secs Computing kpt #: 307 total cpu time spent up to now is 24.2 secs Computing kpt #: 308 total cpu time spent up to now is 24.3 secs Computing kpt #: 309 total cpu time spent up to now is 24.3 secs Computing kpt #: 310 total cpu time spent up to now is 24.4 secs Computing kpt #: 311 total cpu time spent up to now is 24.5 secs Computing kpt #: 312 total cpu time spent up to now is 24.5 secs Computing kpt #: 313 total cpu time spent up to now is 24.6 secs Computing kpt #: 314 total cpu time spent up to now is 24.6 secs Computing kpt #: 315 total cpu time spent up to now is 24.7 secs Computing kpt #: 316 total cpu time spent up to now is 24.8 secs Computing kpt #: 317 total cpu time spent up to now is 24.8 secs Computing kpt #: 318 total cpu time spent up to now is 24.9 secs Computing kpt #: 319 total cpu time spent up to now is 25.0 secs Computing kpt #: 320 total cpu time spent up to now is 25.0 secs Computing kpt #: 321 total cpu time spent up to now is 25.1 secs Computing kpt #: 322 total cpu time spent up to now is 25.1 secs Computing kpt #: 323 total cpu time spent up to now is 25.2 secs Computing kpt #: 324 total cpu time spent up to now is 25.3 secs Computing kpt #: 325 total cpu time spent up to now is 25.3 secs Computing kpt #: 326 total cpu time spent up to now is 25.4 secs Computing kpt #: 327 total cpu time spent up to now is 25.5 secs Computing kpt #: 328 total cpu time spent up to now is 25.5 secs Computing kpt #: 329 total cpu time spent up to now is 25.6 secs Computing kpt #: 330 total cpu time spent up to now is 25.6 secs Computing kpt #: 331 total cpu time spent up to now is 25.7 secs Computing kpt #: 332 total cpu time spent up to now is 25.8 secs Computing kpt #: 333 total cpu time spent up to now is 25.8 secs Computing kpt #: 334 total cpu time spent up to now is 25.9 secs Computing kpt #: 335 total cpu time spent up to now is 25.9 secs Computing kpt #: 336 total cpu time spent up to now is 26.0 secs Computing kpt #: 337 total cpu time spent up to now is 26.1 secs Computing kpt #: 338 total cpu time spent up to now is 26.1 secs Computing kpt #: 339 total cpu time spent up to now is 26.2 secs Computing kpt #: 340 total cpu time spent up to now is 26.3 secs Computing kpt #: 341 total cpu time spent up to now is 26.3 secs Computing kpt #: 342 total cpu time spent up to now is 26.4 secs Computing kpt #: 343 total cpu time spent up to now is 26.4 secs Computing kpt #: 344 total cpu time spent up to now is 26.5 secs Computing kpt #: 345 total cpu time spent up to now is 26.6 secs Computing kpt #: 346 total cpu time spent up to now is 26.6 secs Computing kpt #: 347 total cpu time spent up to now is 26.7 secs Computing kpt #: 348 total cpu time spent up to now is 26.8 secs Computing kpt #: 349 total cpu time spent up to now is 26.8 secs Computing kpt #: 350 total cpu time spent up to now is 26.9 secs Computing kpt #: 351 total cpu time spent up to now is 26.9 secs Computing kpt #: 352 total cpu time spent up to now is 27.0 secs Computing kpt #: 353 total cpu time spent up to now is 27.1 secs Computing kpt #: 354 total cpu time spent up to now is 27.1 secs Computing kpt #: 355 total cpu time spent up to now is 27.2 secs Computing kpt #: 356 total cpu time spent up to now is 27.2 secs Computing kpt #: 357 total cpu time spent up to now is 27.3 secs Computing kpt #: 358 total cpu time spent up to now is 27.4 secs Computing kpt #: 359 total cpu time spent up to now is 27.4 secs Computing kpt #: 360 total cpu time spent up to now is 27.5 secs Computing kpt #: 361 total cpu time spent up to now is 27.5 secs Computing kpt #: 362 total cpu time spent up to now is 27.6 secs Computing kpt #: 363 total cpu time spent up to now is 27.7 secs Computing kpt #: 364 total cpu time spent up to now is 27.7 secs Computing kpt #: 365 total cpu time spent up to now is 27.8 secs Computing kpt #: 366 total cpu time spent up to now is 27.8 secs Computing kpt #: 367 total cpu time spent up to now is 27.9 secs Computing kpt #: 368 total cpu time spent up to now is 28.0 secs Computing kpt #: 369 total cpu time spent up to now is 28.0 secs Computing kpt #: 370 total cpu time spent up to now is 28.1 secs Computing kpt #: 371 total cpu time spent up to now is 28.1 secs Computing kpt #: 372 total cpu time spent up to now is 28.2 secs Computing kpt #: 373 total cpu time spent up to now is 28.3 secs Computing kpt #: 374 total cpu time spent up to now is 28.3 secs Computing kpt #: 375 total cpu time spent up to now is 28.4 secs Computing kpt #: 376 total cpu time spent up to now is 28.4 secs Computing kpt #: 377 total cpu time spent up to now is 28.5 secs Computing kpt #: 378 total cpu time spent up to now is 28.6 secs Computing kpt #: 379 total cpu time spent up to now is 28.6 secs Computing kpt #: 380 total cpu time spent up to now is 28.7 secs Computing kpt #: 381 total cpu time spent up to now is 28.7 secs Computing kpt #: 382 total cpu time spent up to now is 28.8 secs Computing kpt #: 383 total cpu time spent up to now is 28.9 secs Computing kpt #: 384 total cpu time spent up to now is 28.9 secs Computing kpt #: 385 total cpu time spent up to now is 29.0 secs Computing kpt #: 386 total cpu time spent up to now is 29.1 secs Computing kpt #: 387 total cpu time spent up to now is 29.1 secs Computing kpt #: 388 total cpu time spent up to now is 29.2 secs Computing kpt #: 389 total cpu time spent up to now is 29.2 secs Computing kpt #: 390 total cpu time spent up to now is 29.3 secs Computing kpt #: 391 total cpu time spent up to now is 29.4 secs Computing kpt #: 392 total cpu time spent up to now is 29.4 secs Computing kpt #: 393 total cpu time spent up to now is 29.5 secs Computing kpt #: 394 total cpu time spent up to now is 29.6 secs Computing kpt #: 395 total cpu time spent up to now is 29.6 secs Computing kpt #: 396 total cpu time spent up to now is 29.7 secs Computing kpt #: 397 total cpu time spent up to now is 29.7 secs Computing kpt #: 398 total cpu time spent up to now is 29.8 secs Computing kpt #: 399 total cpu time spent up to now is 29.9 secs Computing kpt #: 400 total cpu time spent up to now is 29.9 secs Computing kpt #: 401 total cpu time spent up to now is 30.0 secs Computing kpt #: 402 total cpu time spent up to now is 30.0 secs Computing kpt #: 403 total cpu time spent up to now is 30.1 secs Computing kpt #: 404 total cpu time spent up to now is 30.2 secs Computing kpt #: 405 total cpu time spent up to now is 30.2 secs Computing kpt #: 406 total cpu time spent up to now is 30.3 secs Computing kpt #: 407 total cpu time spent up to now is 30.4 secs Computing kpt #: 408 total cpu time spent up to now is 30.4 secs Computing kpt #: 409 total cpu time spent up to now is 30.5 secs Computing kpt #: 410 total cpu time spent up to now is 30.5 secs Computing kpt #: 411 total cpu time spent up to now is 30.6 secs Computing kpt #: 412 total cpu time spent up to now is 30.7 secs Computing kpt #: 413 total cpu time spent up to now is 30.7 secs Computing kpt #: 414 total cpu time spent up to now is 30.8 secs Computing kpt #: 415 total cpu time spent up to now is 30.8 secs Computing kpt #: 416 total cpu time spent up to now is 30.9 secs Computing kpt #: 417 total cpu time spent up to now is 31.0 secs Computing kpt #: 418 total cpu time spent up to now is 31.0 secs Computing kpt #: 419 total cpu time spent up to now is 31.1 secs Computing kpt #: 420 total cpu time spent up to now is 31.2 secs Computing kpt #: 421 total cpu time spent up to now is 31.2 secs Computing kpt #: 422 total cpu time spent up to now is 31.3 secs Computing kpt #: 423 total cpu time spent up to now is 31.3 secs Computing kpt #: 424 total cpu time spent up to now is 31.4 secs Computing kpt #: 425 total cpu time spent up to now is 31.5 secs Computing kpt #: 426 total cpu time spent up to now is 31.5 secs Computing kpt #: 427 total cpu time spent up to now is 31.6 secs Computing kpt #: 428 total cpu time spent up to now is 31.6 secs Computing kpt #: 429 total cpu time spent up to now is 31.7 secs Computing kpt #: 430 total cpu time spent up to now is 31.8 secs Computing kpt #: 431 total cpu time spent up to now is 31.8 secs Computing kpt #: 432 total cpu time spent up to now is 31.9 secs Computing kpt #: 433 total cpu time spent up to now is 32.0 secs Computing kpt #: 434 total cpu time spent up to now is 32.0 secs Computing kpt #: 435 total cpu time spent up to now is 32.1 secs Computing kpt #: 436 total cpu time spent up to now is 32.1 secs Computing kpt #: 437 total cpu time spent up to now is 32.2 secs Computing kpt #: 438 total cpu time spent up to now is 32.3 secs Computing kpt #: 439 total cpu time spent up to now is 32.3 secs Computing kpt #: 440 total cpu time spent up to now is 32.4 secs Computing kpt #: 441 total cpu time spent up to now is 32.5 secs Computing kpt #: 442 total cpu time spent up to now is 32.5 secs Computing kpt #: 443 total cpu time spent up to now is 32.6 secs Computing kpt #: 444 total cpu time spent up to now is 32.6 secs Computing kpt #: 445 total cpu time spent up to now is 32.7 secs Computing kpt #: 446 total cpu time spent up to now is 32.8 secs Computing kpt #: 447 total cpu time spent up to now is 32.8 secs Computing kpt #: 448 total cpu time spent up to now is 32.9 secs Computing kpt #: 449 total cpu time spent up to now is 32.9 secs Computing kpt #: 450 total cpu time spent up to now is 33.0 secs Computing kpt #: 451 total cpu time spent up to now is 33.1 secs Computing kpt #: 452 total cpu time spent up to now is 33.1 secs Computing kpt #: 453 total cpu time spent up to now is 33.2 secs Computing kpt #: 454 total cpu time spent up to now is 33.3 secs Computing kpt #: 455 total cpu time spent up to now is 33.3 secs Computing kpt #: 456 total cpu time spent up to now is 33.4 secs Computing kpt #: 457 total cpu time spent up to now is 33.4 secs Computing kpt #: 458 total cpu time spent up to now is 33.5 secs Computing kpt #: 459 total cpu time spent up to now is 33.6 secs Computing kpt #: 460 total cpu time spent up to now is 33.6 secs Computing kpt #: 461 total cpu time spent up to now is 33.7 secs Computing kpt #: 462 total cpu time spent up to now is 33.7 secs Computing kpt #: 463 total cpu time spent up to now is 33.8 secs Computing kpt #: 464 total cpu time spent up to now is 33.8 secs Computing kpt #: 465 total cpu time spent up to now is 33.9 secs Computing kpt #: 466 total cpu time spent up to now is 34.0 secs Computing kpt #: 467 total cpu time spent up to now is 34.0 secs Computing kpt #: 468 total cpu time spent up to now is 34.1 secs Computing kpt #: 469 total cpu time spent up to now is 34.1 secs Computing kpt #: 470 total cpu time spent up to now is 34.2 secs Computing kpt #: 471 total cpu time spent up to now is 34.3 secs Computing kpt #: 472 total cpu time spent up to now is 34.3 secs Computing kpt #: 473 total cpu time spent up to now is 34.4 secs Computing kpt #: 474 total cpu time spent up to now is 34.4 secs Computing kpt #: 475 total cpu time spent up to now is 34.5 secs Computing kpt #: 476 total cpu time spent up to now is 34.5 secs Computing kpt #: 477 total cpu time spent up to now is 34.6 secs Computing kpt #: 478 total cpu time spent up to now is 34.7 secs Computing kpt #: 479 total cpu time spent up to now is 34.7 secs Computing kpt #: 480 total cpu time spent up to now is 34.8 secs Computing kpt #: 481 total cpu time spent up to now is 34.9 secs Computing kpt #: 482 total cpu time spent up to now is 35.0 secs Computing kpt #: 483 total cpu time spent up to now is 35.1 secs Computing kpt #: 484 total cpu time spent up to now is 35.1 secs Computing kpt #: 485 total cpu time spent up to now is 35.2 secs Computing kpt #: 486 total cpu time spent up to now is 35.3 secs Computing kpt #: 487 total cpu time spent up to now is 35.4 secs Computing kpt #: 488 total cpu time spent up to now is 35.5 secs Computing kpt #: 489 total cpu time spent up to now is 35.5 secs Computing kpt #: 490 total cpu time spent up to now is 35.6 secs ethr = 5.56E-08, avg # of iterations = 9.9 total cpu time spent up to now is 35.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -8.4273 -8.4273 5.2081 5.2081 5.2081 5.2081 5.4936 5.4936 5.6511 5.6511 5.6511 5.6511 8.7910 8.7910 8.8404 8.8404 8.8404 8.8404 11.1386 11.1386 28.1782 28.1782 28.1782 28.1782 28.2259 28.2259 k = 0.0068-0.0039 0.0055 ( 725 PWs) bands (ev): -8.4267 -8.4267 5.2078 5.2078 5.2080 5.2080 5.4935 5.4935 5.6496 5.6496 5.6512 5.6512 8.7892 8.7892 8.8370 8.8370 8.8401 8.8401 11.1466 11.1466 28.0914 28.0914 28.1613 28.1613 28.2002 28.2002 k = 0.0135-0.0078 0.0110 ( 725 PWs) bands (ev): -8.4246 -8.4246 5.2070 5.2070 5.2078 5.2078 5.4932 5.4932 5.6452 5.6452 5.6513 5.6513 8.7827 8.7827 8.8284 8.8284 8.8394 8.8394 11.1706 11.1706 27.9223 27.9223 28.1133 28.1133 28.1592 28.1592 k = 0.0203-0.0117 0.0166 ( 725 PWs) bands (ev): -8.4211 -8.4211 5.2055 5.2055 5.2073 5.2073 5.4928 5.4928 5.6378 5.6378 5.6516 5.6516 8.7682 8.7682 8.8185 8.8185 8.8382 8.8382 11.2098 11.2098 27.7412 27.7412 28.0411 28.0411 28.0989 28.0989 k = 0.0270-0.0156 0.0221 ( 725 PWs) bands (ev): -8.4163 -8.4163 5.2034 5.2034 5.2067 5.2067 5.4921 5.4921 5.6276 5.6276 5.6519 5.6519 8.7432 8.7432 8.8109 8.8109 8.8365 8.8365 11.2630 11.2630 27.5588 27.5588 27.9521 27.9521 28.0228 28.0228 k = 0.0338-0.0195 0.0276 ( 725 PWs) bands (ev): -8.4101 -8.4101 5.2006 5.2006 5.2058 5.2058 5.4913 5.4913 5.6147 5.6147 5.6523 5.6523 8.7090 8.7090 8.8054 8.8054 8.8343 8.8343 11.3291 11.3291 27.3779 27.3779 27.8521 27.8521 27.9352 27.9352 k = 0.0405-0.0234 0.0331 ( 725 PWs) bands (ev): -8.4026 -8.4026 5.1970 5.1970 5.2048 5.2048 5.4904 5.4904 5.5992 5.5992 5.6529 5.6529 8.6682 8.6682 8.8008 8.8008 8.8316 8.8316 11.4066 11.4066 27.1991 27.1991 27.7456 27.7456 27.8400 27.8400 k = 0.0473-0.0273 0.0386 ( 725 PWs) bands (ev): -8.3937 -8.3937 5.1924 5.1924 5.2036 5.2036 5.4893 5.4893 5.5813 5.5813 5.6535 5.6535 8.6228 8.6228 8.7963 8.7963 8.8283 8.8283 11.4941 11.4941 27.0230 27.0230 27.6355 27.6355 27.7400 27.7400 k = 0.0541-0.0312 0.0441 ( 725 PWs) bands (ev): -8.3835 -8.3835 5.1866 5.1866 5.2022 5.2022 5.4880 5.4880 5.5613 5.5613 5.6543 5.6543 8.5743 8.5743 8.7916 8.7916 8.8245 8.8245 11.5904 11.5904 26.8496 26.8496 27.5237 27.5237 27.6373 27.6373 k = 0.0608-0.0351 0.0497 ( 725 PWs) bands (ev): -8.3720 -8.3720 5.1795 5.1795 5.2007 5.2007 5.4866 5.4866 5.5396 5.5396 5.6551 5.6551 8.5240 8.5240 8.7865 8.7865 8.8201 8.8201 11.6942 11.6942 26.6791 26.6791 27.4116 27.4116 27.5335 27.5335 k = 0.0676-0.0390 0.0552 ( 717 PWs) bands (ev): -8.3592 -8.3592 5.1708 5.1708 5.1991 5.1991 5.4854 5.4854 5.5167 5.5167 5.6562 5.6562 8.4728 8.4728 8.7809 8.7809 8.8152 8.8152 11.8045 11.8045 26.5116 26.5116 27.3002 27.3002 27.4301 27.4301 k = 0.0743-0.0429 0.0607 ( 717 PWs) bands (ev): -8.3451 -8.3451 5.1598 5.1598 5.1971 5.1971 5.4839 5.4839 5.4929 5.4929 5.6573 5.6573 8.4214 8.4214 8.7747 8.7747 8.8097 8.8097 11.9204 11.9204 26.3470 26.3470 27.1893 27.1893 27.3272 27.3272 k = 0.0811-0.0468 0.0662 ( 721 PWs) bands (ev): -8.3298 -8.3298 5.1459 5.1459 5.1950 5.1950 5.4689 5.4689 5.4822 5.4822 5.6585 5.6585 8.3706 8.3706 8.7680 8.7680 8.8035 8.8035 12.0409 12.0409 26.1854 26.1854 27.0792 27.0792 27.2258 27.2258 k = 0.0878-0.0507 0.0717 ( 721 PWs) bands (ev): -8.3133 -8.3133 5.1290 5.1290 5.1927 5.1927 5.4457 5.4457 5.4805 5.4805 5.6599 5.6599 8.3208 8.3208 8.7606 8.7606 8.7966 8.7966 12.1655 12.1655 26.0268 26.0268 26.9688 26.9688 27.1265 27.1265 k = 0.0946-0.0546 0.0772 ( 713 PWs) bands (ev): -8.2956 -8.2956 5.1087 5.1087 5.1902 5.1902 5.4242 5.4242 5.4791 5.4791 5.6614 5.6614 8.2724 8.2724 8.7525 8.7525 8.7891 8.7891 12.2935 12.2935 25.8711 25.8711 26.8555 26.8555 27.0295 27.0295 k = 0.1014-0.0585 0.0828 ( 713 PWs) bands (ev): -8.2767 -8.2767 5.0840 5.0840 5.1875 5.1875 5.4044 5.4044 5.4774 5.4774 5.6630 5.6630 8.2256 8.2256 8.7437 8.7437 8.7809 8.7809 12.4241 12.4241 25.7185 25.7185 26.7302 26.7302 26.9352 26.9352 k = 0.1081-0.0624 0.0883 ( 713 PWs) bands (ev): -8.2567 -8.2567 5.0549 5.0549 5.1846 5.1846 5.3871 5.3871 5.4758 5.4758 5.6647 5.6647 8.1807 8.1807 8.7342 8.7342 8.7720 8.7720 12.5571 12.5571 25.5688 25.5688 26.5697 26.5697 26.8214 26.8214 k = 0.1149-0.0663 0.0938 ( 713 PWs) bands (ev): -8.2356 -8.2356 5.0217 5.0217 5.1815 5.1815 5.3724 5.3724 5.4742 5.4742 5.6666 5.6666 8.1376 8.1376 8.7240 8.7240 8.7623 8.7623 12.6918 12.6918 25.4222 25.4222 26.3570 26.3570 26.6772 26.6772 k = 0.1216-0.0702 0.0993 ( 713 PWs) bands (ev): -8.2135 -8.2135 4.9846 4.9846 5.1782 5.1782 5.3603 5.3603 5.4728 5.4728 5.6686 5.6686 8.0966 8.0966 8.7129 8.7129 8.7518 8.7518 12.8278 12.8278 25.2784 25.2784 26.1132 26.1132 26.5669 26.5669 k = 0.1284-0.0741 0.1048 ( 701 PWs) bands (ev): -8.1903 -8.1903 4.9442 4.9442 5.1749 5.1749 5.3509 5.3509 5.4719 5.4719 5.6710 5.6710 8.0575 8.0575 8.7011 8.7011 8.7406 8.7406 12.9648 12.9648 25.1377 25.1377 25.8580 25.8580 26.4718 26.4718 k = 0.1351-0.0780 0.1103 ( 701 PWs) bands (ev): -8.1662 -8.1662 4.9009 4.9009 5.1712 5.1712 5.3432 5.3432 5.4707 5.4707 5.6732 5.6732 8.0204 8.0204 8.6884 8.6884 8.7285 8.7285 13.1022 13.1022 24.9999 24.9999 25.5990 25.5990 26.3849 26.3849 k = 0.1419-0.0819 0.1159 ( 701 PWs) bands (ev): -8.1412 -8.1412 4.8553 4.8553 5.1673 5.1673 5.3374 5.3374 5.4698 5.4698 5.6756 5.6756 7.9851 7.9851 8.6748 8.6748 8.7155 8.7155 13.2398 13.2398 24.8650 24.8650 25.3391 25.3391 26.3039 26.3039 k = 0.1486-0.0858 0.1214 ( 701 PWs) bands (ev): -8.1153 -8.1153 4.8081 4.8081 5.1631 5.1631 5.3330 5.3330 5.4691 5.4691 5.6781 5.6781 7.9516 7.9516 8.6604 8.6604 8.7017 8.7017 13.3771 13.3771 24.7330 24.7330 25.0801 25.0801 26.2277 26.2277 k = 0.1554-0.0897 0.1269 ( 705 PWs) bands (ev): -8.0885 -8.0885 4.7593 4.7593 5.1587 5.1587 5.3300 5.3300 5.4687 5.4687 5.6808 5.6808 7.9197 7.9197 8.6451 8.6451 8.6870 8.6870 13.5138 13.5138 24.6040 24.6040 24.8227 24.8227 26.1558 26.1558 k = 0.1622-0.0936 0.1324 ( 709 PWs) bands (ev): -8.0610 -8.0610 4.7102 4.7102 5.1541 5.1541 5.3280 5.3280 5.4685 5.4685 5.6834 5.6834 7.8894 7.8894 8.6290 8.6290 8.6715 8.6715 13.6495 13.6495 24.4778 24.4778 24.5680 24.5680 26.0880 26.0880 k = 0.1689-0.0975 0.1379 ( 709 PWs) bands (ev): -8.0327 -8.0327 4.6608 4.6608 5.1493 5.1493 5.3271 5.3271 5.4687 5.4687 5.6863 5.6863 7.8604 7.8604 8.6119 8.6119 8.6550 8.6550 13.7839 13.7839 24.3164 24.3164 24.3545 24.3545 26.0240 26.0240 k = 0.1757-0.1014 0.1434 ( 705 PWs) bands (ev): -8.0038 -8.0038 4.6118 4.6118 5.1443 5.1443 5.3273 5.3273 5.4693 5.4693 5.6894 5.6894 7.8326 7.8326 8.5939 8.5939 8.6376 8.6376 13.9165 13.9165 24.0685 24.0685 24.2341 24.2341 25.9639 25.9639 k = 0.1824-0.1053 0.1490 ( 701 PWs) bands (ev): -7.9742 -7.9742 4.5629 4.5629 5.1393 5.1393 5.3282 5.3282 5.4704 5.4704 5.6926 5.6926 7.8059 7.8059 8.5750 8.5750 8.6192 8.6192 14.0470 14.0470 23.8249 23.8249 24.1166 24.1166 25.9075 25.9075 k = 0.1892-0.1092 0.1545 ( 701 PWs) bands (ev): -7.9441 -7.9441 4.5146 4.5146 5.1338 5.1338 5.3298 5.3298 5.4718 5.4718 5.6959 5.6959 7.7802 7.7802 8.5551 8.5551 8.6000 8.6000 14.1750 14.1750 23.5860 23.5860 24.0018 24.0018 25.8547 25.8547 k = 0.1959-0.1131 0.1600 ( 701 PWs) bands (ev): -7.9135 -7.9135 4.4674 4.4674 5.1282 5.1282 5.3322 5.3322 5.4737 5.4737 5.6993 5.6993 7.7551 7.7551 8.5343 8.5343 8.5797 8.5797 14.3000 14.3000 23.3524 23.3524 23.8899 23.8899 25.8054 25.8054 k = 0.2027-0.1170 0.1655 ( 709 PWs) bands (ev): -7.8824 -7.8824 4.4213 4.4213 5.1222 5.1222 5.3351 5.3351 5.4759 5.4759 5.7028 5.7028 7.7307 7.7307 8.5126 8.5126 8.5585 8.5585 14.4215 14.4215 23.1246 23.1246 23.7807 23.7807 25.7596 25.7596 k = 0.2095-0.1209 0.1710 ( 717 PWs) bands (ev): -7.8510 -7.8510 4.3766 4.3766 5.1161 5.1161 5.3386 5.3386 5.4785 5.4785 5.7064 5.7064 7.7065 7.7065 8.4899 8.4899 8.5364 8.5364 14.5392 14.5392 22.9031 22.9031 23.6743 23.6743 25.7171 25.7171 k = 0.2162-0.1248 0.1765 ( 717 PWs) bands (ev): -7.8192 -7.8192 4.3338 4.3338 5.1098 5.1098 5.3430 5.3430 5.4820 5.4820 5.7102 5.7102 7.6828 7.6828 8.4664 8.4664 8.5134 8.5134 14.6525 14.6525 22.6884 22.6884 23.5707 23.5707 25.6781 25.6781 k = 0.2230-0.1287 0.1821 ( 717 PWs) bands (ev): -7.7872 -7.7872 4.2928 4.2928 5.1034 5.1034 5.3482 5.3482 5.4859 5.4859 5.7141 5.7141 7.6593 7.6593 8.4420 8.4420 8.4895 8.4895 14.7611 14.7611 22.4810 22.4810 23.4699 23.4699 25.6422 25.6422 k = 0.2297-0.1326 0.1876 ( 713 PWs) bands (ev): -7.7550 -7.7550 4.2540 4.2540 5.0968 5.0968 5.3541 5.3541 5.4906 5.4906 5.7182 5.7182 7.6357 7.6357 8.4167 8.4167 8.4647 8.4647 14.8642 14.8642 22.2816 22.2816 23.3717 23.3717 25.6097 25.6097 k = 0.2365-0.1365 0.1931 ( 713 PWs) bands (ev): -7.7226 -7.7226 4.2173 4.2173 5.0900 5.0900 5.3604 5.3604 5.4957 5.4957 5.7223 5.7223 7.6121 7.6121 8.3906 8.3906 8.4390 8.4390 14.9614 14.9614 22.0908 22.0908 23.2763 23.2763 25.5801 25.5801 k = 0.2432-0.1404 0.1986 ( 713 PWs) bands (ev): -7.6902 -7.6902 4.1830 4.1830 5.0832 5.0832 5.3674 5.3674 5.5013 5.5013 5.7265 5.7265 7.5881 7.5881 8.3636 8.3636 8.4124 8.4124 15.0521 15.0521 21.9090 21.9090 23.1836 23.1836 25.5535 25.5535 k = 0.2500-0.1443 0.2041 ( 713 PWs) bands (ev): -7.6577 -7.6577 4.1512 4.1512 5.0761 5.0761 5.3751 5.3751 5.5075 5.5075 5.7309 5.7309 7.5638 7.5638 8.3358 8.3358 8.3850 8.3850 15.1358 15.1358 21.7369 21.7369 23.0935 23.0935 25.5298 25.5298 k = 0.2568-0.1482 0.2096 ( 713 PWs) bands (ev): -7.6254 -7.6254 4.1221 4.1221 5.0690 5.0690 5.3833 5.3833 5.5143 5.5143 5.7353 5.7353 7.5389 7.5389 8.3073 8.3073 8.3568 8.3568 15.2118 15.2118 21.5751 21.5751 23.0061 23.0061 25.5089 25.5089 k = 0.2635-0.1521 0.2152 ( 713 PWs) bands (ev): -7.5931 -7.5931 4.0956 4.0956 5.0618 5.0618 5.3922 5.3922 5.5217 5.5217 5.7399 5.7399 7.5134 7.5134 8.2780 8.2780 8.3278 8.3278 15.2797 15.2797 21.4241 21.4241 22.9214 22.9214 25.4907 25.4907 k = 0.2703-0.1560 0.2207 ( 713 PWs) bands (ev): -7.5611 -7.5611 4.0720 4.0720 5.0545 5.0545 5.4016 5.4016 5.5296 5.5296 5.7445 5.7445 7.4871 7.4871 8.2480 8.2480 8.2982 8.2982 15.3389 15.3389 21.2845 21.2845 22.8392 22.8392 25.4751 25.4751 k = 0.2770-0.1599 0.2262 ( 713 PWs) bands (ev): -7.5293 -7.5293 4.0514 4.0514 5.0472 5.0472 5.4116 5.4116 5.5380 5.5380 5.7494 5.7494 7.4600 7.4600 8.2174 8.2174 8.2678 8.2678 15.3891 15.3891 21.1567 21.1567 22.7597 22.7597 25.4620 25.4620 k = 0.2838-0.1638 0.2317 ( 713 PWs) bands (ev): -7.4978 -7.4978 4.0337 4.0337 5.0399 5.0399 5.4222 5.4222 5.5470 5.5470 5.7543 5.7543 7.4320 7.4320 8.1862 8.1862 8.2368 8.2368 15.4297 15.4297 21.0411 21.0411 22.6828 22.6828 25.4512 25.4512 k = 0.2905-0.1677 0.2372 ( 717 PWs) bands (ev): -7.4667 -7.4667 4.0193 4.0193 5.0323 5.0323 5.4332 5.4332 5.5562 5.5562 5.7592 5.7592 7.4029 7.4029 8.1543 8.1543 8.2051 8.2051 15.4607 15.4607 20.9379 20.9379 22.6084 22.6084 25.4427 25.4427 k = 0.2973-0.1716 0.2427 ( 717 PWs) bands (ev): -7.4361 -7.4361 4.0077 4.0077 5.0249 5.0249 5.4449 5.4449 5.5661 5.5661 5.7645 5.7645 7.3727 7.3727 8.1220 8.1220 8.1729 8.1729 15.4818 15.4818 20.8473 20.8473 22.5366 22.5366 25.4363 25.4363 k = 0.3041-0.1755 0.2483 ( 717 PWs) bands (ev): -7.4059 -7.4059 3.9993 3.9993 5.0176 5.0176 5.4572 5.4572 5.5763 5.5763 5.7700 5.7700 7.3413 7.3413 8.0892 8.0892 8.1403 8.1403 15.4932 15.4932 20.7692 20.7692 22.4673 22.4673 25.4318 25.4318 k = 0.3108-0.1794 0.2538 ( 717 PWs) bands (ev): -7.3763 -7.3763 3.9940 3.9940 5.0103 5.0103 5.4699 5.4699 5.5870 5.5870 5.7757 5.7757 7.3086 7.3086 8.0561 8.0561 8.1073 8.1073 15.4950 15.4950 20.7034 20.7034 22.4006 22.4006 25.4292 25.4292 k = 0.3176-0.1833 0.2593 ( 717 PWs) bands (ev): -7.3473 -7.3473 3.9919 3.9919 5.0031 5.0031 5.4831 5.4831 5.5978 5.5978 5.7816 5.7816 7.2746 7.2746 8.0226 8.0226 8.0739 8.0739 15.4876 15.4876 20.6496 20.6496 22.3363 22.3363 25.4284 25.4284 k = 0.3243-0.1872 0.2648 ( 717 PWs) bands (ev): -7.3190 -7.3190 3.9929 3.9929 4.9959 4.9959 5.4968 5.4968 5.6089 5.6089 5.7878 5.7878 7.2392 7.2392 7.9889 7.9889 8.0402 8.0402 15.4716 15.4716 20.6071 20.6071 22.2746 22.2746 25.4291 25.4291 k = 0.3311-0.1911 0.2703 ( 717 PWs) bands (ev): -7.2913 -7.2913 3.9970 3.9970 4.9889 4.9889 5.5108 5.5108 5.6202 5.6202 5.7944 5.7944 7.2024 7.2024 7.9550 7.9550 8.0063 8.0063 15.4477 15.4477 20.5754 20.5754 22.2153 22.2153 25.4313 25.4313 k = 0.3378-0.1951 0.2758 ( 717 PWs) bands (ev): -7.2645 -7.2645 4.0042 4.0042 4.9820 4.9820 5.5252 5.5252 5.6314 5.6314 5.8013 5.8013 7.1643 7.1643 7.9210 7.9210 7.9722 7.9722 15.4165 15.4165 20.5537 20.5537 22.1585 22.1585 25.4349 25.4349 k = 0.3446-0.1990 0.2814 ( 717 PWs) bands (ev): -7.2384 -7.2384 4.0145 4.0145 4.9752 4.9752 5.5399 5.5399 5.6426 5.6426 5.8087 5.8087 7.1247 7.1247 7.8869 7.8869 7.9381 7.9381 15.3791 15.3791 20.5409 20.5409 22.1041 22.1041 25.4396 25.4396 k = 0.3514-0.2029 0.2869 ( 717 PWs) bands (ev): -7.2132 -7.2132 4.0277 4.0277 4.9686 4.9686 5.5549 5.5549 5.6536 5.6536 5.8166 5.8166 7.0838 7.0838 7.8530 7.8530 7.9041 7.9041 15.3363 15.3363 20.5362 20.5362 22.0522 22.0522 25.4454 25.4454 k = 0.3581-0.2068 0.2924 ( 717 PWs) bands (ev): -7.1889 -7.1889 4.0438 4.0438 4.9621 4.9621 5.5700 5.5700 5.6644 5.6644 5.8250 5.8250 7.0416 7.0416 7.8192 7.8192 7.8702 7.8702 15.2891 15.2891 20.5387 20.5387 22.0026 22.0026 25.4521 25.4521 k = 0.3649-0.2107 0.2979 ( 713 PWs) bands (ev): -7.1655 -7.1655 4.0628 4.0628 4.9559 4.9559 5.5854 5.5854 5.6748 5.6748 5.8341 5.8341 6.9983 6.9983 7.7856 7.7856 7.8365 7.8365 15.2384 15.2384 20.5473 20.5473 21.9555 21.9555 25.4595 25.4595 k = 0.3716-0.2146 0.3034 ( 713 PWs) bands (ev): -7.1431 -7.1431 4.0843 4.0843 4.9498 4.9498 5.6008 5.6008 5.6847 5.6847 5.8437 5.8437 6.9538 6.9538 7.7525 7.7525 7.8031 7.8031 15.1852 15.1852 20.5610 20.5610 21.9108 21.9108 25.4676 25.4676 k = 0.3784-0.2185 0.3089 ( 709 PWs) bands (ev): -7.1216 -7.1216 4.1084 4.1084 4.9440 4.9440 5.6162 5.6162 5.6940 5.6940 5.8540 5.8540 6.9082 6.9082 7.7198 7.7198 7.7701 7.7701 15.1304 15.1304 20.5790 20.5790 21.8684 21.8684 25.4763 25.4763 k = 0.3851-0.2224 0.3145 ( 709 PWs) bands (ev): -7.1012 -7.1012 4.1348 4.1348 4.9384 4.9384 5.6314 5.6314 5.7027 5.7027 5.8649 5.8649 6.8618 6.8618 7.6876 7.6876 7.7377 7.7377 15.0747 15.0747 20.6003 20.6003 21.8284 21.8284 25.4853 25.4853 k = 0.3919-0.2263 0.3200 ( 717 PWs) bands (ev): -7.0818 -7.0818 4.1632 4.1632 4.9331 4.9331 5.6461 5.6461 5.7106 5.7106 5.8763 5.8763 6.8144 6.8144 7.6561 7.6561 7.7060 7.7060 15.0188 15.0188 20.6240 20.6240 21.7908 21.7908 25.4946 25.4946 k = 0.3986-0.2302 0.3255 ( 717 PWs) bands (ev): -7.0635 -7.0635 4.1936 4.1936 4.9279 4.9279 5.6607 5.6607 5.7179 5.7179 5.8882 5.8882 6.7669 6.7669 7.6255 7.6255 7.6750 7.6750 14.9636 14.9636 20.6497 20.6497 21.7555 21.7555 25.5040 25.5040 k = 0.4054-0.2341 0.3310 ( 716 PWs) bands (ev): -7.0463 -7.0463 4.2257 4.2257 4.9231 4.9231 5.6747 5.6747 5.7246 5.7246 5.9004 5.9004 6.7193 6.7193 7.5959 7.5959 7.6450 7.6450 14.9097 14.9097 20.6766 20.6766 21.7225 21.7225 25.5134 25.5134 k = 0.4122-0.2380 0.3365 ( 716 PWs) bands (ev): -7.0303 -7.0303 4.2592 4.2592 4.9186 4.9186 5.6881 5.6881 5.7305 5.7305 5.9129 5.9129 6.6719 6.6719 7.5673 7.5673 7.6161 7.6161 14.8575 14.8575 20.7040 20.7040 21.6918 21.6918 25.5227 25.5227 k = 0.4189-0.2419 0.3420 ( 716 PWs) bands (ev): -7.0153 -7.0153 4.2936 4.2936 4.9143 4.9143 5.7007 5.7007 5.7359 5.7359 5.9255 5.9255 6.6250 6.6250 7.5400 7.5400 7.5883 7.5883 14.8075 14.8075 20.7313 20.7313 21.6635 21.6635 25.5318 25.5318 k = 0.4257-0.2458 0.3476 ( 716 PWs) bands (ev): -7.0015 -7.0015 4.3286 4.3286 4.9104 4.9104 5.7124 5.7124 5.7407 5.7407 5.9380 5.9380 6.5791 6.5791 7.5141 7.5141 7.5620 7.5620 14.7603 14.7603 20.7581 20.7581 21.6374 21.6374 25.5406 25.5406 k = 0.4324-0.2497 0.3531 ( 716 PWs) bands (ev): -6.9889 -6.9889 4.3638 4.3638 4.9067 4.9067 5.7229 5.7229 5.7449 5.7449 5.9502 5.9502 6.5347 6.5347 7.4898 7.4898 7.5372 7.5372 14.7161 14.7161 20.7840 20.7840 21.6136 21.6136 25.5490 25.5490 k = 0.4392-0.2536 0.3586 ( 716 PWs) bands (ev): -6.9774 -6.9774 4.3986 4.3986 4.9034 4.9034 5.7322 5.7322 5.7486 5.7486 5.9619 5.9619 6.4922 6.4922 7.4671 7.4671 7.5140 7.5140 14.6752 14.6752 20.8085 20.8085 21.5922 21.5922 25.5569 25.5569 k = 0.4459-0.2575 0.3641 ( 708 PWs) bands (ev): -6.9671 -6.9671 4.4326 4.4326 4.9009 4.9009 5.7402 5.7402 5.7520 5.7520 5.9731 5.9731 6.4524 6.4524 7.4463 7.4463 7.4928 7.4928 14.6381 14.6381 20.8313 20.8313 21.5730 21.5730 25.5642 25.5642 k = 0.4527-0.2614 0.3696 ( 708 PWs) bands (ev): -6.9580 -6.9580 4.4650 4.4650 4.8983 4.8983 5.7466 5.7466 5.7548 5.7548 5.9834 5.9834 6.4156 6.4156 7.4275 7.4275 7.4735 7.4735 14.6048 14.6048 20.8521 20.8521 21.5561 21.5561 25.5708 25.5708 k = 0.4595-0.2653 0.3751 ( 716 PWs) bands (ev): -6.9501 -6.9501 4.4952 4.4952 4.8958 4.8958 5.7514 5.7514 5.7568 5.7568 5.9926 5.9926 6.3824 6.3824 7.4109 7.4109 7.4564 7.4564 14.5755 14.5755 20.8705 20.8705 21.5414 21.5414 25.5766 25.5766 k = 0.4662-0.2692 0.3807 ( 716 PWs) bands (ev): -6.9434 -6.9434 4.5225 4.5225 4.8938 4.8938 5.7550 5.7550 5.7588 5.7588 6.0008 6.0008 6.3536 6.3536 7.3965 7.3965 7.4417 7.4417 14.5506 14.5506 20.8865 20.8865 21.5290 21.5290 25.5816 25.5816 k = 0.4730-0.2731 0.3862 ( 724 PWs) bands (ev): -6.9380 -6.9380 4.5462 4.5462 4.8919 4.8919 5.7570 5.7570 5.7603 5.7603 6.0075 6.0075 6.3293 6.3293 7.3846 7.3846 7.4294 7.4294 14.5300 14.5300 20.8998 20.8998 21.5188 21.5188 25.5858 25.5858 k = 0.4797-0.2770 0.3917 ( 724 PWs) bands (ev): -6.9337 -6.9337 4.5655 4.5655 4.8907 4.8907 5.7583 5.7583 5.7615 5.7615 6.0130 6.0130 6.3102 6.3102 7.3752 7.3752 7.4197 7.4197 14.5138 14.5138 20.9104 20.9104 21.5109 21.5109 25.5891 25.5891 k = 0.4865-0.2809 0.3972 ( 724 PWs) bands (ev): -6.9307 -6.9307 4.5798 4.5798 4.8898 4.8898 5.7589 5.7589 5.7624 5.7624 6.0171 6.0171 6.2964 6.2964 7.3684 7.3684 7.4127 7.4127 14.5023 14.5023 20.9180 20.9180 21.5053 21.5053 25.5915 25.5915 k = 0.4932-0.2848 0.4027 ( 724 PWs) bands (ev): -6.9288 -6.9288 4.5887 4.5887 4.8892 4.8892 5.7591 5.7591 5.7629 5.7629 6.0195 6.0195 6.2881 6.2881 7.3643 7.3643 7.4085 7.4085 14.4953 14.4953 20.9225 20.9225 21.5019 21.5019 25.5930 25.5930 k = 0.5000-0.2887 0.4082 ( 724 PWs) bands (ev): -6.9282 -6.9282 4.5916 4.5916 4.8891 4.8891 5.7591 5.7591 5.7631 5.7631 6.0203 6.0203 6.2853 6.2853 7.3629 7.3629 7.4071 7.4071 14.4930 14.4930 20.9241 20.9241 21.5008 21.5008 25.5934 25.5934 k = 0.5000-0.2887 0.4082 ( 724 PWs) bands (ev): -6.9282 -6.9282 4.5916 4.5916 4.8891 4.8891 5.7591 5.7591 5.7631 5.7631 6.0203 6.0203 6.2853 6.2853 7.3629 7.3629 7.4071 7.4071 14.4930 14.4930 20.9241 20.9241 21.5008 21.5008 25.5934 25.5934 k = 0.5000-0.2809 0.4138 ( 724 PWs) bands (ev): -6.9281 -6.9281 4.5914 4.5914 4.8887 4.8887 5.7594 5.7594 5.7610 5.7610 6.0203 6.0203 6.2840 6.2840 7.3643 7.3643 7.4082 7.4082 14.4966 14.4966 20.9238 20.9238 21.4986 21.4986 25.5937 25.5937 k = 0.5000-0.2731 0.4193 ( 724 PWs) bands (ev): -6.9276 -6.9276 4.5907 4.5907 4.8876 4.8876 5.7541 5.7541 5.7609 5.7609 6.0202 6.0202 6.2805 6.2805 7.3676 7.3676 7.4123 7.4123 14.5075 14.5075 20.9228 20.9228 21.4922 21.4922 25.5923 25.5923 k = 0.5000-0.2653 0.4248 ( 724 PWs) bands (ev): -6.9267 -6.9267 4.5896 4.5896 4.8855 4.8855 5.7430 5.7430 5.7628 5.7628 6.0204 6.0204 6.2750 6.2750 7.3708 7.3708 7.4211 7.4211 14.5257 14.5257 20.9212 20.9212 21.4817 21.4817 25.5839 25.5839 k = 0.5000-0.2575 0.4303 ( 724 PWs) bands (ev): -6.9256 -6.9256 4.5881 4.5881 4.8828 4.8828 5.7269 5.7269 5.7656 5.7656 6.0212 6.0212 6.2681 6.2681 7.3720 7.3720 7.4358 7.4358 14.5510 14.5510 20.9190 20.9190 21.4674 21.4674 25.5631 25.5631 k = 0.5000-0.2497 0.4358 ( 724 PWs) bands (ev): -6.9241 -6.9241 4.5862 4.5862 4.8795 4.8795 5.7057 5.7057 5.7688 5.7688 6.0228 6.0228 6.2605 6.2605 7.3709 7.3709 7.4561 7.4561 14.5833 14.5833 20.9161 20.9161 21.4494 21.4494 25.5277 25.5277 k = 0.5000-0.2419 0.4413 ( 720 PWs) bands (ev): -6.9223 -6.9223 4.5840 4.5840 4.8757 4.8757 5.6795 5.6795 5.7726 5.7726 6.0257 6.0257 6.2528 6.2528 7.3680 7.3680 7.4807 7.4807 14.6227 14.6227 20.9127 20.9127 21.4282 21.4282 25.4788 25.4788 k = 0.5000-0.2341 0.4469 ( 720 PWs) bands (ev): -6.9202 -6.9202 4.5815 4.5815 4.8709 4.8709 5.6484 5.6484 5.7766 5.7766 6.0300 6.0300 6.2453 6.2453 7.3636 7.3636 7.5086 7.5086 14.6688 14.6688 20.9087 20.9087 21.4040 21.4040 25.4181 25.4181 k = 0.5000-0.2263 0.4524 ( 720 PWs) bands (ev): -6.9178 -6.9178 4.5787 4.5787 4.8655 4.8655 5.6128 5.6128 5.7808 5.7808 6.0361 6.0361 6.2384 6.2384 7.3580 7.3580 7.5387 7.5387 14.7215 14.7215 20.9041 20.9041 21.3774 21.3774 25.3470 25.3470 k = 0.5000-0.2185 0.4579 ( 720 PWs) bands (ev): -6.9152 -6.9152 4.5757 4.5757 4.8594 4.8594 5.5731 5.5731 5.7850 5.7850 6.0441 6.0441 6.2324 6.2324 7.3513 7.3513 7.5704 7.5704 14.7806 14.7806 20.8990 20.8990 21.3487 21.3487 25.2664 25.2664 k = 0.5000-0.2107 0.4634 ( 720 PWs) bands (ev): -6.9123 -6.9123 4.5726 4.5726 4.8527 4.8527 5.5301 5.5301 5.7891 5.7891 6.0539 6.0539 6.2272 6.2272 7.3436 7.3436 7.6029 7.6029 14.8460 14.8460 20.8933 20.8933 21.3183 21.3183 25.1772 25.1772 k = 0.5000-0.2029 0.4689 ( 716 PWs) bands (ev): -6.9091 -6.9091 4.5694 4.5694 4.8454 4.8454 5.4844 5.4844 5.7932 5.7932 6.0657 6.0657 6.2231 6.2231 7.3350 7.3350 7.6359 7.6359 14.9172 14.9172 20.8872 20.8872 21.2868 21.2868 25.0802 25.0802 k = 0.5000-0.1951 0.4745 ( 716 PWs) bands (ev): -6.9058 -6.9058 4.5661 4.5661 4.8374 4.8374 5.4365 5.4365 5.7970 5.7970 6.0790 6.0790 6.2199 6.2199 7.3254 7.3254 7.6688 7.6688 14.9941 14.9941 20.8806 20.8806 21.2543 21.2543 24.9760 24.9760 k = 0.5000-0.1872 0.4800 ( 716 PWs) bands (ev): -6.9023 -6.9023 4.5628 4.5628 4.8288 4.8288 5.3871 5.3871 5.8005 5.8005 6.0939 6.0939 6.2177 6.2177 7.3148 7.3148 7.7013 7.7013 15.0763 15.0763 20.8737 20.8737 21.2213 21.2213 24.8654 24.8654 k = 0.5000-0.1794 0.4855 ( 716 PWs) bands (ev): -6.8986 -6.8986 4.5596 4.5596 4.8197 4.8197 5.3368 5.3368 5.8036 5.8036 6.1099 6.1099 6.2168 6.2168 7.3033 7.3033 7.7332 7.7332 15.1635 15.1635 20.8663 20.8663 21.1882 21.1882 24.7490 24.7490 k = 0.5000-0.1716 0.4910 ( 716 PWs) bands (ev): -6.8948 -6.8948 4.5565 4.5565 4.8100 4.8100 5.2862 5.2862 5.8065 5.8065 6.1264 6.1264 6.2175 6.2175 7.2908 7.2908 7.7643 7.7643 15.2553 15.2553 20.8587 20.8587 21.1551 21.1551 24.6274 24.6274 k = 0.5000-0.1638 0.4965 ( 716 PWs) bands (ev): -6.8908 -6.8908 4.5534 4.5534 4.7998 4.7998 5.2357 5.2357 5.8091 5.8091 6.1423 6.1423 6.2207 6.2207 7.2774 7.2774 7.7942 7.7942 15.3513 15.3513 20.8508 20.8508 21.1225 21.1225 24.5014 24.5014 k = 0.5000-0.1560 0.5020 ( 720 PWs) bands (ev): -6.8868 -6.8868 4.5506 4.5506 4.7889 4.7889 5.1856 5.1856 5.8114 5.8114 6.1563 6.1563 6.2277 6.2277 7.2630 7.2630 7.8230 7.8230 15.4510 15.4510 20.8426 20.8426 21.0904 21.0904 24.3716 24.3716 k = 0.5000-0.1482 0.5076 ( 720 PWs) bands (ev): -6.8828 -6.8828 4.5479 4.5479 4.7777 4.7777 5.1367 5.1367 5.8134 5.8134 6.1667 6.1667 6.2399 6.2399 7.2477 7.2477 7.8505 7.8505 15.5541 15.5541 20.8343 20.8343 21.0592 21.0592 24.2389 24.2389 k = 0.5000-0.1404 0.5131 ( 716 PWs) bands (ev): -6.8787 -6.8787 4.5454 4.5454 4.7662 4.7662 5.0890 5.0890 5.8152 5.8152 6.1734 6.1734 6.2575 6.2575 7.2314 7.2314 7.8768 7.8768 15.6599 15.6599 20.8258 20.8258 21.0290 21.0290 24.1038 24.1038 k = 0.5000-0.1326 0.5186 ( 716 PWs) bands (ev): -6.8746 -6.8746 4.5430 4.5430 4.7541 4.7541 5.0432 5.0432 5.8168 5.8168 6.1772 6.1772 6.2790 6.2790 7.2142 7.2142 7.9015 7.9015 15.7680 15.7680 20.8173 20.8173 21.0000 21.0000 23.9671 23.9671 k = 0.5000-0.1248 0.5241 ( 714 PWs) bands (ev): -6.8706 -6.8706 4.5408 4.5408 4.7415 4.7415 4.9997 4.9997 5.8181 5.8181 6.1794 6.1794 6.3034 6.3034 7.1960 7.1960 7.9248 7.9248 15.8776 15.8776 20.8087 20.8087 20.9724 20.9724 23.8297 23.8297 k = 0.5000-0.1170 0.5296 ( 718 PWs) bands (ev): -6.8666 -6.8666 4.5387 4.5387 4.7283 4.7283 4.9584 4.9584 5.8193 5.8193 6.1806 6.1806 6.3296 6.3296 7.1769 7.1769 7.9466 7.9466 15.9882 15.9882 20.8002 20.8002 20.9461 20.9461 23.6923 23.6923 k = 0.5000-0.1092 0.5351 ( 718 PWs) bands (ev): -6.8627 -6.8627 4.5365 4.5365 4.7150 4.7150 4.9198 4.9198 5.8203 5.8203 6.1813 6.1813 6.3572 6.3572 7.1570 7.1570 7.9670 7.9670 16.0990 16.0990 20.7918 20.7918 20.9214 20.9214 23.5559 23.5559 k = 0.5000-0.1014 0.5407 ( 718 PWs) bands (ev): -6.8590 -6.8590 4.5343 4.5343 4.7014 4.7014 4.8843 4.8843 5.8213 5.8213 6.1817 6.1817 6.3859 6.3859 7.1361 7.1361 7.9858 7.9858 16.2093 16.2093 20.7835 20.7835 20.8983 20.8983 23.4212 23.4212 k = 0.5000-0.0936 0.5462 ( 718 PWs) bands (ev): -6.8554 -6.8554 4.5318 4.5318 4.6878 4.6878 4.8520 4.8520 5.8221 5.8221 6.1819 6.1819 6.4154 6.4154 7.1143 7.1143 8.0032 8.0032 16.3182 16.3182 20.7755 20.7755 20.8768 20.8768 23.2894 23.2894 k = 0.5000-0.0858 0.5517 ( 716 PWs) bands (ev): -6.8519 -6.8519 4.5288 4.5288 4.6747 4.6747 4.8229 4.8229 5.8228 5.8228 6.1821 6.1821 6.4455 6.4455 7.0917 7.0917 8.0191 8.0191 16.4248 16.4248 20.7678 20.7678 20.8571 20.8571 23.1613 23.1613 k = 0.5000-0.0780 0.5572 ( 716 PWs) bands (ev): -6.8487 -6.8487 4.5251 4.5251 4.6623 4.6623 4.7969 4.7969 5.8234 5.8234 6.1822 6.1822 6.4760 6.4760 7.0683 7.0683 8.0335 8.0335 16.5281 16.5281 20.7603 20.7603 20.8391 20.8391 23.0382 23.0382 k = 0.5000-0.0702 0.5627 ( 712 PWs) bands (ev): -6.8457 -6.8457 4.5205 4.5205 4.6515 4.6515 4.7741 4.7741 5.8239 5.8239 6.1822 6.1822 6.5070 6.5070 7.0441 7.0441 8.0465 8.0465 16.6270 16.6270 20.7533 20.7533 20.8231 20.8231 22.9212 22.9212 k = 0.5000-0.0624 0.5682 ( 712 PWs) bands (ev): -6.8429 -6.8429 4.5148 4.5148 4.6426 4.6426 4.7539 4.7539 5.8244 5.8244 6.1823 6.1823 6.5381 6.5381 7.0191 7.0191 8.0581 8.0581 16.7203 16.7203 20.7468 20.7468 20.8087 20.8087 22.8114 22.8114 k = 0.5000-0.0546 0.5738 ( 712 PWs) bands (ev): -6.8405 -6.8405 4.5082 4.5082 4.6360 4.6360 4.7360 4.7360 5.8247 5.8247 6.1823 6.1823 6.5693 6.5693 6.9935 6.9935 8.0682 8.0682 16.8069 16.8069 20.7407 20.7407 20.7960 20.7960 22.7103 22.7103 k = 0.5000-0.0468 0.5793 ( 712 PWs) bands (ev): -6.8383 -6.8383 4.5009 4.5009 4.6319 4.6319 4.7202 4.7202 5.8251 5.8251 6.1823 6.1823 6.6005 6.6005 6.9672 6.9672 8.0770 8.0770 16.8854 16.8854 20.7352 20.7352 20.7852 20.7852 22.6190 22.6190 k = 0.5000-0.0390 0.5848 ( 712 PWs) bands (ev): -6.8364 -6.8364 4.4934 4.4934 4.6302 4.6302 4.7062 4.7062 5.8253 5.8253 6.1822 6.1822 6.6316 6.6316 6.9403 6.9403 8.0843 8.0843 16.9546 16.9546 20.7304 20.7304 20.7761 20.7761 22.5389 22.5389 k = 0.5000-0.0312 0.5903 ( 712 PWs) bands (ev): -6.8349 -6.8349 4.4865 4.4865 4.6304 4.6304 4.6938 4.6938 5.8255 5.8255 6.1822 6.1822 6.6623 6.6623 6.9131 6.9131 8.0904 8.0904 17.0133 17.0133 20.7263 20.7263 20.7688 20.7688 22.4713 22.4713 k = 0.5000-0.0234 0.5958 ( 720 PWs) bands (ev): -6.8337 -6.8337 4.4804 4.4804 4.6321 4.6321 4.6830 4.6830 5.8255 5.8255 6.1820 6.1820 6.6923 6.6923 6.8858 6.8858 8.0950 8.0950 17.0603 17.0603 20.7230 20.7230 20.7631 20.7631 22.4174 22.4174 k = 0.5000-0.0156 0.6013 ( 720 PWs) bands (ev): -6.8328 -6.8328 4.4759 4.4759 4.6349 4.6349 4.6740 4.6740 5.8256 5.8256 6.1820 6.1820 6.7210 6.7210 6.8591 6.8591 8.0983 8.0983 17.0947 17.0947 20.7206 20.7206 20.7591 20.7591 22.3780 22.3780 k = 0.5000-0.0078 0.6069 ( 724 PWs) bands (ev): -6.8322 -6.8322 4.4728 4.4728 4.6378 4.6378 4.6673 4.6673 5.8257 5.8257 6.1820 6.1820 6.7458 6.7458 6.8354 6.8354 8.1003 8.1003 17.1156 17.1156 20.7191 20.7191 20.7568 20.7568 22.3541 22.3541 k = 0.5000-0.0000 0.6124 ( 724 PWs) bands (ev): -6.8321 -6.8321 4.4719 4.4719 4.6392 4.6392 4.6647 4.6647 5.8257 5.8257 6.1820 6.1820 6.7579 6.7579 6.8237 6.8237 8.1010 8.1010 17.1226 17.1226 20.7186 20.7186 20.7560 20.7560 22.3461 22.3461 k = 0.5000-0.0000 0.6124 ( 724 PWs) bands (ev): -6.8321 -6.8321 4.4719 4.4719 4.6392 4.6392 4.6647 4.6647 5.8257 5.8257 6.1820 6.1820 6.7579 6.7579 6.8237 6.8237 8.1010 8.1010 17.1226 17.1226 20.7186 20.7186 20.7560 20.7560 22.3461 22.3461 k = 0.4954 0.0080 0.6124 ( 724 PWs) bands (ev): -6.8322 -6.8322 4.4711 4.4711 4.6362 4.6362 4.6685 4.6685 5.8255 5.8255 6.1807 6.1807 6.7526 6.7526 6.8304 6.8304 8.1026 8.1026 17.1201 17.1201 20.7163 20.7163 20.7539 20.7539 22.3545 22.3545 k = 0.4907 0.0160 0.6124 ( 720 PWs) bands (ev): -6.8327 -6.8327 4.4690 4.4690 4.6296 4.6296 4.6772 4.6772 5.8248 5.8248 6.1769 6.1769 6.7404 6.7404 6.8464 6.8464 8.1078 8.1078 17.1125 17.1125 20.7083 20.7083 20.7489 20.7489 22.3799 22.3799 k = 0.4861 0.0241 0.6124 ( 716 PWs) bands (ev): -6.8335 -6.8335 4.4657 4.4657 4.6219 4.6219 4.6882 4.6882 5.8237 5.8237 6.1708 6.1708 6.7259 6.7259 6.8667 6.8667 8.1166 8.1166 17.1000 17.1000 20.6921 20.6921 20.7440 20.7440 22.4215 22.4215 k = 0.4815 0.0321 0.6124 ( 716 PWs) bands (ev): -6.8346 -6.8346 4.4612 4.4612 4.6140 4.6140 4.7002 4.7002 5.8221 5.8221 6.1624 6.1624 6.7110 6.7110 6.8888 6.8888 8.1291 8.1291 17.0827 17.0827 20.6669 20.6669 20.7412 20.7412 22.4783 22.4783 k = 0.4769 0.0401 0.6124 ( 714 PWs) bands (ev): -6.8358 -6.8358 4.4560 4.4560 4.6064 4.6064 4.7130 4.7130 5.8201 5.8201 6.1521 6.1521 6.6965 6.6965 6.9114 6.9114 8.1455 8.1455 17.0607 17.0607 20.6345 20.6345 20.7402 20.7402 22.5486 22.5486 k = 0.4722 0.0481 0.6124 ( 714 PWs) bands (ev): -6.8373 -6.8373 4.4499 4.4499 4.5991 4.5991 4.7263 4.7263 5.8177 5.8177 6.1401 6.1401 6.6826 6.6826 6.9337 6.9337 8.1656 8.1656 17.0343 17.0343 20.5972 20.5972 20.7401 20.7401 22.6309 22.6309 k = 0.4676 0.0561 0.6124 ( 714 PWs) bands (ev): -6.8389 -6.8389 4.4432 4.4432 4.5923 4.5923 4.7400 4.7400 5.8149 5.8149 6.1266 6.1266 6.6695 6.6695 6.9553 6.9553 8.1894 8.1894 17.0039 17.0039 20.5567 20.5567 20.7408 20.7408 22.7235 22.7235 k = 0.4630 0.0642 0.6124 ( 717 PWs) bands (ev): -6.8406 -6.8406 4.4359 4.4359 4.5858 4.5858 4.7540 4.7540 5.8118 5.8118 6.1119 6.1119 6.6573 6.6573 6.9756 6.9756 8.2166 8.2166 16.9697 16.9697 20.5144 20.5144 20.7419 20.7419 22.8248 22.8248 k = 0.4583 0.0722 0.6124 ( 719 PWs) bands (ev): -6.8425 -6.8425 4.4283 4.4283 4.5799 4.5799 4.7682 4.7682 5.8084 5.8084 6.0962 6.0962 6.6459 6.6459 6.9945 6.9945 8.2470 8.2470 16.9323 16.9323 20.4716 20.4716 20.7433 20.7433 22.9335 22.9335 k = 0.4537 0.0802 0.6124 ( 719 PWs) bands (ev): -6.8444 -6.8444 4.4204 4.4204 4.5745 4.5745 4.7825 4.7825 5.8048 5.8048 6.0798 6.0798 6.6354 6.6354 7.0120 7.0120 8.2802 8.2802 16.8921 16.8921 20.4291 20.4291 20.7450 20.7450 23.0485 23.0485 k = 0.4491 0.0882 0.6124 ( 717 PWs) bands (ev): -6.8464 -6.8464 4.4124 4.4124 4.5696 4.5696 4.7970 4.7970 5.8011 5.8011 6.0628 6.0628 6.6257 6.6257 7.0278 7.0278 8.3158 8.3158 16.8496 16.8496 20.3878 20.3878 20.7468 20.7468 23.1686 23.1686 k = 0.4444 0.0962 0.6124 ( 717 PWs) bands (ev): -6.8484 -6.8484 4.4043 4.4043 4.5651 4.5651 4.8114 4.8114 5.7972 5.7972 6.0455 6.0455 6.6167 6.6167 7.0420 7.0420 8.3533 8.3533 16.8054 16.8054 20.3480 20.3480 20.7487 20.7487 23.2927 23.2927 k = 0.4398 0.1042 0.6124 ( 715 PWs) bands (ev): -6.8504 -6.8504 4.3962 4.3962 4.5610 4.5610 4.8258 4.8258 5.7933 5.7933 6.0282 6.0282 6.6086 6.6086 7.0545 7.0545 8.3920 8.3920 16.7601 16.7601 20.3103 20.3103 20.7508 20.7508 23.4200 23.4200 k = 0.4352 0.1123 0.6124 ( 715 PWs) bands (ev): -6.8523 -6.8523 4.3882 4.3882 4.5574 4.5574 4.8399 4.8399 5.7892 5.7892 6.0108 6.0108 6.6012 6.6012 7.0656 7.0656 8.4315 8.4315 16.7142 16.7142 20.2749 20.2749 20.7528 20.7528 23.5494 23.5494 k = 0.4306 0.1203 0.6124 ( 715 PWs) bands (ev): -6.8542 -6.8542 4.3805 4.3805 4.5541 4.5541 4.8538 4.8538 5.7851 5.7851 5.9938 5.9938 6.5944 6.5944 7.0753 7.0753 8.4711 8.4711 16.6684 16.6684 20.2419 20.2419 20.7548 20.7548 23.6800 23.6800 k = 0.4259 0.1283 0.6124 ( 715 PWs) bands (ev): -6.8561 -6.8561 4.3731 4.3731 4.5511 4.5511 4.8672 4.8672 5.7811 5.7811 5.9772 5.9772 6.5884 6.5884 7.0836 7.0836 8.5102 8.5102 16.6233 16.6233 20.2116 20.2116 20.7568 20.7568 23.8107 23.8107 k = 0.4213 0.1363 0.6124 ( 716 PWs) bands (ev): -6.8578 -6.8578 4.3660 4.3660 4.5485 4.5485 4.8802 4.8802 5.7771 5.7771 5.9614 5.9614 6.5829 6.5829 7.0908 7.0908 8.5483 8.5483 16.5796 16.5796 20.1839 20.1839 20.7587 20.7587 23.9405 23.9405 k = 0.4167 0.1443 0.6124 ( 716 PWs) bands (ev): -6.8595 -6.8595 4.3594 4.3594 4.5462 4.5462 4.8924 4.8924 5.7732 5.7732 5.9463 5.9463 6.5781 6.5781 7.0970 7.0970 8.5847 8.5847 16.5379 16.5379 20.1590 20.1590 20.7604 20.7604 24.0680 24.0680 k = 0.4120 0.1524 0.6124 ( 716 PWs) bands (ev): -6.8610 -6.8610 4.3534 4.3534 4.5442 4.5442 4.9040 4.9040 5.7695 5.7695 5.9324 5.9324 6.5739 6.5739 7.1022 7.1022 8.6190 8.6190 16.4987 16.4987 20.1367 20.1367 20.7621 20.7621 24.1919 24.1919 k = 0.4074 0.1604 0.6124 ( 716 PWs) bands (ev): -6.8623 -6.8623 4.3481 4.3481 4.5424 4.5424 4.9146 4.9146 5.7659 5.7659 5.9196 5.9196 6.5702 6.5702 7.1067 7.1067 8.6505 8.6505 16.4626 16.4626 20.1172 20.1172 20.7636 20.7636 24.3104 24.3104 k = 0.4028 0.1684 0.6124 ( 716 PWs) bands (ev): -6.8635 -6.8635 4.3433 4.3433 4.5409 4.5409 4.9242 4.9242 5.7626 5.7626 5.9082 5.9082 6.5670 6.5670 7.1103 7.1103 8.6789 8.6789 16.4302 16.4302 20.1004 20.1004 20.7650 20.7650 24.4215 24.4215 k = 0.3981 0.1764 0.6124 ( 716 PWs) bands (ev): -6.8646 -6.8646 4.3392 4.3392 4.5396 4.5396 4.9325 4.9325 5.7597 5.7597 5.8984 5.8984 6.5644 6.5644 7.1133 7.1133 8.7036 8.7036 16.4019 16.4019 20.0863 20.0863 20.7661 20.7661 24.5229 24.5229 k = 0.3935 0.1844 0.6124 ( 716 PWs) bands (ev): -6.8654 -6.8654 4.3357 4.3357 4.5386 4.5386 4.9396 4.9396 5.7571 5.7571 5.8903 5.8903 6.5622 6.5622 7.1156 7.1156 8.7244 8.7244 16.3782 16.3782 20.0748 20.0748 20.7671 20.7671 24.6118 24.6118 k = 0.3889 0.1925 0.6124 ( 713 PWs) bands (ev): -6.8661 -6.8661 4.3331 4.3331 4.5378 4.5378 4.9454 4.9454 5.7551 5.7551 5.8839 5.8839 6.5606 6.5606 7.1174 7.1174 8.7409 8.7409 16.3594 16.3594 20.0658 20.0658 20.7679 20.7679 24.6855 24.6855 k = 0.3843 0.2005 0.6124 ( 716 PWs) bands (ev): -6.8666 -6.8666 4.3311 4.3311 4.5373 4.5373 4.9493 4.9493 5.7535 5.7535 5.8792 5.8792 6.5594 6.5594 7.1186 7.1186 8.7529 8.7529 16.3457 16.3457 20.0595 20.0595 20.7684 20.7684 24.7408 24.7408 k = 0.3796 0.2085 0.6124 ( 718 PWs) bands (ev): -6.8669 -6.8669 4.3298 4.3298 4.5369 4.5369 4.9517 4.9517 5.7526 5.7526 5.8764 5.8764 6.5587 6.5587 7.1193 7.1193 8.7601 8.7601 16.3374 16.3374 20.0557 20.0557 20.7688 20.7688 24.7752 24.7752 k = 0.3750 0.2165 0.6124 ( 718 PWs) bands (ev): -6.8670 -6.8670 4.3295 4.3295 4.5368 4.5368 4.9526 4.9526 5.7523 5.7523 5.8755 5.8755 6.5585 6.5585 7.1195 7.1195 8.7625 8.7625 16.3346 16.3346 20.0544 20.0544 20.7689 20.7689 24.7869 24.7869 k = 0.3750 0.2165 0.6124 ( 718 PWs) bands (ev): -6.8670 -6.8670 4.3295 4.3295 4.5368 4.5368 4.9526 4.9526 5.7523 5.7523 5.8755 5.8755 6.5585 6.5585 7.1195 7.1195 8.7625 8.7625 16.3346 16.3346 20.0544 20.0544 20.7689 20.7689 24.7869 24.7869 k = 0.3703 0.2138 0.6046 ( 718 PWs) bands (ev): -6.8666 -6.8666 4.2807 4.2807 4.5370 4.5370 4.9202 4.9202 5.7523 5.7523 5.8685 5.8685 6.5991 6.5991 7.1119 7.1119 8.8320 8.8320 16.4441 16.4441 19.9523 19.9523 20.7620 20.7620 24.7345 24.7345 k = 0.3655 0.2110 0.5969 ( 718 PWs) bands (ev): -6.8667 -6.8667 4.2316 4.2316 4.5376 4.5376 4.8891 4.8891 5.7527 5.7527 5.8622 5.8622 6.6407 6.6407 7.1047 7.1047 8.9010 8.9010 16.5546 16.5546 19.8482 19.8482 20.7557 20.7557 24.6825 24.6825 k = 0.3608 0.2083 0.5891 ( 714 PWs) bands (ev): -6.8675 -6.8675 4.1825 4.1825 4.5386 4.5386 4.8595 4.8595 5.7534 5.7534 5.8565 5.8565 6.6831 6.6831 7.0978 7.0978 8.9693 8.9693 16.6661 16.6661 19.7422 19.7422 20.7499 20.7500 24.6310 24.6310 k = 0.3560 0.2055 0.5814 ( 716 PWs) bands (ev): -6.8691 -6.8691 4.1337 4.1337 4.5400 4.5400 4.8310 4.8310 5.7542 5.7542 5.8515 5.8515 6.7262 6.7262 7.0913 7.0913 9.0369 9.0369 16.7786 16.7786 19.6346 19.6346 20.7449 20.7449 24.5803 24.5803 k = 0.3513 0.2028 0.5736 ( 716 PWs) bands (ev): -6.8713 -6.8713 4.0857 4.0857 4.5418 4.5418 4.8040 4.8040 5.7549 5.7549 5.8472 5.8472 6.7699 6.7699 7.0851 7.0851 9.1036 9.1036 16.8919 16.8919 19.5254 19.5254 20.7407 20.7407 24.5306 24.5306 k = 0.3465 0.2001 0.5659 ( 716 PWs) bands (ev): -6.8744 -6.8744 4.0387 4.0387 4.5438 4.5438 4.7785 4.7785 5.7553 5.7553 5.8437 5.8437 6.8141 6.8141 7.0793 7.0793 9.1694 9.1694 17.0062 17.0062 19.4150 19.4150 20.7374 20.7374 24.4820 24.4820 k = 0.3418 0.1973 0.5581 ( 716 PWs) bands (ev): -6.8783 -6.8783 3.9931 3.9931 4.5461 4.5461 4.7545 4.7545 5.7552 5.7552 5.8411 5.8411 6.8587 6.8587 7.0741 7.0741 9.2339 9.2339 17.1212 17.1212 19.3033 19.3033 20.7351 20.7351 24.4349 24.4349 k = 0.3370 0.1946 0.5504 ( 716 PWs) bands (ev): -6.8831 -6.8831 3.9491 3.9491 4.5485 4.5485 4.7323 4.7323 5.7544 5.7544 5.8394 5.8394 6.9034 6.9034 7.0695 7.0695 9.2973 9.2973 17.2370 17.2370 19.1908 19.1908 20.7338 20.7338 24.3895 24.3895 k = 0.3323 0.1918 0.5426 ( 716 PWs) bands (ev): -6.8888 -6.8888 3.9070 3.9070 4.5509 4.5509 4.7118 4.7118 5.7529 5.7529 5.8386 5.8386 6.9475 6.9475 7.0661 7.0661 9.3592 9.3592 17.3535 17.3535 19.0775 19.0775 20.7337 20.7337 24.3459 24.3459 k = 0.3275 0.1891 0.5349 ( 716 PWs) bands (ev): -6.8956 -6.8956 3.8670 3.8670 4.5531 4.5531 4.6934 4.6934 5.7505 5.7505 5.8387 5.8387 6.9889 6.9889 7.0659 7.0659 9.4196 9.4196 17.4706 17.4706 18.9637 18.9637 20.7349 20.7349 24.3043 24.3043 k = 0.3228 0.1864 0.5271 ( 716 PWs) bands (ev): -6.9033 -6.9033 3.8293 3.8293 4.5549 4.5549 4.6774 4.6774 5.7473 5.7473 5.8396 5.8396 7.0201 7.0201 7.0766 7.0766 9.4784 9.4784 17.5880 17.5880 18.8499 18.8499 20.7374 20.7374 24.2650 24.2650 k = 0.3180 0.1836 0.5194 ( 716 PWs) bands (ev): -6.9122 -6.9122 3.7941 3.7941 4.5557 4.5557 4.6641 4.6641 5.7434 5.7434 5.8411 5.8411 7.0310 7.0310 7.1079 7.1079 9.5355 9.5355 17.7053 17.7053 18.7367 18.7367 20.7414 20.7414 24.2282 24.2282 k = 0.3133 0.1809 0.5116 ( 716 PWs) bands (ev): -6.9221 -6.9221 3.7616 3.7616 4.5553 4.5553 4.6540 4.6540 5.7388 5.7388 5.8430 5.8430 7.0314 7.0314 7.1502 7.1502 9.5907 9.5907 17.8213 17.8213 18.6252 18.6252 20.7470 20.7470 24.1940 24.1940 k = 0.3085 0.1781 0.5039 ( 716 PWs) bands (ev): -6.9331 -6.9331 3.7320 3.7320 4.5531 4.5531 4.6474 4.6474 5.7338 5.7338 5.8452 5.8452 7.0289 7.0289 7.1956 7.1956 9.6439 9.6439 17.9332 17.9332 18.5185 18.5185 20.7543 20.7543 24.1628 24.1628 k = 0.3038 0.1754 0.4961 ( 716 PWs) bands (ev): -6.9452 -6.9452 3.7053 3.7053 4.5492 4.5492 4.6445 4.6445 5.7282 5.7282 5.8475 5.8475 7.0256 7.0256 7.2421 7.2421 9.6950 9.6950 18.0319 18.0319 18.4258 18.4258 20.7634 20.7634 24.1346 24.1346 k = 0.2991 0.1727 0.4883 ( 718 PWs) bands (ev): -6.9585 -6.9585 3.6817 3.6817 4.5438 4.5438 4.6447 4.6447 5.7223 5.7223 5.8498 5.8498 7.0219 7.0219 7.2891 7.2891 9.7439 9.7439 18.0850 18.0850 18.3797 18.3797 20.7742 20.7742 24.1096 24.1096 k = 0.2943 0.1699 0.4806 ( 706 PWs) bands (ev): -6.9730 -6.9730 3.6614 3.6614 4.5380 4.5380 4.6479 4.6479 5.7163 5.7163 5.8523 5.8523 7.0183 7.0183 7.3363 7.3363 9.7906 9.7906 18.0493 18.0493 18.4235 18.4235 20.7872 20.7872 24.0882 24.0882 k = 0.2896 0.1672 0.4728 ( 706 PWs) bands (ev): -6.9887 -6.9887 3.6443 3.6443 4.5318 4.5318 4.6528 4.6528 5.7098 5.7098 5.8542 5.8542 7.0146 7.0146 7.3835 7.3835 9.8348 9.8348 17.9593 17.9593 18.5227 18.5227 20.8023 20.8023 24.0703 24.0703 k = 0.2848 0.1644 0.4651 ( 706 PWs) bands (ev): -7.0055 -7.0055 3.6306 3.6306 4.5258 4.5258 4.6593 4.6593 5.7032 5.7032 5.8559 5.8559 7.0110 7.0110 7.4307 7.4307 9.8764 9.8764 17.8520 17.8520 18.6405 18.6405 20.8195 20.8195 24.0563 24.0563 k = 0.2801 0.1617 0.4573 ( 706 PWs) bands (ev): -7.0235 -7.0235 3.6203 3.6203 4.5205 4.5205 4.6669 4.6669 5.6963 5.6963 5.8573 5.8573 7.0075 7.0075 7.4777 7.4777 9.9155 9.9155 17.7384 17.7384 18.7658 18.7658 20.8391 20.8391 24.0462 24.0462 k = 0.2753 0.1590 0.4496 ( 708 PWs) bands (ev): -7.0426 -7.0426 3.6135 3.6135 4.5159 4.5159 4.6756 4.6756 5.6893 5.6893 5.8582 5.8582 7.0041 7.0041 7.5245 7.5245 9.9518 9.9518 17.6220 17.6220 18.8955 18.8955 20.8610 20.8610 24.0402 24.0402 k = 0.2706 0.1562 0.4418 ( 708 PWs) bands (ev): -7.0629 -7.0629 3.6102 3.6102 4.5124 4.5124 4.6850 4.6850 5.6821 5.6821 5.8587 5.8587 7.0009 7.0009 7.5709 7.5709 9.9854 9.9854 17.5041 17.5041 19.0283 19.0283 20.8856 20.8856 24.0385 24.0385 k = 0.2658 0.1535 0.4341 ( 708 PWs) bands (ev): -7.0844 -7.0844 3.6104 3.6104 4.5101 4.5101 4.6951 4.6951 5.6749 5.6749 5.8587 5.8587 6.9979 6.9979 7.6171 7.6171 10.0161 10.0161 17.3852 17.3852 19.1637 19.1637 20.9128 20.9128 24.0412 24.0412 k = 0.2611 0.1507 0.4263 ( 708 PWs) bands (ev): -7.1069 -7.1069 3.6141 3.6141 4.5089 4.5089 4.7058 4.7058 5.6675 5.6675 5.8583 5.8583 6.9950 6.9950 7.6627 7.6627 10.0439 10.0439 17.2657 17.2657 19.3014 19.3014 20.9427 20.9427 24.0485 24.0485 k = 0.2563 0.1480 0.4186 ( 708 PWs) bands (ev): -7.1305 -7.1305 3.6213 3.6213 4.5089 4.5089 4.7171 4.7171 5.6601 5.6601 5.8573 5.8573 6.9924 6.9924 7.7080 7.7080 10.0687 10.0687 17.1458 17.1458 19.4413 19.4413 20.9754 20.9754 24.0604 24.0604 k = 0.2516 0.1453 0.4108 ( 712 PWs) bands (ev): -7.1552 -7.1552 3.6318 3.6318 4.5101 4.5101 4.7288 4.7288 5.6526 5.6526 5.8558 5.8558 6.9898 6.9898 7.7526 7.7526 10.0905 10.0905 17.0256 17.0256 19.5833 19.5833 21.0112 21.0112 24.0769 24.0769 k = 0.2468 0.1425 0.4031 ( 716 PWs) bands (ev): -7.1808 -7.1808 3.6459 3.6459 4.5125 4.5125 4.7408 4.7408 5.6451 5.6451 5.8536 5.8536 6.9877 6.9877 7.7967 7.7967 10.1092 10.1092 16.9051 16.9051 19.7275 19.7275 21.0499 21.0499 24.0984 24.0984 k = 0.2421 0.1398 0.3953 ( 716 PWs) bands (ev): -7.2074 -7.2074 3.6634 3.6634 4.5163 4.5163 4.7534 4.7534 5.6375 5.6375 5.8511 5.8511 6.9859 6.9859 7.8401 7.8401 10.1248 10.1248 16.7844 16.7844 19.8737 19.8737 21.0918 21.0918 24.1249 24.1249 k = 0.2373 0.1370 0.3876 ( 716 PWs) bands (ev): -7.2349 -7.2349 3.6843 3.6843 4.5213 4.5213 4.7664 4.7664 5.6300 5.6300 5.8480 5.8480 6.9844 6.9844 7.8828 7.8828 10.1374 10.1374 16.6635 16.6635 20.0221 20.0221 21.1370 21.1370 24.1563 24.1563 k = 0.2326 0.1343 0.3798 ( 716 PWs) bands (ev): -7.2633 -7.2633 3.7084 3.7084 4.5276 4.5276 4.7797 4.7797 5.6224 5.6224 5.8444 5.8444 6.9834 6.9834 7.9248 7.9248 10.1469 10.1469 16.5425 16.5425 20.1725 20.1725 21.1855 21.1855 24.1929 24.1929 k = 0.2278 0.1315 0.3721 ( 722 PWs) bands (ev): -7.2925 -7.2925 3.7357 3.7357 4.5350 4.5350 4.7932 4.7932 5.6148 5.6148 5.8400 5.8400 6.9827 6.9827 7.9660 7.9660 10.1532 10.1532 16.4213 16.4213 20.3250 20.3250 21.2374 21.2374 24.2345 24.2345 k = 0.2231 0.1288 0.3643 ( 720 PWs) bands (ev): -7.3224 -7.3224 3.7661 3.7661 4.5438 4.5438 4.8072 4.8072 5.6073 5.6073 5.8355 5.8355 6.9826 6.9826 8.0064 8.0064 10.1565 10.1565 16.3001 16.3001 20.4796 20.4796 21.2929 21.2929 24.2813 24.2813 k = 0.2184 0.1261 0.3566 ( 720 PWs) bands (ev): -7.3530 -7.3530 3.7994 3.7994 4.5538 4.5538 4.8214 4.8214 5.5998 5.5998 5.8304 5.8304 6.9830 6.9830 8.0459 8.0459 10.1567 10.1567 16.1786 16.1786 20.6363 20.6363 21.3520 21.3520 24.3332 24.3332 k = 0.2136 0.1233 0.3488 ( 728 PWs) bands (ev): -7.3842 -7.3842 3.8355 3.8355 4.5647 4.5647 4.8357 4.8357 5.5921 5.5921 5.8247 5.8247 6.9840 6.9840 8.0844 8.0844 10.1538 10.1538 16.0570 16.0570 20.7950 20.7950 21.4148 21.4148 24.3903 24.3903 k = 0.2089 0.1206 0.3411 ( 728 PWs) bands (ev): -7.4159 -7.4159 3.8744 3.8744 4.5772 4.5772 4.8504 4.8504 5.5847 5.5847 5.8187 5.8187 6.9858 6.9858 8.1221 8.1221 10.1480 10.1480 15.9352 15.9352 20.9556 20.9556 21.4816 21.4816 24.4526 24.4526 k = 0.2041 0.1178 0.3333 ( 728 PWs) bands (ev): -7.4482 -7.4482 3.9158 3.9158 4.5908 4.5908 4.8653 4.8653 5.5774 5.5774 5.8122 5.8122 6.9883 6.9883 8.1588 8.1588 10.1393 10.1393 15.8133 15.8133 21.1181 21.1181 21.5525 21.5525 24.5200 24.5200 k = 0.1994 0.1151 0.3256 ( 728 PWs) bands (ev): -7.4808 -7.4808 3.9597 3.9597 4.6056 4.6056 4.8803 4.8803 5.5701 5.5701 5.8053 5.8053 6.9918 6.9918 8.1945 8.1945 10.1277 10.1277 15.6911 15.6911 21.2821 21.2821 21.6278 21.6278 24.5926 24.5926 k = 0.1946 0.1124 0.3178 ( 728 PWs) bands (ev): -7.5138 -7.5138 4.0057 4.0057 4.6216 4.6216 4.8956 4.8956 5.5630 5.5630 5.7980 5.7980 6.9962 6.9962 8.2291 8.2291 10.1133 10.1133 15.5688 15.5688 21.4473 21.4473 21.7080 21.7080 24.6702 24.6702 k = 0.1899 0.1096 0.3101 ( 728 PWs) bands (ev): -7.5471 -7.5471 4.0538 4.0538 4.6386 4.6386 4.9110 4.9110 5.5560 5.5560 5.7904 5.7904 7.0017 7.0017 8.2628 8.2628 10.0962 10.0962 15.4462 15.4462 21.6121 21.6121 21.7945 21.7945 24.7529 24.7529 k = 0.1851 0.1069 0.3023 ( 728 PWs) bands (ev): -7.5806 -7.5806 4.1037 4.1037 4.6568 4.6568 4.9265 4.9265 5.5491 5.5491 5.7824 5.7824 7.0085 7.0085 8.2954 8.2954 10.0765 10.0765 15.3235 15.3235 21.7720 21.7720 21.8919 21.8919 24.8405 24.8405 k = 0.1804 0.1041 0.2946 ( 728 PWs) bands (ev): -7.6142 -7.6142 4.1553 4.1553 4.6760 4.6760 4.9421 4.9421 5.5423 5.5423 5.7741 5.7741 7.0165 7.0165 8.3269 8.3269 10.0542 10.0542 15.2004 15.2004 21.9130 21.9130 22.0143 22.0143 24.9330 24.9330 k = 0.1756 0.1014 0.2868 ( 720 PWs) bands (ev): -7.6479 -7.6479 4.2083 4.2083 4.6966 4.6966 4.9580 4.9580 5.5358 5.5358 5.7657 5.7657 7.0262 7.0262 8.3574 8.3574 10.0296 10.0296 15.0772 15.0772 22.0280 22.0280 22.1688 22.1688 25.0304 25.0304 k = 0.1709 0.0987 0.2791 ( 720 PWs) bands (ev): -7.6815 -7.6815 4.2623 4.2623 4.7179 4.7179 4.9739 4.9739 5.5294 5.5294 5.7569 5.7569 7.0374 7.0374 8.3867 8.3867 10.0027 10.0027 14.9537 14.9537 22.1338 22.1338 22.3386 22.3386 25.1325 25.1325 k = 0.1661 0.0959 0.2713 ( 716 PWs) bands (ev): -7.7151 -7.7151 4.3171 4.3171 4.7402 4.7402 4.9899 4.9899 5.5233 5.5233 5.7481 5.7481 7.0503 7.0503 8.4149 8.4149 9.9736 9.9736 14.8299 14.8299 22.2395 22.2395 22.5143 22.5143 25.2391 25.2391 k = 0.1614 0.0932 0.2636 ( 710 PWs) bands (ev): -7.7486 -7.7486 4.3726 4.3726 4.7634 4.7634 5.0060 5.0060 5.5175 5.5175 5.7392 5.7392 7.0653 7.0653 8.4420 8.4420 9.9425 9.9425 14.7059 14.7059 22.3479 22.3479 22.6934 22.6934 25.3503 25.3503 k = 0.1566 0.0904 0.2558 ( 710 PWs) bands (ev): -7.7819 -7.7819 4.4280 4.4280 4.7874 4.7874 5.0221 5.0221 5.5118 5.5118 5.7301 5.7301 7.0824 7.0824 8.4680 8.4680 9.9095 9.9095 14.5815 14.5815 22.4598 22.4598 22.8748 22.8748 25.4659 25.4659 k = 0.1519 0.0877 0.2480 ( 710 PWs) bands (ev): -7.8148 -7.8148 4.4834 4.4834 4.8123 4.8123 5.0383 5.0383 5.5063 5.5063 5.7209 5.7209 7.1017 7.1017 8.4929 8.4929 9.8747 9.8747 14.4569 14.4569 22.5756 22.5756 23.0581 23.0581 25.5858 25.5858 k = 0.1472 0.0850 0.2403 ( 714 PWs) bands (ev): -7.8475 -7.8475 4.5381 4.5381 4.8378 4.8378 5.0545 5.0545 5.5010 5.5010 5.7117 5.7117 7.1236 7.1236 8.5168 8.5168 9.8382 9.8382 14.3321 14.3321 22.6954 22.6954 23.2432 23.2432 25.7097 25.7097 k = 0.1424 0.0822 0.2325 ( 714 PWs) bands (ev): -7.8797 -7.8797 4.5919 4.5919 4.8641 4.8641 5.0712 5.0712 5.4962 5.4962 5.7027 5.7027 7.1482 7.1482 8.5395 8.5395 9.8002 9.8002 14.2070 14.2070 22.8194 22.8194 23.4297 23.4297 25.8376 25.8376 k = 0.1377 0.0795 0.2248 ( 706 PWs) bands (ev): -7.9115 -7.9115 4.6445 4.6445 4.8913 4.8913 5.0884 5.0884 5.4918 5.4918 5.6939 5.6939 7.1757 7.1757 8.5612 8.5612 9.7610 9.7610 14.0818 14.0818 22.9475 22.9475 23.6176 23.6176 25.9694 25.9694 k = 0.1329 0.0767 0.2170 ( 706 PWs) bands (ev): -7.9427 -7.9427 4.6953 4.6953 4.9184 4.9184 5.1059 5.1059 5.4877 5.4877 5.6852 5.6852 7.2062 7.2062 8.5818 8.5818 9.7205 9.7205 13.9563 13.9563 23.0799 23.0799 23.8066 23.8066 26.1048 26.1048 k = 0.1282 0.0740 0.2093 ( 706 PWs) bands (ev): -7.9734 -7.9734 4.7439 4.7439 4.9458 4.9458 5.1241 5.1241 5.4841 5.4841 5.6767 5.6767 7.2400 7.2400 8.6014 8.6014 9.6791 9.6791 13.8307 13.8307 23.2166 23.2166 23.9967 23.9967 26.2437 26.2437 k = 0.1234 0.0713 0.2015 ( 706 PWs) bands (ev): -8.0035 -8.0035 4.7901 4.7901 4.9729 4.9729 5.1432 5.1432 5.4808 5.4808 5.6685 5.6685 7.2772 7.2772 8.6200 8.6200 9.6367 9.6367 13.7049 13.7049 23.3575 23.3575 24.1876 24.1876 26.3857 26.3857 k = 0.1187 0.0685 0.1938 ( 706 PWs) bands (ev): -8.0328 -8.0328 4.8336 4.8336 4.9994 4.9994 5.1636 5.1636 5.4781 5.4781 5.6606 5.6606 7.3179 7.3179 8.6375 8.6375 9.5937 9.5937 13.5791 13.5791 23.5027 23.5027 24.3791 24.3791 26.5309 26.5309 k = 0.1139 0.0658 0.1860 ( 702 PWs) bands (ev): -8.0614 -8.0614 4.8742 4.8742 5.0247 5.0247 5.1857 5.1857 5.4758 5.4758 5.6535 5.6535 7.3624 7.3624 8.6542 8.6542 9.5501 9.5501 13.4534 13.4534 23.6521 23.6521 24.5711 24.5711 26.6788 26.6788 k = 0.1092 0.0630 0.1783 ( 703 PWs) bands (ev): -8.0892 -8.0892 4.9118 4.9118 5.0483 5.0483 5.2094 5.2094 5.4741 5.4741 5.6465 5.6465 7.4105 7.4105 8.6698 8.6698 9.5062 9.5062 13.3276 13.3276 23.8058 23.8058 24.7633 24.7633 26.8293 26.8293 k = 0.1044 0.0603 0.1705 ( 703 PWs) bands (ev): -8.1162 -8.1162 4.9465 4.9465 5.0697 5.0697 5.2348 5.2348 5.4729 5.4729 5.6403 5.6403 7.4624 7.4624 8.6845 8.6845 9.4621 9.4621 13.2021 13.2021 23.9637 23.9637 24.9556 24.9556 26.9821 26.9821 k = 0.0997 0.0576 0.1628 ( 711 PWs) bands (ev): -8.1423 -8.1423 4.9784 4.9784 5.0886 5.0886 5.2615 5.2615 5.4720 5.4720 5.6346 5.6346 7.5181 7.5181 8.6983 8.6983 9.4179 9.4179 13.0768 13.0768 24.1259 24.1259 25.1476 25.1476 27.1369 27.1369 k = 0.0949 0.0548 0.1550 ( 711 PWs) bands (ev): -8.1674 -8.1674 5.0077 5.0077 5.1055 5.1055 5.2895 5.2895 5.4719 5.4719 5.6298 5.6298 7.5774 7.5774 8.7112 8.7112 9.3740 9.3740 12.9519 12.9519 24.2922 24.2922 25.3392 25.3392 27.2933 27.2933 k = 0.0902 0.0521 0.1473 ( 715 PWs) bands (ev): -8.1916 -8.1916 5.0344 5.0344 5.1203 5.1203 5.3179 5.3179 5.4720 5.4720 5.6257 5.6257 7.6403 7.6403 8.7232 8.7232 9.3305 9.3305 12.8275 12.8275 24.4626 24.4626 25.5301 25.5301 27.4510 27.4510 k = 0.0854 0.0493 0.1395 ( 715 PWs) bands (ev): -8.2148 -8.2148 5.0587 5.0587 5.1332 5.1332 5.3464 5.3464 5.4730 5.4730 5.6226 5.6226 7.7065 7.7065 8.7345 8.7345 9.2875 9.2875 12.7039 12.7039 24.6372 24.6372 25.7199 25.7199 27.6096 27.6096 k = 0.0807 0.0466 0.1318 ( 715 PWs) bands (ev): -8.2369 -8.2369 5.0807 5.0807 5.1446 5.1446 5.3745 5.3745 5.4743 5.4743 5.6204 5.6204 7.7759 7.7759 8.7449 8.7449 9.2452 9.2452 12.5812 12.5812 24.8158 24.8158 25.9083 25.9083 27.7685 27.7686 k = 0.0759 0.0438 0.1240 ( 715 PWs) bands (ev): -8.2580 -8.2580 5.1004 5.1004 5.1545 5.1545 5.4019 5.4019 5.4761 5.4761 5.6191 5.6191 7.8482 7.8482 8.7546 8.7546 9.2039 9.2039 12.4596 12.4596 24.9985 24.9985 26.0949 26.0949 27.9273 27.9273 k = 0.0712 0.0411 0.1163 ( 715 PWs) bands (ev): -8.2779 -8.2779 5.1180 5.1180 5.1631 5.1631 5.4280 5.4280 5.4784 5.4784 5.6188 5.6188 7.9228 7.9228 8.7635 8.7635 9.1638 9.1638 12.3394 12.3394 25.1851 25.1851 26.2794 26.2794 28.0852 28.0852 k = 0.0665 0.0384 0.1085 ( 715 PWs) bands (ev): -8.2967 -8.2967 5.1335 5.1335 5.1707 5.1707 5.4523 5.4523 5.4817 5.4817 5.6194 5.6194 7.9996 7.9996 8.7717 8.7717 9.1249 9.1249 12.2209 12.2209 25.3756 25.3756 26.4612 26.4612 28.2415 28.2416 k = 0.0617 0.0356 0.1008 ( 717 PWs) bands (ev): -8.3144 -8.3144 5.1470 5.1470 5.1772 5.1772 5.4712 5.4712 5.4890 5.4890 5.6208 5.6208 8.0778 8.0778 8.7791 8.7791 9.0877 9.0877 12.1045 12.1045 25.5700 25.5700 26.6399 26.6399 28.3826 28.3826 k = 0.0570 0.0329 0.0930 ( 717 PWs) bands (ev): -8.3308 -8.3308 5.1587 5.1587 5.1829 5.1829 5.4791 5.4791 5.5062 5.5062 5.6229 5.6229 8.1570 8.1570 8.7859 8.7859 9.0522 9.0522 11.9906 11.9906 25.7680 25.7680 26.8150 26.8150 28.3562 28.3562 k = 0.0522 0.0301 0.0853 ( 721 PWs) bands (ev): -8.3460 -8.3460 5.1685 5.1685 5.1878 5.1878 5.4823 5.4823 5.5266 5.5266 5.6254 5.6254 8.2365 8.2365 8.7921 8.7921 9.0187 9.0187 11.8799 11.8799 25.9696 25.9696 26.9857 26.9857 28.3304 28.3304 k = 0.0475 0.0274 0.0775 ( 723 PWs) bands (ev): -8.3599 -8.3599 5.1770 5.1770 5.1918 5.1918 5.4845 5.4845 5.5464 5.5464 5.6285 5.6285 8.3154 8.3154 8.7975 8.7975 8.9873 8.9873 11.7728 11.7728 26.1745 26.1745 27.1514 27.1514 28.3066 28.3067 k = 0.0427 0.0247 0.0698 ( 723 PWs) bands (ev): -8.3726 -8.3726 5.1841 5.1841 5.1954 5.1954 5.4863 5.4863 5.5651 5.5651 5.6318 5.6318 8.3930 8.3930 8.8024 8.8024 8.9584 8.9584 11.6702 11.6702 26.3828 26.3828 27.3112 27.3112 28.2853 28.2853 k = 0.0380 0.0219 0.0620 ( 723 PWs) bands (ev): -8.3840 -8.3840 5.1900 5.1900 5.1984 5.1984 5.4879 5.4879 5.5822 5.5822 5.6352 5.6352 8.4681 8.4681 8.8065 8.8065 8.9321 8.9321 11.5729 11.5729 26.5941 26.5941 27.4640 27.4640 28.2662 28.2662 k = 0.0332 0.0192 0.0543 ( 723 PWs) bands (ev): -8.3941 -8.3941 5.1948 5.1948 5.2009 5.2009 5.4892 5.4892 5.5978 5.5978 5.6385 5.6385 8.5396 8.5396 8.8101 8.8101 8.9087 8.9087 11.4820 11.4820 26.8081 26.8081 27.6086 27.6086 28.2494 28.2494 k = 0.0285 0.0164 0.0465 ( 725 PWs) bands (ev): -8.4029 -8.4029 5.1987 5.1987 5.2030 5.2030 5.4904 5.4904 5.6115 5.6115 5.6415 5.6415 8.6061 8.6061 8.8130 8.8130 8.8884 8.8884 11.3986 11.3986 27.0242 27.0242 27.7433 27.7433 28.2349 28.2349 k = 0.0237 0.0137 0.0388 ( 725 PWs) bands (ev): -8.4103 -8.4103 5.2018 5.2018 5.2046 5.2046 5.4913 5.4913 5.6234 5.6234 5.6443 5.6443 8.6658 8.6658 8.8153 8.8153 8.8716 8.8716 11.3243 11.3243 27.2419 27.2419 27.8662 27.8662 28.2227 28.2227 k = 0.0190 0.0110 0.0310 ( 725 PWs) bands (ev): -8.4164 -8.4164 5.2042 5.2042 5.2059 5.2059 5.4921 5.4921 5.6332 5.6332 5.6467 5.6467 8.7168 8.7168 8.8174 8.8174 8.8586 8.8586 11.2604 11.2604 27.4600 27.4600 27.9745 27.9745 28.2130 28.2130 k = 0.0142 0.0082 0.0233 ( 725 PWs) bands (ev): -8.4212 -8.4212 5.2059 5.2059 5.2069 5.2069 5.4928 5.4928 5.6410 5.6410 5.6486 5.6486 8.7560 8.7560 8.8204 8.8204 8.8494 8.8494 11.2085 11.2085 27.6766 27.6766 28.0649 28.0649 28.2060 28.2060 k = 0.0095 0.0055 0.0155 ( 725 PWs) bands (ev): -8.4246 -8.4246 5.2072 5.2072 5.2076 5.2076 5.4932 5.4932 5.6466 5.6466 5.6500 5.6500 8.7799 8.7799 8.8271 8.8271 8.8439 8.8439 11.1701 11.1701 27.8878 27.8878 28.1324 28.1324 28.2028 28.2028 k = 0.0047 0.0027 0.0078 ( 725 PWs) bands (ev): -8.4267 -8.4267 5.2079 5.2079 5.2080 5.2080 5.4935 5.4935 5.6500 5.6500 5.6508 5.6508 8.7890 8.7890 8.8362 8.8362 8.8412 8.8412 11.1465 11.1465 28.0804 28.0804 28.1698 28.1698 28.2080 28.2080 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -8.4273 -8.4273 5.2081 5.2081 5.2081 5.2081 5.4936 5.4936 5.6511 5.6511 5.6511 5.6511 8.7910 8.7910 8.8404 8.8404 8.8404 8.8404 11.1386 11.1386 28.1782 28.1782 28.1782 28.1782 28.2259 28.2259 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -8.4273 -8.4273 5.2081 5.2081 5.2081 5.2081 5.4936 5.4936 5.6511 5.6511 5.6511 5.6511 8.7910 8.7910 8.8404 8.8404 8.8404 8.8404 11.1386 11.1386 28.1782 28.1782 28.1782 28.1782 28.2259 28.2259 k = 0.0078 0.0045 0.0032 ( 725 PWs) bands (ev): -8.4266 -8.4266 5.2079 5.2079 5.2080 5.2080 5.4935 5.4935 5.6502 5.6502 5.6506 5.6506 8.7889 8.7889 8.8360 8.8360 8.8414 8.8414 11.1467 11.1467 28.0750 28.0750 28.1747 28.1747 28.2082 28.2082 k = 0.0156 0.0090 0.0064 ( 725 PWs) bands (ev): -8.4246 -8.4246 5.2073 5.2073 5.2075 5.2075 5.4932 5.4932 5.6474 5.6474 5.6492 5.6492 8.7784 8.7784 8.8276 8.8276 8.8446 8.8446 11.1706 11.1706 27.8719 27.8719 28.1639 28.1639 28.1906 28.1906 k = 0.0234 0.0135 0.0096 ( 725 PWs) bands (ev): -8.4211 -8.4211 5.2062 5.2062 5.2066 5.2066 5.4928 5.4928 5.6427 5.6427 5.6467 5.6467 8.7505 8.7505 8.8251 8.8251 8.8498 8.8498 11.2094 11.2094 27.6474 27.6474 28.1457 28.1457 28.1642 28.1642 k = 0.0312 0.0180 0.0128 ( 725 PWs) bands (ev): -8.4163 -8.4163 5.2046 5.2046 5.2054 5.2054 5.4921 5.4921 5.6361 5.6361 5.6435 5.6435 8.7056 8.7056 8.8293 8.8293 8.8571 8.8571 11.2618 11.2618 27.4152 27.4152 28.1198 28.1198 28.1278 28.1278 k = 0.0391 0.0226 0.0159 ( 725 PWs) bands (ev): -8.4101 -8.4101 5.2024 5.2024 5.2037 5.2037 5.4913 5.4913 5.6279 5.6279 5.6394 5.6394 8.6480 8.6480 8.8376 8.8376 8.8664 8.8664 11.3261 11.3261 27.1796 27.1796 28.0814 28.0814 28.0859 28.0859 k = 0.0469 0.0271 0.0191 ( 725 PWs) bands (ev): -8.4025 -8.4025 5.1997 5.1997 5.2015 5.2015 5.4903 5.4903 5.6179 5.6179 5.6346 5.6346 8.5806 8.5806 8.8487 8.8487 8.8776 8.8776 11.4007 11.4007 26.9426 26.9426 28.0252 28.0252 28.0438 28.0438 k = 0.0547 0.0316 0.0223 ( 725 PWs) bands (ev): -8.3936 -8.3936 5.1963 5.1963 5.1986 5.1986 5.4891 5.4891 5.6063 5.6063 5.6292 5.6292 8.5055 8.5055 8.8622 8.8622 8.8907 8.8907 11.4840 11.4840 26.7056 26.7056 27.9596 27.9596 27.9931 27.9931 k = 0.0625 0.0361 0.0255 ( 722 PWs) bands (ev): -8.3833 -8.3833 5.1922 5.1922 5.1952 5.1952 5.4877 5.4877 5.5934 5.5934 5.6235 5.6235 8.4244 8.4244 8.8779 8.8779 8.9057 8.9057 11.5745 11.5745 26.4695 26.4695 27.8850 27.8850 27.9339 27.9339 k = 0.0703 0.0406 0.0287 ( 722 PWs) bands (ev): -8.3717 -8.3717 5.1872 5.1872 5.1908 5.1908 5.4860 5.4860 5.5790 5.5790 5.6174 5.6174 8.3386 8.3386 8.8955 8.8955 8.9225 8.9225 11.6710 11.6710 26.2344 26.2344 27.8021 27.8021 27.8662 27.8662 k = 0.0781 0.0451 0.0319 ( 719 PWs) bands (ev): -8.3588 -8.3588 5.1813 5.1813 5.1854 5.1854 5.4840 5.4840 5.5637 5.5637 5.6114 5.6114 8.2495 8.2495 8.9149 8.9149 8.9409 8.9409 11.7724 11.7724 26.0010 26.0010 27.7116 27.7116 27.7903 27.7903 k = 0.0859 0.0496 0.0351 ( 718 PWs) bands (ev): -8.3446 -8.3446 5.1744 5.1744 5.1788 5.1788 5.4811 5.4811 5.5479 5.5479 5.6053 5.6053 8.1580 8.1580 8.9360 8.9360 8.9609 8.9609 11.8777 11.8777 25.7696 25.7696 27.6142 27.6142 27.7065 27.7065 k = 0.0938 0.0541 0.0383 ( 718 PWs) bands (ev): -8.3292 -8.3292 5.1662 5.1662 5.1708 5.1708 5.4766 5.4766 5.5324 5.5324 5.5994 5.5994 8.0651 8.0651 8.9588 8.9588 8.9825 8.9825 11.9862 11.9862 25.5404 25.5404 27.5106 27.5106 27.6153 27.6153 k = 0.1016 0.0586 0.0415 ( 712 PWs) bands (ev): -8.3125 -8.3125 5.1570 5.1570 5.1614 5.1614 5.4690 5.4690 5.5191 5.5191 5.5941 5.5941 7.9716 7.9716 8.9830 8.9830 9.0055 9.0055 12.0973 12.0973 25.3136 25.3136 27.4017 27.4017 27.5176 27.5176 k = 0.1094 0.0631 0.0447 ( 718 PWs) bands (ev): -8.2946 -8.2946 5.1463 5.1463 5.1498 5.1498 5.4565 5.4565 5.5094 5.5094 5.5890 5.5890 7.8783 7.8783 9.0086 9.0086 9.0297 9.0297 12.2103 12.2103 25.0895 25.0895 27.2881 27.2881 27.4140 27.4140 k = 0.1172 0.0677 0.0478 ( 712 PWs) bands (ev): -8.2754 -8.2754 5.1344 5.1344 5.1365 5.1365 5.4390 5.4390 5.5043 5.5043 5.5850 5.5850 7.7857 7.7857 9.0356 9.0356 9.0553 9.0553 12.3248 12.3248 24.8681 24.8681 27.1706 27.1706 27.3053 27.3053 k = 0.1250 0.0722 0.0510 ( 712 PWs) bands (ev): -8.2551 -8.2551 5.1209 5.1209 5.1212 5.1212 5.4178 5.4178 5.5019 5.5019 5.5815 5.5815 7.6945 7.6945 9.0636 9.0636 9.0819 9.0819 12.4404 12.4404 24.6496 24.6496 27.0499 27.0499 27.1922 27.1922 k = 0.1328 0.0767 0.0542 ( 712 PWs) bands (ev): -8.2337 -8.2337 5.1028 5.1028 5.1066 5.1066 5.3941 5.3941 5.5014 5.5014 5.5789 5.5789 7.6053 7.6053 9.0927 9.0927 9.1096 9.1096 12.5567 12.5567 24.4341 24.4341 26.9265 26.9265 27.0755 27.0755 k = 0.1406 0.0812 0.0574 ( 712 PWs) bands (ev): -8.2112 -8.2112 5.0820 5.0820 5.0906 5.0906 5.3686 5.3686 5.5021 5.5021 5.5771 5.5771 7.5185 7.5185 9.1228 9.1228 9.1382 9.1382 12.6733 12.6733 24.2218 24.2218 26.8010 26.8010 26.9557 26.9557 k = 0.1484 0.0857 0.0606 ( 712 PWs) bands (ev): -8.1875 -8.1875 5.0584 5.0584 5.0735 5.0735 5.3416 5.3416 5.5039 5.5039 5.5763 5.5763 7.4346 7.4346 9.1537 9.1537 9.1677 9.1677 12.7901 12.7901 24.0128 24.0128 26.6739 26.6739 26.8336 26.8336 k = 0.1562 0.0902 0.0638 ( 712 PWs) bands (ev): -8.1629 -8.1629 5.0317 5.0317 5.0551 5.0551 5.3135 5.3135 5.5064 5.5064 5.5763 5.5763 7.3541 7.3541 9.1854 9.1854 9.1979 9.1979 12.9068 12.9068 23.8071 23.8071 26.5457 26.5457 26.7096 26.7096 k = 0.1641 0.0947 0.0670 ( 712 PWs) bands (ev): -8.1373 -8.1373 5.0017 5.0017 5.0357 5.0357 5.2843 5.2843 5.5096 5.5096 5.5773 5.5773 7.2773 7.2773 9.2178 9.2178 9.2288 9.2288 13.0230 13.0230 23.6049 23.6049 26.4168 26.4168 26.5843 26.5843 k = 0.1719 0.0992 0.0702 ( 712 PWs) bands (ev): -8.1107 -8.1107 4.9682 4.9682 5.0153 5.0153 5.2542 5.2542 5.5135 5.5135 5.5790 5.5790 7.2046 7.2046 9.2507 9.2507 9.2603 9.2603 13.1387 13.1387 23.4064 23.4064 26.2875 26.2875 26.4582 26.4582 k = 0.1797 0.1037 0.0734 ( 712 PWs) bands (ev): -8.0832 -8.0832 4.9310 4.9310 4.9940 4.9940 5.2235 5.2235 5.5181 5.5181 5.5816 5.5816 7.1363 7.1363 9.2840 9.2840 9.2922 9.2922 13.2535 13.2535 23.2116 23.2116 26.1583 26.1583 26.3317 26.3317 k = 0.1875 0.1083 0.0765 ( 718 PWs) bands (ev): -8.0549 -8.0549 4.8898 4.8898 4.9719 4.9719 5.1923 5.1923 5.5231 5.5231 5.5848 5.5848 7.0724 7.0724 9.3178 9.3178 9.3245 9.3245 13.3673 13.3673 23.0205 23.0205 26.0294 26.0294 26.2052 26.2052 k = 0.1953 0.1128 0.0797 ( 718 PWs) bands (ev): -8.0257 -8.0257 4.8448 4.8448 4.9492 4.9492 5.1609 5.1609 5.5288 5.5288 5.5888 5.5888 7.0133 7.0133 9.3518 9.3518 9.3572 9.3572 13.4800 13.4800 22.8334 22.8334 25.9011 25.9011 26.0789 26.0789 k = 0.2031 0.1173 0.0829 ( 718 PWs) bands (ev): -7.9958 -7.9958 4.7960 4.7960 4.9260 4.9260 5.1295 5.1295 5.5349 5.5349 5.5933 5.5933 6.9590 6.9590 9.3861 9.3861 9.3901 9.3901 13.5912 13.5912 22.6504 22.6504 25.7737 25.7737 25.9533 25.9533 k = 0.2109 0.1218 0.0861 ( 718 PWs) bands (ev): -7.9652 -7.9652 4.7432 4.7432 4.9023 4.9023 5.0981 5.0981 5.5414 5.5414 5.5985 5.5985 6.9094 6.9094 9.4204 9.4204 9.4232 9.4232 13.7009 13.7009 22.4715 22.4715 25.6475 25.6475 25.8285 25.8285 k = 0.2188 0.1263 0.0893 ( 718 PWs) bands (ev): -7.9340 -7.9340 4.6867 4.6867 4.8784 4.8784 5.0670 5.0670 5.5483 5.5483 5.6041 5.6041 6.8646 6.8646 9.4549 9.4549 9.4563 9.4563 13.8089 13.8089 22.2968 22.2968 25.5225 25.5225 25.7049 25.7049 k = 0.2266 0.1308 0.0925 ( 712 PWs) bands (ev): -7.9022 -7.9022 4.6268 4.6268 4.8542 4.8542 5.0364 5.0364 5.5557 5.5557 5.6104 5.6104 6.8244 6.8244 9.4893 9.4893 9.4895 9.4895 13.9150 13.9150 22.1267 22.1267 25.3992 25.3992 25.5827 25.5827 k = 0.2344 0.1353 0.0957 ( 712 PWs) bands (ev): -7.8699 -7.8699 4.5635 4.5635 4.8299 4.8299 5.0061 5.0061 5.5632 5.5632 5.6169 5.6169 6.7885 6.7885 9.5226 9.5226 9.5236 9.5236 14.0191 14.0191 21.9609 21.9609 25.2775 25.2775 25.4620 25.4620 k = 0.2422 0.1398 0.0989 ( 715 PWs) bands (ev): -7.8371 -7.8371 4.4971 4.4971 4.8055 4.8055 4.9763 4.9763 5.5711 5.5711 5.6237 5.6237 6.7566 6.7566 9.5555 9.5555 9.5577 9.5577 14.1209 14.1209 21.7997 21.7997 25.1578 25.1578 25.3431 25.3431 k = 0.2500 0.1443 0.1021 ( 715 PWs) bands (ev): -7.8039 -7.8039 4.4285 4.4285 4.7812 4.7812 4.9470 4.9470 5.5791 5.5791 5.6307 5.6307 6.7287 6.7287 9.5882 9.5882 9.5916 9.5916 14.2203 14.2203 21.6432 21.6432 25.0401 25.0401 25.2261 25.2261 k = 0.2578 0.1488 0.1053 ( 718 PWs) bands (ev): -7.7704 -7.7704 4.3578 4.3578 4.7569 4.7569 4.9182 4.9182 5.5873 5.5873 5.6380 5.6380 6.7044 6.7044 9.6207 9.6207 9.6252 9.6252 14.3172 14.3172 21.4915 21.4915 24.9246 24.9246 25.1113 25.1113 k = 0.2656 0.1534 0.1084 ( 718 PWs) bands (ev): -7.7367 -7.7367 4.2854 4.2854 4.7329 4.7329 4.8901 4.8901 5.5956 5.5956 5.6456 5.6456 6.6834 6.6834 9.6529 9.6529 9.6584 9.6584 14.4114 14.4114 21.3447 21.3447 24.8115 24.8115 24.9988 24.9988 k = 0.2734 0.1579 0.1116 ( 718 PWs) bands (ev): -7.7028 -7.7028 4.2118 4.2118 4.7092 4.7092 4.8627 4.8627 5.6041 5.6041 5.6532 5.6532 6.6654 6.6654 9.6847 9.6847 9.6912 9.6912 14.5028 14.5028 21.2029 21.2029 24.7009 24.7009 24.8887 24.8887 k = 0.2812 0.1624 0.1148 ( 718 PWs) bands (ev): -7.6689 -7.6689 4.1373 4.1373 4.6857 4.6857 4.8359 4.8359 5.6126 5.6126 5.6610 5.6610 6.6502 6.6502 9.7160 9.7160 9.7235 9.7235 14.5912 14.5912 21.0662 21.0662 24.5929 24.5929 24.7811 24.7811 k = 0.2891 0.1669 0.1180 ( 718 PWs) bands (ev): -7.6349 -7.6349 4.0623 4.0623 4.6627 4.6627 4.8098 4.8098 5.6211 5.6211 5.6689 5.6689 6.6375 6.6375 9.7468 9.7468 9.7552 9.7552 14.6764 14.6764 20.9348 20.9348 24.4876 24.4876 24.6762 24.6762 k = 0.2969 0.1714 0.1212 ( 718 PWs) bands (ev): -7.6011 -7.6011 3.9872 3.9872 4.6401 4.6401 4.7844 4.7844 5.6296 5.6296 5.6768 5.6768 6.6271 6.6271 9.7770 9.7770 9.7864 9.7864 14.7584 14.7584 20.8086 20.8086 24.3852 24.3852 24.5742 24.5742 k = 0.3047 0.1759 0.1244 ( 718 PWs) bands (ev): -7.5674 -7.5674 3.9124 3.9124 4.6180 4.6180 4.7597 4.7597 5.6381 5.6381 5.6847 5.6847 6.6186 6.6186 9.8066 9.8066 9.8169 9.8169 14.8369 14.8369 20.6879 20.6879 24.2858 24.2858 24.4750 24.4750 k = 0.3125 0.1804 0.1276 ( 718 PWs) bands (ev): -7.5339 -7.5339 3.8381 3.8381 4.5964 4.5964 4.7357 4.7357 5.6466 5.6466 5.6925 5.6925 6.6119 6.6119 9.8356 9.8356 9.8466 9.8466 14.9120 14.9120 20.5727 20.5727 24.1894 24.1894 24.3789 24.3789 k = 0.3203 0.1849 0.1308 ( 724 PWs) bands (ev): -7.5009 -7.5009 3.7647 3.7647 4.5752 4.5752 4.7123 4.7123 5.6548 5.6548 5.7001 5.7001 6.6069 6.6069 9.8638 9.8638 9.8756 9.8756 14.9834 14.9834 20.4629 20.4629 24.0962 24.0962 24.2859 24.2859 k = 0.3281 0.1894 0.1340 ( 718 PWs) bands (ev): -7.4682 -7.4682 3.6924 3.6924 4.5550 4.5550 4.6901 4.6901 5.6631 5.6631 5.7079 5.7079 6.6032 6.6032 9.8912 9.8912 9.9038 9.9038 15.0512 15.0512 20.3589 20.3589 24.0062 24.0062 24.1962 24.1962 k = 0.3359 0.1940 0.1371 ( 715 PWs) bands (ev): -7.4361 -7.4361 3.6217 3.6217 4.5353 4.5353 4.6686 4.6686 5.6712 5.6712 5.7155 5.7155 6.6010 6.6010 9.9178 9.9178 9.9311 9.9311 15.1152 15.1152 20.2605 20.2605 23.9196 23.9196 24.1098 24.1098 k = 0.3438 0.1985 0.1403 ( 724 PWs) bands (ev): -7.4047 -7.4047 3.5523 3.5523 4.5162 4.5162 4.6478 4.6478 5.6789 5.6789 5.7227 5.7227 6.5995 6.5995 9.9435 9.9435 9.9575 9.9575 15.1753 15.1753 20.1676 20.1676 23.8364 23.8364 24.0267 24.0267 k = 0.3516 0.2030 0.1435 ( 730 PWs) bands (ev): -7.3739 -7.3739 3.4849 3.4849 4.4978 4.4978 4.6278 4.6278 5.6865 5.6865 5.7299 5.7299 6.5989 6.5989 9.9682 9.9682 9.9828 9.9828 15.2315 15.2315 20.0803 20.0803 23.7567 23.7567 23.9472 23.9472 k = 0.3594 0.2075 0.1467 ( 730 PWs) bands (ev): -7.3440 -7.3440 3.4197 3.4197 4.4803 4.4803 4.6088 4.6088 5.6940 5.6940 5.7369 5.7369 6.5992 6.5992 9.9920 9.9920 10.0072 10.0072 15.2839 15.2839 19.9988 19.9988 23.6806 23.6806 23.8712 23.8712 k = 0.3672 0.2120 0.1499 ( 724 PWs) bands (ev): -7.3150 -7.3150 3.3569 3.3569 4.4637 4.4637 4.5909 4.5909 5.7013 5.7013 5.7438 5.7438 6.6002 6.6002 10.0149 10.0149 10.0307 10.0307 15.3325 15.3325 19.9228 19.9228 23.6082 23.6082 23.7989 23.7989 k = 0.3750 0.2165 0.1531 ( 724 PWs) bands (ev): -7.2871 -7.2871 3.2965 3.2965 4.4478 4.4478 4.5738 4.5738 5.7082 5.7082 5.7503 5.7503 6.6016 6.6016 10.0366 10.0366 10.0529 10.0529 15.3771 15.3771 19.8524 19.8524 23.5395 23.5395 23.7303 23.7303 k = 0.3828 0.2210 0.1563 ( 724 PWs) bands (ev): -7.2602 -7.2602 3.2389 3.2389 4.4327 4.4327 4.5576 4.5576 5.7149 5.7149 5.7566 5.7566 6.6035 6.6035 10.0572 10.0572 10.0741 10.0741 15.4181 15.4181 19.7874 19.7874 23.4746 23.4746 23.6656 23.6656 k = 0.3906 0.2255 0.1595 ( 721 PWs) bands (ev): -7.2346 -7.2346 3.1842 3.1842 4.4186 4.4186 4.5424 4.5424 5.7212 5.7212 5.7626 5.7626 6.6058 6.6058 10.0767 10.0767 10.0940 10.0940 15.4553 15.4553 19.7278 19.7278 23.4136 23.4136 23.6047 23.6047 k = 0.3984 0.2300 0.1627 ( 721 PWs) bands (ev): -7.2103 -7.2103 3.1325 3.1325 4.4053 4.4053 4.5281 4.5281 5.7272 5.7272 5.7682 5.7682 6.6083 6.6083 10.0951 10.0951 10.1128 10.1128 15.4890 15.4890 19.6733 19.6733 23.3565 23.3565 23.5477 23.5477 k = 0.4062 0.2345 0.1659 ( 721 PWs) bands (ev): -7.1873 -7.1873 3.0840 3.0840 4.3929 4.3929 4.5149 4.5149 5.7328 5.7328 5.7735 5.7735 6.6109 6.6109 10.1122 10.1122 10.1303 10.1303 15.5192 15.5192 19.6239 19.6239 23.3034 23.3034 23.4947 23.4947 k = 0.4141 0.2391 0.1690 ( 721 PWs) bands (ev): -7.1659 -7.1659 3.0388 3.0388 4.3814 4.3814 4.5027 4.5027 5.7380 5.7380 5.7784 5.7784 6.6136 6.6136 10.1281 10.1281 10.1466 10.1466 15.5461 15.5461 19.5794 19.5794 23.2544 23.2544 23.4457 23.4457 k = 0.4219 0.2436 0.1722 ( 721 PWs) bands (ev): -7.1460 -7.1460 2.9971 2.9971 4.3709 4.3709 4.4914 4.4914 5.7428 5.7428 5.7830 5.7830 6.6162 6.6162 10.1427 10.1427 10.1615 10.1615 15.5698 15.5698 19.5396 19.5396 23.2094 23.2094 23.4008 23.4008 k = 0.4297 0.2481 0.1754 ( 724 PWs) bands (ev): -7.1277 -7.1277 2.9590 2.9590 4.3612 4.3612 4.4811 4.4811 5.7472 5.7472 5.7871 5.7871 6.6188 6.6188 10.1560 10.1560 10.1751 10.1751 15.5906 15.5906 19.5044 19.5044 23.1686 23.1686 23.3600 23.3600 k = 0.4375 0.2526 0.1786 ( 724 PWs) bands (ev): -7.1111 -7.1111 2.9246 2.9246 4.3526 4.3526 4.4720 4.4720 5.7512 5.7512 5.7909 5.7909 6.6213 6.6213 10.1679 10.1679 10.1873 10.1873 15.6086 15.6086 19.4735 19.4735 23.1320 23.1320 23.3234 23.3234 k = 0.4453 0.2571 0.1818 ( 724 PWs) bands (ev): -7.0964 -7.0964 2.8940 2.8940 4.3450 4.3450 4.4639 4.4639 5.7548 5.7548 5.7942 5.7942 6.6237 6.6237 10.1786 10.1786 10.1982 10.1982 15.6240 15.6240 19.4467 19.4467 23.0996 23.0996 23.2911 23.2911 k = 0.4531 0.2616 0.1850 ( 718 PWs) bands (ev): -7.0834 -7.0834 2.8673 2.8673 4.3385 4.3385 4.4570 4.4570 5.7580 5.7580 5.7973 5.7973 6.6259 6.6259 10.1878 10.1878 10.2076 10.2076 15.6370 15.6370 19.4241 19.4241 23.0714 23.0714 23.2629 23.2629 k = 0.4609 0.2661 0.1882 ( 718 PWs) bands (ev): -7.0724 -7.0724 2.8446 2.8446 4.3329 4.3329 4.4511 4.4511 5.7606 5.7606 5.7998 5.7998 6.6277 6.6277 10.1957 10.1957 10.2157 10.2157 15.6476 15.6476 19.4051 19.4051 23.0475 23.0475 23.2391 23.2391 k = 0.4688 0.2706 0.1914 ( 718 PWs) bands (ev): -7.0633 -7.0633 2.8259 2.8259 4.3283 4.3283 4.4462 4.4462 5.7628 5.7628 5.8018 5.8018 6.6293 6.6293 10.2021 10.2021 10.2222 10.2222 15.6561 15.6561 19.3899 19.3899 23.0279 23.0279 23.2196 23.2196 k = 0.4766 0.2751 0.1946 ( 718 PWs) bands (ev): -7.0562 -7.0562 2.8113 2.8113 4.3247 4.3247 4.4424 4.4424 5.7645 5.7645 5.8034 5.8034 6.6305 6.6305 10.2072 10.2072 10.2274 10.2274 15.6626 15.6626 19.3781 19.3781 23.0127 23.0127 23.2043 23.2043 k = 0.4844 0.2797 0.1977 ( 718 PWs) bands (ev): -7.0511 -7.0511 2.8008 2.8008 4.3222 4.3222 4.4397 4.4397 5.7657 5.7657 5.8046 5.8046 6.6314 6.6314 10.2108 10.2108 10.2311 10.2311 15.6671 15.6671 19.3698 19.3698 23.0018 23.0018 23.1934 23.1934 k = 0.4922 0.2842 0.2009 ( 718 PWs) bands (ev): -7.0480 -7.0480 2.7946 2.7946 4.3206 4.3206 4.4380 4.4380 5.7664 5.7664 5.8053 5.8053 6.6319 6.6319 10.2129 10.2129 10.2333 10.2333 15.6698 15.6698 19.3648 19.3648 22.9952 22.9952 23.1869 23.1869 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -7.0470 -7.0470 2.7925 2.7925 4.3201 4.3201 4.4375 4.4375 5.7667 5.7667 5.8055 5.8055 6.6321 6.6321 10.2136 10.2136 10.2340 10.2340 15.6707 15.6707 19.3632 19.3632 22.9931 22.9931 23.1847 23.1847 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -7.0470 -7.0470 2.7925 2.7925 4.3201 4.3201 4.4375 4.4375 5.7667 5.7667 5.8055 5.8055 6.6321 6.6321 10.2136 10.2136 10.2340 10.2340 15.6707 15.6707 19.3632 19.3632 22.9931 22.9931 23.1847 23.1847 k = 0.5027 0.2808 0.2086 ( 718 PWs) bands (ev): -7.0468 -7.0468 2.7935 2.7935 4.3203 4.3203 4.4378 4.4378 5.7666 5.7666 5.8055 5.8055 6.6321 6.6321 10.2110 10.2110 10.2316 10.2316 15.6752 15.6752 19.3612 19.3612 22.9910 22.9910 23.1826 23.1826 k = 0.5054 0.2730 0.2130 ( 718 PWs) bands (ev): -7.0462 -7.0462 2.7968 2.7968 4.3211 4.3211 4.4385 4.4385 5.7664 5.7664 5.8053 5.8053 6.6319 6.6319 10.2021 10.2021 10.2257 10.2257 15.6887 15.6887 19.3554 19.3554 22.9842 22.9842 23.1772 23.1772 k = 0.5082 0.2651 0.2174 ( 718 PWs) bands (ev): -7.0453 -7.0453 2.8021 2.8021 4.3223 4.3223 4.4399 4.4399 5.7660 5.7660 5.8051 5.8051 6.6315 6.6315 10.1849 10.1849 10.2181 10.2181 15.7110 15.7110 19.3456 19.3456 22.9705 22.9705 23.1709 23.1709 k = 0.5109 0.2573 0.2219 ( 715 PWs) bands (ev): -7.0441 -7.0441 2.8096 2.8096 4.3241 4.3241 4.4418 4.4418 5.7655 5.7655 5.8049 5.8049 6.6311 6.6311 10.1592 10.1592 10.2094 10.2094 15.7419 15.7419 19.3319 19.3319 22.9472 22.9472 23.1671 23.1671 k = 0.5136 0.2495 0.2263 ( 713 PWs) bands (ev): -7.0425 -7.0425 2.8193 2.8193 4.3263 4.3263 4.4442 4.4442 5.7649 5.7649 5.8046 5.8046 6.6306 6.6306 10.1257 10.1257 10.1994 10.1994 15.7811 15.7811 19.3143 19.3143 22.9126 22.9126 23.1683 23.1683 k = 0.5163 0.2416 0.2307 ( 715 PWs) bands (ev): -7.0405 -7.0405 2.8310 2.8310 4.3289 4.3289 4.4471 4.4471 5.7640 5.7640 5.8042 5.8042 6.6298 6.6298 10.0849 10.0849 10.1876 10.1876 15.8282 15.8282 19.2928 19.2928 22.8667 22.8667 23.1754 23.1754 k = 0.5190 0.2338 0.2352 ( 721 PWs) bands (ev): -7.0382 -7.0382 2.8448 2.8448 4.3319 4.3319 4.4504 4.4504 5.7629 5.7629 5.8036 5.8036 6.6290 6.6290 10.0373 10.0373 10.1739 10.1739 15.8829 15.8829 19.2674 19.2674 22.8107 22.8107 23.1881 23.1881 k = 0.5217 0.2259 0.2396 ( 721 PWs) bands (ev): -7.0356 -7.0356 2.8606 2.8606 4.3355 4.3355 4.4544 4.4544 5.7617 5.7617 5.8032 5.8032 6.6280 6.6280 9.9836 9.9836 10.1584 10.1584 15.9446 15.9446 19.2382 19.2382 22.7465 22.7465 23.2057 23.2057 k = 0.5245 0.2181 0.2441 ( 721 PWs) bands (ev): -7.0326 -7.0326 2.8786 2.8786 4.3394 4.3394 4.4589 4.4589 5.7605 5.7605 5.8028 5.8028 6.6270 6.6270 9.9242 9.9242 10.1410 10.1410 16.0129 16.0129 19.2053 19.2053 22.6759 22.6759 23.2274 23.2274 k = 0.5272 0.2102 0.2485 ( 721 PWs) bands (ev): -7.0294 -7.0294 2.8986 2.8986 4.3438 4.3438 4.4639 4.4639 5.7591 5.7591 5.8025 5.8025 6.6260 6.6260 9.8595 9.8595 10.1218 10.1218 16.0874 16.0874 19.1686 19.1686 22.6003 22.6003 23.2528 23.2528 k = 0.5299 0.2024 0.2529 ( 721 PWs) bands (ev): -7.0258 -7.0258 2.9205 2.9205 4.3485 4.3485 4.4694 4.4694 5.7575 5.7575 5.8022 5.8022 6.6248 6.6248 9.7900 9.7900 10.1008 10.1008 16.1673 16.1673 19.1283 19.1283 22.5210 22.5210 23.2813 23.2813 k = 0.5326 0.1945 0.2574 ( 723 PWs) bands (ev): -7.0219 -7.0219 2.9444 2.9444 4.3535 4.3535 4.4754 4.4754 5.7558 5.7558 5.8019 5.8019 6.6236 6.6236 9.7161 9.7161 10.0781 10.0781 16.2522 16.2522 19.0844 19.0844 22.4392 22.4392 23.3128 23.3128 k = 0.5353 0.1867 0.2618 ( 721 PWs) bands (ev): -7.0177 -7.0177 2.9703 2.9703 4.3590 4.3590 4.4821 4.4821 5.7540 5.7540 5.8018 5.8018 6.6223 6.6223 9.6383 9.6383 10.0537 10.0537 16.3417 16.3417 19.0373 19.0373 22.3560 22.3560 23.3469 23.3469 k = 0.5380 0.1789 0.2662 ( 721 PWs) bands (ev): -7.0133 -7.0133 2.9980 2.9980 4.3648 4.3648 4.4892 4.4892 5.7521 5.7521 5.8017 5.8017 6.6211 6.6211 9.5570 9.5570 10.0276 10.0276 16.4350 16.4350 18.9870 18.9870 22.2720 22.2720 23.3834 23.3834 k = 0.5408 0.1710 0.2707 ( 718 PWs) bands (ev): -7.0086 -7.0086 3.0276 3.0276 4.3709 4.3709 4.4970 4.4970 5.7503 5.7503 5.8018 5.8018 6.6198 6.6198 9.4726 9.4726 10.0000 10.0000 16.5316 16.5316 18.9338 18.9338 22.1882 22.1882 23.4222 23.4222 k = 0.5435 0.1632 0.2751 ( 714 PWs) bands (ev): -7.0037 -7.0037 3.0590 3.0590 4.3773 4.3773 4.5053 4.5053 5.7485 5.7485 5.8020 5.8020 6.6185 6.6185 9.3855 9.3855 9.9709 9.9709 16.6309 16.6309 18.8781 18.8781 22.1050 22.1050 23.4629 23.4629 k = 0.5462 0.1553 0.2796 ( 714 PWs) bands (ev): -6.9986 -6.9986 3.0921 3.0921 4.3838 4.3838 4.5141 4.5141 5.7465 5.7465 5.8022 5.8022 6.6173 6.6173 9.2959 9.2959 9.9403 9.9403 16.7322 16.7322 18.8203 18.8203 22.0231 22.0231 23.5054 23.5054 k = 0.5489 0.1475 0.2840 ( 712 PWs) bands (ev): -6.9933 -6.9933 3.1269 3.1269 4.3906 4.3906 4.5234 4.5234 5.7445 5.7445 5.8025 5.8025 6.6161 6.6161 9.2044 9.2044 9.9084 9.9084 16.8348 16.8348 18.7609 18.7609 21.9427 21.9427 23.5495 23.5495 k = 0.5516 0.1396 0.2884 ( 712 PWs) bands (ev): -6.9878 -6.9878 3.1632 3.1632 4.3975 4.3975 4.5333 4.5333 5.7426 5.7426 5.8030 5.8030 6.6150 6.6150 9.1112 9.1112 9.8752 9.8752 16.9377 16.9377 18.7007 18.7007 21.8644 21.8644 23.5951 23.5951 k = 0.5543 0.1318 0.2929 ( 712 PWs) bands (ev): -6.9821 -6.9821 3.2011 3.2011 4.4045 4.4045 4.5436 4.5436 5.7407 5.7407 5.8036 5.8036 6.6140 6.6140 9.0165 9.0165 9.8407 9.8407 17.0399 17.0399 18.6407 18.6407 21.7883 21.7883 23.6419 23.6419 k = 0.5571 0.1239 0.2973 ( 708 PWs) bands (ev): -6.9763 -6.9763 3.2405 3.2405 4.4118 4.4118 4.5546 4.5546 5.7391 5.7391 5.8045 5.8045 6.6131 6.6131 8.9208 8.9208 9.8051 9.8051 17.1399 17.1399 18.5823 18.5823 21.7147 21.7147 23.6898 23.6898 k = 0.5598 0.1161 0.3017 ( 710 PWs) bands (ev): -6.9704 -6.9704 3.2813 3.2813 4.4190 4.4190 4.5659 4.5659 5.7374 5.7374 5.8053 5.8053 6.6124 6.6124 8.8242 8.8242 9.7685 9.7685 17.2358 17.2358 18.5272 18.5272 21.6437 21.6437 23.7385 23.7385 k = 0.5625 0.1083 0.3062 ( 712 PWs) bands (ev): -6.9644 -6.9644 3.3233 3.3233 4.4262 4.4262 4.5778 4.5778 5.7359 5.7359 5.8063 5.8063 6.6119 6.6119 8.7270 8.7270 9.7308 9.7308 17.3248 17.3248 18.4782 18.4782 21.5754 21.5754 23.7879 23.7879 k = 0.5652 0.1004 0.3106 ( 712 PWs) bands (ev): -6.9583 -6.9583 3.3665 3.3665 4.4336 4.4336 4.5902 4.5902 5.7347 5.7347 5.8075 5.8075 6.6116 6.6116 8.6295 8.6295 9.6923 9.6923 17.4033 17.4033 18.4390 18.4390 21.5098 21.5098 23.8379 23.8379 k = 0.5679 0.0926 0.3151 ( 708 PWs) bands (ev): -6.9522 -6.9522 3.4109 3.4109 4.4411 4.4411 4.6032 4.6032 5.7336 5.7336 5.8089 5.8089 6.6116 6.6116 8.5320 8.5320 9.6529 9.6529 17.4664 17.4664 18.4145 18.4145 21.4471 21.4471 23.8882 23.8882 k = 0.5707 0.0847 0.3195 ( 708 PWs) bands (ev): -6.9460 -6.9460 3.4562 3.4562 4.4484 4.4484 4.6165 4.6165 5.7328 5.7328 5.8104 5.8104 6.6119 6.6119 8.4348 8.4348 9.6128 9.6128 17.5088 17.5088 18.4097 18.4097 21.3871 21.3871 23.9386 23.9386 k = 0.5734 0.0769 0.3239 ( 707 PWs) bands (ev): -6.9399 -6.9399 3.5024 3.5024 4.4558 4.4558 4.6303 4.6303 5.7322 5.7322 5.8120 5.8120 6.6125 6.6125 8.3380 8.3380 9.5719 9.5719 17.5270 17.5270 18.4284 18.4284 21.3299 21.3299 23.9890 23.9890 k = 0.5761 0.0690 0.3284 ( 707 PWs) bands (ev): -6.9338 -6.9338 3.5493 3.5493 4.4630 4.4630 4.6445 4.6445 5.7319 5.7319 5.8138 5.8138 6.6134 6.6134 8.2419 8.2419 9.5305 9.5305 17.5206 17.5206 18.4708 18.4708 21.2754 21.2754 24.0393 24.0393 k = 0.5788 0.0612 0.3328 ( 707 PWs) bands (ev): -6.9278 -6.9278 3.5969 3.5969 4.4701 4.4701 4.6591 4.6591 5.7318 5.7318 5.8158 5.8158 6.6148 6.6148 8.1467 8.1467 9.4885 9.4885 17.4930 17.4930 18.5335 18.5335 21.2236 21.2236 24.0892 24.0892 k = 0.5815 0.0533 0.3372 ( 707 PWs) bands (ev): -6.9219 -6.9219 3.6449 3.6449 4.4770 4.4770 4.6741 4.6741 5.7320 5.7320 5.8180 5.8180 6.6165 6.6165 8.0529 8.0529 9.4461 9.4461 17.4493 17.4493 18.6116 18.6116 21.1745 21.1745 24.1387 24.1387 k = 0.5842 0.0455 0.3417 ( 710 PWs) bands (ev): -6.9161 -6.9161 3.6932 3.6932 4.4837 4.4837 4.6895 4.6895 5.7324 5.7324 5.8202 5.8202 6.6185 6.6185 7.9606 7.9606 9.4032 9.4032 17.3940 17.3940 18.7003 18.7003 21.1280 21.1280 24.1875 24.1875 k = 0.5870 0.0377 0.3461 ( 714 PWs) bands (ev): -6.9105 -6.9105 3.7416 3.7416 4.4903 4.4903 4.7051 4.7051 5.7331 5.7331 5.8227 5.8227 6.6210 6.6210 7.8701 7.8701 9.3601 9.3601 17.3310 17.3310 18.7957 18.7957 21.0841 21.0841 24.2356 24.2356 k = 0.5897 0.0298 0.3506 ( 714 PWs) bands (ev): -6.9050 -6.9050 3.7901 3.7901 4.4966 4.4966 4.7212 4.7212 5.7341 5.7341 5.8254 5.8254 6.6238 6.6238 7.7818 7.7818 9.3167 9.3167 17.2627 17.2627 18.8954 18.8954 21.0428 21.0428 24.2829 24.2829 k = 0.5924 0.0220 0.3550 ( 714 PWs) bands (ev): -6.8998 -6.8998 3.8383 3.8383 4.5027 4.5027 4.7375 4.7375 5.7353 5.7353 5.8283 5.8283 6.6269 6.6269 7.6962 7.6962 9.2732 9.2732 17.1910 17.1910 18.9973 18.9973 21.0041 21.0041 24.3292 24.3292 k = 0.5951 0.0141 0.3594 ( 716 PWs) bands (ev): -6.8949 -6.8949 3.8862 3.8862 4.5084 4.5084 4.7542 4.7542 5.7366 5.7366 5.8314 5.8314 6.6301 6.6301 7.6135 7.6135 9.2295 9.2295 17.1173 17.1173 19.1000 19.1000 20.9679 20.9679 24.3744 24.3744 k = 0.5978 0.0063 0.3639 ( 718 PWs) bands (ev): -6.8902 -6.8902 3.9335 3.9335 4.5137 4.5137 4.7711 4.7711 5.7382 5.7382 5.8347 5.8347 6.6333 6.6333 7.5344 7.5344 9.1858 9.1858 17.0425 17.0425 19.2024 19.2024 20.9343 20.9343 24.4185 24.4185 k = 0.6005-0.0016 0.3683 ( 718 PWs) bands (ev): -6.8859 -6.8859 3.9800 3.9800 4.5187 4.5187 4.7883 4.7883 5.7399 5.7399 5.8382 5.8382 6.6361 6.6361 7.4595 7.4595 9.1422 9.1422 16.9672 16.9672 19.3037 19.3037 20.9033 20.9033 24.4614 24.4614 k = 0.6033-0.0094 0.3727 ( 718 PWs) bands (ev): -6.8819 -6.8819 4.0256 4.0256 4.5231 4.5231 4.8058 4.8058 5.7417 5.7417 5.8419 5.8419 6.6383 6.6383 7.3895 7.3895 9.0987 9.0987 16.8921 16.8921 19.4031 19.4031 20.8750 20.8750 24.5030 24.5030 k = 0.6060-0.0173 0.3772 ( 718 PWs) bands (ev): -6.8783 -6.8783 4.0701 4.0701 4.5270 4.5270 4.8235 4.8235 5.7435 5.7435 5.8457 5.8457 6.6393 6.6393 7.3253 7.3253 9.0553 9.0553 16.8176 16.8176 19.4999 19.4999 20.8495 20.8495 24.5433 24.5433 k = 0.6087-0.0251 0.3816 ( 716 PWs) bands (ev): -6.8752 -6.8752 4.1132 4.1132 4.5303 4.5303 4.8416 4.8416 5.7454 5.7454 5.8498 5.8498 6.6382 6.6382 7.2680 7.2680 9.0122 9.0122 16.7440 16.7440 19.5936 19.5936 20.8270 20.8270 24.5823 24.5823 k = 0.6114-0.0329 0.3861 ( 716 PWs) bands (ev): -6.8725 -6.8725 4.1546 4.1546 4.5330 4.5330 4.8597 4.8597 5.7471 5.7471 5.8540 5.8540 6.6345 6.6345 7.2187 7.2187 8.9694 8.9694 16.6715 16.6715 19.6835 19.6835 20.8075 20.8075 24.6199 24.6199 k = 0.6141-0.0408 0.3905 ( 716 PWs) bands (ev): -6.8703 -6.8703 4.1943 4.1943 4.5349 4.5349 4.8780 4.8780 5.7487 5.7487 5.8582 5.8582 6.6272 6.6272 7.1785 7.1785 8.9270 8.9270 16.6005 16.6005 19.7690 19.7690 20.7915 20.7915 24.6560 24.6560 k = 0.6168-0.0486 0.3949 ( 716 PWs) bands (ev): -6.8686 -6.8686 4.2320 4.2320 4.5362 4.5362 4.8965 4.8965 5.7501 5.7501 5.8626 5.8626 6.6157 6.6157 7.1484 7.1484 8.8851 8.8851 16.5312 16.5312 19.8495 19.8495 20.7792 20.7792 24.6908 24.6908 k = 0.6196-0.0565 0.3994 ( 718 PWs) bands (ev): -6.8675 -6.8675 4.2673 4.2673 4.5368 4.5368 4.9150 4.9150 5.7511 5.7511 5.8669 5.8669 6.6000 6.6000 7.1288 7.1288 8.8436 8.8436 16.4636 16.4636 19.9244 19.9244 20.7711 20.7711 24.7242 24.7242 k = 0.6223-0.0643 0.4038 ( 718 PWs) bands (ev): -6.8669 -6.8669 4.2999 4.2999 4.5369 4.5369 4.9337 4.9337 5.7519 5.7519 5.8712 5.8712 6.5806 6.5806 7.1194 7.1194 8.8028 8.8028 16.3981 16.3981 19.9929 19.9929 20.7675 20.7675 24.7562 24.7562 k = 0.6250-0.0722 0.4082 ( 718 PWs) bands (ev): -6.8670 -6.8670 4.3295 4.3295 4.5368 4.5368 4.9526 4.9526 5.7523 5.7523 5.8755 5.8755 6.5585 6.5585 7.1195 7.1195 8.7625 8.7625 16.3346 16.3346 20.0544 20.0544 20.7689 20.7689 24.7869 24.7869 k = 0.6250-0.0722 0.4082 ( 718 PWs) bands (ev): -6.8670 -6.8670 4.3295 4.3295 4.5368 4.5368 4.9526 4.9526 5.7523 5.7523 5.8755 5.8755 6.5585 6.5585 7.1195 7.1195 8.7625 8.7625 16.3346 16.3346 20.0544 20.0544 20.7689 20.7689 24.7869 24.7869 k = 0.6204-0.0695 0.4158 ( 718 PWs) bands (ev): -6.8669 -6.8669 4.3298 4.3298 4.5369 4.5369 4.9517 4.9517 5.7526 5.7526 5.8764 5.8764 6.5587 6.5587 7.1193 7.1193 8.7601 8.7601 16.3374 16.3374 20.0557 20.0557 20.7688 20.7688 24.7752 24.7752 k = 0.6157-0.0668 0.4234 ( 716 PWs) bands (ev): -6.8666 -6.8666 4.3311 4.3311 4.5373 4.5373 4.9493 4.9493 5.7535 5.7535 5.8792 5.8792 6.5594 6.5594 7.1186 7.1186 8.7529 8.7529 16.3457 16.3457 20.0595 20.0595 20.7684 20.7684 24.7408 24.7408 k = 0.6111-0.0642 0.4309 ( 713 PWs) bands (ev): -6.8661 -6.8661 4.3331 4.3331 4.5378 4.5378 4.9454 4.9454 5.7551 5.7551 5.8839 5.8839 6.5606 6.5606 7.1174 7.1174 8.7409 8.7409 16.3594 16.3594 20.0658 20.0658 20.7679 20.7679 24.6855 24.6855 k = 0.6065-0.0615 0.4385 ( 716 PWs) bands (ev): -6.8654 -6.8654 4.3357 4.3357 4.5386 4.5386 4.9396 4.9396 5.7571 5.7571 5.8903 5.8903 6.5622 6.5622 7.1156 7.1156 8.7244 8.7244 16.3782 16.3782 20.0748 20.0748 20.7671 20.7671 24.6118 24.6118 k = 0.6019-0.0588 0.4460 ( 716 PWs) bands (ev): -6.8646 -6.8646 4.3392 4.3392 4.5396 4.5396 4.9325 4.9325 5.7597 5.7597 5.8984 5.8984 6.5644 6.5644 7.1133 7.1133 8.7036 8.7036 16.4019 16.4019 20.0863 20.0863 20.7661 20.7661 24.5229 24.5229 k = 0.5972-0.0561 0.4536 ( 716 PWs) bands (ev): -6.8635 -6.8635 4.3433 4.3433 4.5409 4.5409 4.9242 4.9242 5.7626 5.7626 5.9082 5.9082 6.5670 6.5670 7.1103 7.1103 8.6789 8.6789 16.4302 16.4302 20.1004 20.1004 20.7650 20.7650 24.4215 24.4215 k = 0.5926-0.0535 0.4612 ( 716 PWs) bands (ev): -6.8623 -6.8623 4.3481 4.3481 4.5424 4.5424 4.9146 4.9146 5.7659 5.7659 5.9196 5.9196 6.5702 6.5702 7.1067 7.1067 8.6505 8.6505 16.4626 16.4626 20.1172 20.1172 20.7636 20.7636 24.3104 24.3104 k = 0.5880-0.0508 0.4687 ( 716 PWs) bands (ev): -6.8610 -6.8610 4.3534 4.3534 4.5442 4.5442 4.9040 4.9040 5.7695 5.7695 5.9324 5.9324 6.5739 6.5739 7.1022 7.1022 8.6190 8.6190 16.4987 16.4987 20.1367 20.1367 20.7621 20.7621 24.1919 24.1919 k = 0.5833-0.0481 0.4763 ( 716 PWs) bands (ev): -6.8595 -6.8595 4.3594 4.3594 4.5462 4.5462 4.8924 4.8924 5.7732 5.7732 5.9463 5.9463 6.5781 6.5781 7.0970 7.0970 8.5847 8.5847 16.5379 16.5379 20.1590 20.1590 20.7604 20.7604 24.0680 24.0680 k = 0.5787-0.0454 0.4838 ( 716 PWs) bands (ev): -6.8578 -6.8578 4.3660 4.3660 4.5485 4.5485 4.8802 4.8802 5.7771 5.7771 5.9614 5.9614 6.5829 6.5829 7.0908 7.0908 8.5483 8.5483 16.5796 16.5796 20.1839 20.1839 20.7587 20.7587 23.9405 23.9405 k = 0.5741-0.0428 0.4914 ( 715 PWs) bands (ev): -6.8561 -6.8561 4.3731 4.3731 4.5511 4.5511 4.8672 4.8672 5.7811 5.7811 5.9772 5.9772 6.5884 6.5884 7.0836 7.0836 8.5102 8.5102 16.6233 16.6233 20.2116 20.2116 20.7568 20.7568 23.8107 23.8107 k = 0.5694-0.0401 0.4990 ( 715 PWs) bands (ev): -6.8542 -6.8542 4.3805 4.3805 4.5541 4.5541 4.8538 4.8538 5.7851 5.7851 5.9938 5.9938 6.5944 6.5944 7.0753 7.0753 8.4711 8.4711 16.6684 16.6684 20.2419 20.2419 20.7548 20.7548 23.6800 23.6800 k = 0.5648-0.0374 0.5065 ( 715 PWs) bands (ev): -6.8523 -6.8523 4.3882 4.3882 4.5574 4.5574 4.8399 4.8399 5.7892 5.7892 6.0108 6.0108 6.6012 6.6012 7.0656 7.0656 8.4315 8.4315 16.7142 16.7142 20.2749 20.2749 20.7528 20.7528 23.5494 23.5494 k = 0.5602-0.0347 0.5141 ( 715 PWs) bands (ev): -6.8504 -6.8504 4.3962 4.3962 4.5610 4.5610 4.8258 4.8258 5.7933 5.7933 6.0282 6.0282 6.6086 6.6086 7.0545 7.0545 8.3920 8.3920 16.7601 16.7601 20.3103 20.3103 20.7508 20.7508 23.4200 23.4200 k = 0.5556-0.0321 0.5217 ( 717 PWs) bands (ev): -6.8484 -6.8484 4.4043 4.4043 4.5651 4.5651 4.8114 4.8114 5.7972 5.7972 6.0455 6.0455 6.6167 6.6167 7.0420 7.0420 8.3533 8.3533 16.8054 16.8054 20.3480 20.3480 20.7487 20.7487 23.2927 23.2927 k = 0.5509-0.0294 0.5292 ( 717 PWs) bands (ev): -6.8464 -6.8464 4.4124 4.4124 4.5696 4.5696 4.7970 4.7970 5.8011 5.8011 6.0628 6.0628 6.6257 6.6257 7.0278 7.0278 8.3158 8.3158 16.8496 16.8496 20.3878 20.3878 20.7468 20.7468 23.1686 23.1686 k = 0.5463-0.0267 0.5368 ( 719 PWs) bands (ev): -6.8444 -6.8444 4.4204 4.4204 4.5745 4.5745 4.7825 4.7825 5.8048 5.8048 6.0798 6.0798 6.6354 6.6354 7.0120 7.0120 8.2802 8.2802 16.8921 16.8921 20.4291 20.4291 20.7450 20.7450 23.0485 23.0485 k = 0.5417-0.0241 0.5443 ( 719 PWs) bands (ev): -6.8425 -6.8425 4.4283 4.4283 4.5799 4.5799 4.7682 4.7682 5.8084 5.8084 6.0962 6.0962 6.6459 6.6459 6.9945 6.9945 8.2470 8.2470 16.9323 16.9323 20.4716 20.4716 20.7433 20.7433 22.9335 22.9335 k = 0.5370-0.0214 0.5519 ( 717 PWs) bands (ev): -6.8406 -6.8406 4.4359 4.4359 4.5858 4.5858 4.7540 4.7540 5.8118 5.8118 6.1119 6.1119 6.6573 6.6573 6.9756 6.9756 8.2166 8.2166 16.9697 16.9697 20.5144 20.5144 20.7419 20.7419 22.8248 22.8248 k = 0.5324-0.0187 0.5595 ( 714 PWs) bands (ev): -6.8389 -6.8389 4.4432 4.4432 4.5923 4.5923 4.7400 4.7400 5.8149 5.8149 6.1266 6.1266 6.6695 6.6695 6.9553 6.9553 8.1894 8.1894 17.0039 17.0039 20.5567 20.5567 20.7408 20.7408 22.7235 22.7235 k = 0.5278-0.0160 0.5670 ( 714 PWs) bands (ev): -6.8373 -6.8373 4.4499 4.4499 4.5991 4.5991 4.7263 4.7263 5.8177 5.8177 6.1401 6.1401 6.6826 6.6826 6.9337 6.9337 8.1656 8.1656 17.0343 17.0343 20.5972 20.5972 20.7401 20.7401 22.6309 22.6309 k = 0.5231-0.0134 0.5746 ( 714 PWs) bands (ev): -6.8358 -6.8358 4.4560 4.4560 4.6064 4.6064 4.7130 4.7130 5.8201 5.8201 6.1521 6.1521 6.6965 6.6965 6.9114 6.9114 8.1455 8.1455 17.0607 17.0607 20.6345 20.6345 20.7402 20.7402 22.5486 22.5486 k = 0.5185-0.0107 0.5821 ( 716 PWs) bands (ev): -6.8346 -6.8346 4.4612 4.4612 4.6140 4.6140 4.7002 4.7002 5.8221 5.8221 6.1624 6.1624 6.7110 6.7110 6.8888 6.8888 8.1291 8.1291 17.0827 17.0827 20.6669 20.6669 20.7412 20.7412 22.4783 22.4783 k = 0.5139-0.0080 0.5897 ( 716 PWs) bands (ev): -6.8335 -6.8335 4.4657 4.4657 4.6219 4.6219 4.6882 4.6882 5.8237 5.8237 6.1708 6.1708 6.7259 6.7259 6.8667 6.8667 8.1166 8.1166 17.1000 17.1000 20.6921 20.6921 20.7440 20.7440 22.4215 22.4215 k = 0.5093-0.0053 0.5973 ( 720 PWs) bands (ev): -6.8327 -6.8327 4.4690 4.4690 4.6296 4.6296 4.6772 4.6772 5.8248 5.8248 6.1769 6.1769 6.7404 6.7404 6.8464 6.8464 8.1078 8.1078 17.1125 17.1125 20.7083 20.7083 20.7489 20.7489 22.3799 22.3799 k = 0.5046-0.0027 0.6048 ( 724 PWs) bands (ev): -6.8322 -6.8322 4.4711 4.4711 4.6362 4.6362 4.6685 4.6685 5.8255 5.8255 6.1807 6.1807 6.7526 6.7526 6.8304 6.8304 8.1026 8.1026 17.1201 17.1201 20.7163 20.7163 20.7539 20.7539 22.3545 22.3545 k = 0.5000-0.0000 0.6124 ( 724 PWs) bands (ev): -6.8321 -6.8321 4.4719 4.4719 4.6392 4.6392 4.6647 4.6647 5.8257 5.8257 6.1820 6.1820 6.7579 6.7579 6.8237 6.8237 8.1010 8.1010 17.1226 17.1226 20.7186 20.7186 20.7560 20.7560 22.3461 22.3461 k = 0.5000-0.0000 0.6124 ( 724 PWs) bands (ev): -6.8321 -6.8321 4.4719 4.4719 4.6392 4.6392 4.6647 4.6647 5.8257 5.8257 6.1820 6.1820 6.7579 6.7579 6.8237 6.8237 8.1010 8.1010 17.1226 17.1226 20.7186 20.7186 20.7560 20.7560 22.3461 22.3461 k = 0.5000 0.0054 0.6047 ( 724 PWs) bands (ev): -6.8323 -6.8323 4.4692 4.4692 4.6348 4.6348 4.6695 4.6695 5.8252 5.8252 6.1793 6.1793 6.7598 6.7598 6.8252 6.8252 8.1050 8.1050 17.1242 17.1242 20.7123 20.7123 20.7521 20.7521 22.3556 22.3556 k = 0.5000 0.0109 0.5970 ( 720 PWs) bands (ev): -6.8328 -6.8328 4.4613 4.4613 4.6265 4.6265 4.6790 4.6790 5.8239 5.8239 6.1716 6.1716 6.7637 6.7637 6.8312 6.8312 8.1170 8.1170 17.1291 17.1291 20.6866 20.6866 20.7481 20.7481 22.3834 22.3834 k = 0.5000 0.0163 0.5893 ( 718 PWs) bands (ev): -6.8338 -6.8338 4.4482 4.4482 4.6178 4.6178 4.6894 4.6894 5.8216 5.8216 6.1593 6.1593 6.7655 6.7655 6.8454 6.8454 8.1367 8.1367 17.1371 17.1371 20.6380 20.6380 20.7496 20.7496 22.4273 22.4273 k = 0.5000 0.0218 0.5816 ( 718 PWs) bands (ev): -6.8352 -6.8352 4.4303 4.4303 4.6099 4.6099 4.6992 4.6992 5.8185 5.8185 6.1435 6.1435 6.7628 6.7628 6.8696 6.8696 8.1636 8.1636 17.1484 17.1484 20.5713 20.5713 20.7546 20.7546 22.4843 22.4843 k = 0.5000 0.0272 0.5739 ( 718 PWs) bands (ev): -6.8369 -6.8369 4.4081 4.4081 4.6029 4.6029 4.7081 4.7081 5.8146 5.8146 6.1250 6.1250 6.7561 6.7561 6.9028 6.9028 8.1971 8.1971 17.1629 17.1629 20.4906 20.4906 20.7621 20.7621 22.5512 22.5512 k = 0.5000 0.0327 0.5662 ( 714 PWs) bands (ev): -6.8390 -6.8390 4.3821 4.3821 4.5965 4.5965 4.7159 4.7159 5.8102 5.8102 6.1049 6.1049 6.7469 6.7469 6.9431 6.9431 8.2366 8.2366 17.1807 17.1807 20.3990 20.3990 20.7718 20.7718 22.6253 22.6253 k = 0.5000 0.0381 0.5585 ( 714 PWs) bands (ev): -6.8415 -6.8415 4.3526 4.3526 4.5906 4.5906 4.7221 4.7221 5.8052 5.8052 6.0836 6.0836 6.7362 6.7362 6.9892 6.9892 8.2812 8.2812 17.2016 17.2016 20.2988 20.2988 20.7834 20.7834 22.7041 22.7041 k = 0.5000 0.0436 0.5508 ( 714 PWs) bands (ev): -6.8444 -6.8444 4.3202 4.3202 4.5850 4.5850 4.7269 4.7269 5.7999 5.7999 6.0620 6.0620 6.7247 6.7247 7.0400 7.0400 8.3304 8.3304 17.2257 17.2257 20.1920 20.1920 20.7968 20.7968 22.7857 22.7857 k = 0.5000 0.0490 0.5430 ( 716 PWs) bands (ev): -6.8475 -6.8475 4.2851 4.2851 4.5795 4.5795 4.7302 4.7302 5.7943 5.7943 6.0403 6.0403 6.7130 6.7130 7.0948 7.0948 8.3834 8.3834 17.2529 17.2529 20.0799 20.0799 20.8122 20.8122 22.8683 22.8683 k = 0.5000 0.0545 0.5353 ( 716 PWs) bands (ev): -6.8510 -6.8510 4.2477 4.2477 4.5740 4.5740 4.7320 4.7320 5.7887 5.7887 6.0190 6.0190 6.7014 6.7014 7.1533 7.1533 8.4397 8.4397 17.2834 17.2834 19.9638 19.9638 20.8294 20.8294 22.9507 22.9507 k = 0.5000 0.0599 0.5276 ( 716 PWs) bands (ev): -6.8549 -6.8549 4.2083 4.2083 4.5683 4.5683 4.7323 4.7323 5.7832 5.7832 5.9983 5.9983 6.6903 6.6903 7.2151 7.2151 8.4987 8.4987 17.3169 17.3169 19.8445 19.8445 20.8485 20.8485 23.0317 23.0317 k = 0.5000 0.0654 0.5199 ( 714 PWs) bands (ev): -6.8590 -6.8590 4.1671 4.1671 4.5626 4.5626 4.7312 4.7312 5.7778 5.7778 5.9786 5.9786 6.6798 6.6798 7.2799 7.2799 8.5598 8.5598 17.3534 17.3534 19.7226 19.7226 20.8695 20.8695 23.1103 23.1103 k = 0.5000 0.0708 0.5122 ( 718 PWs) bands (ev): -6.8634 -6.8634 4.1241 4.1241 4.5564 4.5564 4.7287 4.7287 5.7726 5.7726 5.9597 5.9597 6.6700 6.6700 7.3472 7.3472 8.6227 8.6227 17.3930 17.3930 19.5988 19.5988 20.8924 20.8924 23.1858 23.1858 k = 0.5000 0.0763 0.5045 ( 716 PWs) bands (ev): -6.8681 -6.8681 4.0798 4.0798 4.5503 4.5503 4.7250 4.7250 5.7677 5.7677 5.9420 5.9420 6.6610 6.6610 7.4173 7.4173 8.6868 8.6868 17.4356 17.4356 19.4733 19.4733 20.9172 20.9172 23.2575 23.2575 k = 0.5000 0.0817 0.4968 ( 714 PWs) bands (ev): -6.8731 -6.8731 4.0343 4.0343 4.5439 4.5439 4.7202 4.7202 5.7631 5.7631 5.9255 5.9255 6.6529 6.6529 7.4896 7.4896 8.7518 8.7518 17.4811 17.4811 19.3467 19.3467 20.9439 20.9439 23.3247 23.3247 k = 0.5000 0.0871 0.4891 ( 714 PWs) bands (ev): -6.8783 -6.8783 3.9878 3.9878 4.5372 4.5372 4.7141 4.7141 5.7588 5.7588 5.9101 5.9101 6.6456 6.6456 7.5642 7.5642 8.8173 8.8173 17.5294 17.5294 19.2192 19.2192 20.9727 20.9727 23.3869 23.3869 k = 0.5000 0.0926 0.4814 ( 714 PWs) bands (ev): -6.8837 -6.8837 3.9405 3.9405 4.5303 4.5303 4.7071 4.7071 5.7550 5.7550 5.8961 5.8961 6.6392 6.6392 7.6408 7.6408 8.8830 8.8830 17.5804 17.5804 19.0911 19.0911 21.0034 21.0034 23.4437 23.4437 k = 0.5000 0.0980 0.4737 ( 714 PWs) bands (ev): -6.8893 -6.8893 3.8925 3.8925 4.5232 4.5232 4.6992 4.6992 5.7515 5.7515 5.8833 5.8833 6.6335 6.6335 7.7194 7.7194 8.9487 8.9487 17.6341 17.6341 18.9625 18.9625 21.0362 21.0362 23.4946 23.4946 k = 0.5000 0.1035 0.4660 ( 720 PWs) bands (ev): -6.8950 -6.8950 3.8439 3.8439 4.5157 4.5157 4.6905 4.6905 5.7483 5.7483 5.8716 5.8716 6.6286 6.6286 7.7998 7.7998 9.0140 9.0140 17.6902 17.6902 18.8337 18.8337 21.0710 21.0710 23.5394 23.5394 k = 0.5000 0.1089 0.4583 ( 720 PWs) bands (ev): -6.9009 -6.9009 3.7951 3.7951 4.5082 4.5082 4.6811 4.6811 5.7457 5.7457 5.8613 5.8613 6.6244 6.6244 7.8819 7.8819 9.0787 9.0787 17.7486 17.7486 18.7049 18.7049 21.1081 21.1081 23.5779 23.5779 k = 0.5000 0.1144 0.4506 ( 716 PWs) bands (ev): -6.9070 -6.9070 3.7463 3.7463 4.5007 4.5007 4.6713 4.6713 5.7435 5.7435 5.8522 5.8522 6.6210 6.6210 7.9656 7.9656 9.1427 9.1427 17.8092 17.8092 18.5762 18.5762 21.1473 21.1473 23.6099 23.6099 k = 0.5000 0.1198 0.4429 ( 716 PWs) bands (ev): -6.9131 -6.9131 3.6974 3.6974 4.4929 4.4929 4.6610 4.6610 5.7415 5.7415 5.8441 5.8441 6.6181 6.6181 8.0508 8.0508 9.2057 9.2057 17.8717 17.8717 18.4477 18.4477 21.1888 21.1888 23.6355 23.6355 k = 0.5000 0.1253 0.4352 ( 718 PWs) bands (ev): -6.9194 -6.9194 3.6487 3.6487 4.4849 4.4849 4.6503 4.6503 5.7400 5.7400 5.8369 5.8369 6.6158 6.6158 8.1373 8.1373 9.2675 9.2675 17.9359 17.9359 18.3198 18.3198 21.2327 21.2327 23.6546 23.6546 k = 0.5000 0.1307 0.4275 ( 716 PWs) bands (ev): -6.9257 -6.9257 3.6004 3.6004 4.4770 4.4770 4.6393 4.6393 5.7388 5.7388 5.8309 5.8309 6.6140 6.6140 8.2250 8.2250 9.3281 9.3281 18.0009 18.0009 18.1931 18.1931 21.2789 21.2789 23.6675 23.6675 k = 0.5000 0.1362 0.4198 ( 714 PWs) bands (ev): -6.9320 -6.9320 3.5526 3.5526 4.4690 4.4690 4.6282 4.6282 5.7380 5.7380 5.8256 5.8256 6.6127 6.6127 8.3139 8.3139 9.3871 9.3871 18.0468 18.0468 18.0875 18.0875 21.3276 21.3276 23.6742 23.6742 k = 0.5000 0.1416 0.4121 ( 714 PWs) bands (ev): -6.9384 -6.9384 3.5054 3.5054 4.4610 4.4610 4.6170 4.6170 5.7375 5.7375 5.8211 5.8211 6.6118 6.6118 8.4036 8.4036 9.4447 9.4447 17.9356 17.9356 18.1408 18.1408 21.3789 21.3789 23.6752 23.6752 k = 0.5000 0.1471 0.4044 ( 714 PWs) bands (ev): -6.9448 -6.9448 3.4590 3.4590 4.4529 4.4529 4.6058 4.6058 5.7373 5.7373 5.8172 5.8172 6.6112 6.6112 8.4940 8.4940 9.5005 9.5005 17.8111 17.8111 18.2091 18.2091 21.4328 21.4328 23.6707 23.6707 k = 0.5000 0.1525 0.3967 ( 714 PWs) bands (ev): -6.9511 -6.9511 3.4135 3.4135 4.4449 4.4449 4.5946 4.5946 5.7375 5.7375 5.8140 5.8140 6.6110 6.6110 8.5851 8.5851 9.5546 9.5546 17.6870 17.6870 18.2786 18.2786 21.4893 21.4893 23.6611 23.6611 k = 0.5000 0.1580 0.3890 ( 714 PWs) bands (ev): -6.9574 -6.9574 3.3689 3.3689 4.4369 4.4369 4.5835 4.5835 5.7379 5.7379 5.8113 5.8113 6.6111 6.6111 8.6766 8.6766 9.6068 9.6068 17.5640 17.5640 18.3483 18.3483 21.5486 21.5486 23.6470 23.6470 k = 0.5000 0.1634 0.3813 ( 714 PWs) bands (ev): -6.9636 -6.9636 3.3255 3.3255 4.4290 4.4290 4.5726 4.5726 5.7385 5.7385 5.8090 5.8090 6.6115 6.6115 8.7683 8.7683 9.6570 9.6570 17.4423 17.4423 18.4180 18.4180 21.6106 21.6106 23.6287 23.6287 k = 0.5000 0.1688 0.3736 ( 714 PWs) bands (ev): -6.9698 -6.9698 3.2833 3.2833 4.4212 4.4212 4.5619 4.5619 5.7395 5.7395 5.8072 5.8072 6.6121 6.6121 8.8600 8.8600 9.7053 9.7053 17.3221 17.3221 18.4872 18.4872 21.6754 21.6754 23.6069 23.6069 k = 0.5000 0.1743 0.3659 ( 714 PWs) bands (ev): -6.9758 -6.9758 3.2424 3.2424 4.4135 4.4135 4.5515 4.5515 5.7407 5.7407 5.8057 5.8057 6.6128 6.6128 8.9515 8.9515 9.7515 9.7515 17.2036 17.2036 18.5556 18.5556 21.7429 21.7429 23.5820 23.5820 k = 0.5000 0.1797 0.3582 ( 716 PWs) bands (ev): -6.9817 -6.9817 3.2028 3.2028 4.4060 4.4060 4.5414 4.5414 5.7420 5.7420 5.8045 5.8045 6.6137 6.6137 9.0426 9.0426 9.7957 9.7957 17.0870 17.0870 18.6229 18.6229 21.8131 21.8131 23.5545 23.5545 k = 0.5000 0.1852 0.3505 ( 716 PWs) bands (ev): -6.9874 -6.9874 3.1648 3.1648 4.3986 4.3986 4.5316 4.5316 5.7436 5.7436 5.8036 5.8036 6.6148 6.6148 9.1330 9.1330 9.8377 9.8377 16.9726 16.9726 18.6886 18.6886 21.8859 21.8859 23.5250 23.5250 k = 0.5000 0.1906 0.3428 ( 722 PWs) bands (ev): -6.9930 -6.9930 3.1282 3.1282 4.3913 4.3913 4.5222 4.5222 5.7451 5.7451 5.8028 5.8028 6.6159 6.6159 9.2224 9.2224 9.8776 9.8776 16.8606 16.8606 18.7526 18.7526 21.9610 21.9610 23.4940 23.4940 k = 0.5000 0.1961 0.3351 ( 718 PWs) bands (ev): -6.9983 -6.9983 3.0933 3.0933 4.3844 4.3844 4.5133 4.5133 5.7470 5.7470 5.8024 5.8024 6.6171 6.6171 9.3105 9.3105 9.9153 9.9153 16.7513 16.7513 18.8145 18.8145 22.0384 22.0384 23.4620 23.4620 k = 0.5000 0.2015 0.3274 ( 716 PWs) bands (ev): -7.0035 -7.0035 3.0601 3.0601 4.3778 4.3778 4.5048 4.5048 5.7489 5.7489 5.8021 5.8021 6.6184 6.6184 9.3970 9.3970 9.9509 9.9509 16.6450 16.6450 18.8740 18.8740 22.1176 22.1176 23.4295 23.4295 k = 0.5000 0.2070 0.3197 ( 716 PWs) bands (ev): -7.0085 -7.0085 3.0286 3.0286 4.3713 4.3713 4.4968 4.4968 5.7507 5.7507 5.8019 5.8019 6.6197 6.6197 9.4815 9.4815 9.9843 9.9843 16.5420 16.5420 18.9308 18.9308 22.1982 22.1982 23.3969 23.3969 k = 0.5000 0.2124 0.3120 ( 722 PWs) bands (ev): -7.0132 -7.0132 2.9989 2.9989 4.3651 4.3651 4.4891 4.4891 5.7523 5.7523 5.8017 5.8017 6.6210 6.6210 9.5637 9.5637 10.0154 10.0154 16.4427 16.4427 18.9847 18.9847 22.2798 22.2798 23.3647 23.3647 k = 0.5000 0.2179 0.3043 ( 722 PWs) bands (ev): -7.0176 -7.0176 2.9711 2.9711 4.3592 4.3592 4.4820 4.4820 5.7541 5.7541 5.8018 5.8018 6.6223 6.6223 9.6432 9.6432 10.0444 10.0444 16.3474 16.3474 19.0355 19.0355 22.3618 22.3618 23.3334 23.3334 k = 0.5000 0.2233 0.2966 ( 724 PWs) bands (ev): -7.0218 -7.0218 2.9451 2.9451 4.3537 4.3537 4.4754 4.4754 5.7558 5.7558 5.8019 5.8019 6.6235 6.6235 9.7195 9.7195 10.0712 10.0712 16.2565 16.2565 19.0830 19.0830 22.4434 22.4434 23.3032 23.3032 k = 0.5000 0.2288 0.2889 ( 724 PWs) bands (ev): -7.0257 -7.0257 2.9211 2.9211 4.3485 4.3485 4.4694 4.4694 5.7575 5.7575 5.8021 5.8021 6.6247 6.6247 9.7921 9.7921 10.0959 10.0959 16.1705 16.1705 19.1271 19.1271 22.5238 22.5238 23.2748 23.2748 k = 0.5000 0.2342 0.2812 ( 720 PWs) bands (ev): -7.0293 -7.0293 2.8990 2.8990 4.3439 4.3439 4.4639 4.4639 5.7591 5.7591 5.8025 5.8025 6.6259 6.6259 9.8608 9.8608 10.1183 10.1183 16.0897 16.0897 19.1677 19.1677 22.6019 22.6019 23.2485 23.2485 k = 0.5000 0.2397 0.2734 ( 720 PWs) bands (ev): -7.0326 -7.0326 2.8790 2.8790 4.3395 4.3395 4.4589 4.4589 5.7605 5.7605 5.8029 5.8029 6.6270 6.6270 9.9248 9.9248 10.1387 10.1387 16.0147 16.0147 19.2046 19.2046 22.6767 22.6767 23.2248 23.2248 k = 0.5000 0.2451 0.2657 ( 720 PWs) bands (ev): -7.0355 -7.0355 2.8610 2.8610 4.3355 4.3355 4.4544 4.4544 5.7618 5.7618 5.8032 5.8032 6.6280 6.6280 9.9838 9.9838 10.1569 10.1569 15.9459 15.9459 19.2377 19.2377 22.7468 22.7468 23.2041 23.2041 k = 0.5000 0.2505 0.2580 ( 716 PWs) bands (ev): -7.0382 -7.0382 2.8450 2.8450 4.3321 4.3321 4.4505 4.4505 5.7630 5.7630 5.8037 5.8037 6.6290 6.6290 10.0373 10.0373 10.1729 10.1729 15.8839 15.8839 19.2670 19.2670 22.8106 22.8106 23.1873 23.1873 k = 0.5000 0.2560 0.2503 ( 716 PWs) bands (ev): -7.0405 -7.0405 2.8311 2.8311 4.3290 4.3290 4.4471 4.4471 5.7640 5.7640 5.8041 5.8041 6.6298 6.6298 10.0847 10.0847 10.1870 10.1870 15.8289 15.8289 19.2925 19.2925 22.8664 22.8664 23.1750 23.1750 k = 0.5000 0.2614 0.2426 ( 714 PWs) bands (ev): -7.0425 -7.0425 2.8194 2.8194 4.3264 4.3264 4.4442 4.4442 5.7649 5.7649 5.8045 5.8045 6.6305 6.6305 10.1254 10.1254 10.1990 10.1990 15.7815 15.7815 19.3141 19.3141 22.9123 22.9123 23.1681 23.1681 k = 0.5000 0.2669 0.2349 ( 716 PWs) bands (ev): -7.0441 -7.0441 2.8097 2.8097 4.3241 4.3241 4.4418 4.4418 5.7655 5.7655 5.8049 5.8049 6.6311 6.6311 10.1590 10.1590 10.2093 10.2093 15.7422 15.7422 19.3317 19.3317 22.9470 22.9470 23.1670 23.1670 k = 0.5000 0.2723 0.2272 ( 718 PWs) bands (ev): -7.0453 -7.0453 2.8022 2.8022 4.3223 4.3223 4.4399 4.4399 5.7660 5.7660 5.8051 5.8051 6.6315 6.6315 10.1848 10.1848 10.2180 10.2180 15.7111 15.7111 19.3455 19.3455 22.9704 22.9704 23.1709 23.1709 k = 0.5000 0.2778 0.2195 ( 718 PWs) bands (ev): -7.0462 -7.0462 2.7968 2.7968 4.3211 4.3211 4.4385 4.4385 5.7664 5.7664 5.8053 5.8053 6.6319 6.6319 10.2020 10.2020 10.2256 10.2256 15.6888 15.6888 19.3553 19.3553 22.9842 22.9842 23.1772 23.1772 k = 0.5000 0.2832 0.2118 ( 718 PWs) bands (ev): -7.0468 -7.0468 2.7935 2.7935 4.3203 4.3203 4.4378 4.4378 5.7666 5.7666 5.8054 5.8054 6.6321 6.6321 10.2110 10.2110 10.2316 10.2316 15.6752 15.6752 19.3612 19.3612 22.9910 22.9910 23.1826 23.1826 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -7.0470 -7.0470 2.7925 2.7925 4.3201 4.3201 4.4375 4.4375 5.7667 5.7667 5.8055 5.8055 6.6321 6.6321 10.2136 10.2136 10.2340 10.2340 15.6707 15.6707 19.3632 19.3632 22.9931 22.9931 23.1847 23.1847 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -7.0470 -7.0470 2.7925 2.7925 4.3201 4.3201 4.4375 4.4375 5.7667 5.7667 5.8055 5.8055 6.6321 6.6321 10.2136 10.2136 10.2340 10.2340 15.6707 15.6707 19.3632 19.3632 22.9931 22.9931 23.1847 23.1847 k = 0.4973 0.2871 0.2130 ( 718 PWs) bands (ev): -7.0468 -7.0468 2.7935 2.7935 4.3203 4.3203 4.4378 4.4378 5.7666 5.7666 5.8055 5.8055 6.6321 6.6321 10.2110 10.2110 10.2316 10.2316 15.6752 15.6752 19.3612 19.3612 22.9910 22.9910 23.1826 23.1826 k = 0.4946 0.2855 0.2219 ( 718 PWs) bands (ev): -7.0462 -7.0462 2.7968 2.7968 4.3211 4.3211 4.4385 4.4385 5.7664 5.7664 5.8053 5.8053 6.6319 6.6319 10.2021 10.2021 10.2257 10.2257 15.6887 15.6887 19.3554 19.3554 22.9842 22.9842 23.1772 23.1772 k = 0.4918 0.2840 0.2307 ( 718 PWs) bands (ev): -7.0453 -7.0453 2.8021 2.8021 4.3223 4.3223 4.4399 4.4399 5.7660 5.7660 5.8051 5.8051 6.6315 6.6315 10.1849 10.1849 10.2181 10.2181 15.7110 15.7110 19.3456 19.3456 22.9705 22.9705 23.1709 23.1709 k = 0.4891 0.2824 0.2396 ( 715 PWs) bands (ev): -7.0441 -7.0441 2.8096 2.8096 4.3241 4.3241 4.4418 4.4418 5.7655 5.7655 5.8049 5.8049 6.6311 6.6311 10.1592 10.1592 10.2094 10.2094 15.7419 15.7419 19.3319 19.3319 22.9472 22.9472 23.1671 23.1671 k = 0.4864 0.2808 0.2485 ( 713 PWs) bands (ev): -7.0425 -7.0425 2.8193 2.8193 4.3263 4.3263 4.4442 4.4442 5.7649 5.7649 5.8046 5.8046 6.6306 6.6306 10.1257 10.1257 10.1994 10.1994 15.7811 15.7811 19.3143 19.3143 22.9126 22.9126 23.1683 23.1683 k = 0.4837 0.2793 0.2574 ( 715 PWs) bands (ev): -7.0405 -7.0405 2.8310 2.8310 4.3289 4.3289 4.4471 4.4471 5.7640 5.7640 5.8042 5.8042 6.6298 6.6298 10.0849 10.0849 10.1876 10.1876 15.8282 15.8282 19.2928 19.2928 22.8667 22.8667 23.1754 23.1754 k = 0.4810 0.2777 0.2662 ( 721 PWs) bands (ev): -7.0382 -7.0382 2.8448 2.8448 4.3319 4.3319 4.4504 4.4504 5.7629 5.7629 5.8036 5.8036 6.6290 6.6290 10.0373 10.0373 10.1739 10.1739 15.8829 15.8829 19.2674 19.2674 22.8107 22.8107 23.1881 23.1881 k = 0.4783 0.2761 0.2751 ( 721 PWs) bands (ev): -7.0356 -7.0356 2.8606 2.8606 4.3355 4.3355 4.4544 4.4544 5.7617 5.7617 5.8032 5.8032 6.6280 6.6280 9.9836 9.9836 10.1584 10.1584 15.9446 15.9446 19.2382 19.2382 22.7465 22.7465 23.2057 23.2057 k = 0.4755 0.2746 0.2840 ( 721 PWs) bands (ev): -7.0326 -7.0326 2.8786 2.8786 4.3394 4.3394 4.4589 4.4589 5.7605 5.7605 5.8028 5.8028 6.6270 6.6270 9.9242 9.9242 10.1410 10.1410 16.0129 16.0129 19.2053 19.2053 22.6759 22.6759 23.2274 23.2274 k = 0.4728 0.2730 0.2929 ( 721 PWs) bands (ev): -7.0294 -7.0294 2.8986 2.8986 4.3438 4.3438 4.4639 4.4639 5.7591 5.7591 5.8025 5.8025 6.6260 6.6260 9.8595 9.8595 10.1218 10.1218 16.0874 16.0874 19.1686 19.1686 22.6003 22.6003 23.2528 23.2528 k = 0.4701 0.2714 0.3017 ( 721 PWs) bands (ev): -7.0258 -7.0258 2.9205 2.9205 4.3485 4.3485 4.4694 4.4694 5.7575 5.7575 5.8022 5.8022 6.6248 6.6248 9.7900 9.7900 10.1008 10.1008 16.1673 16.1673 19.1283 19.1283 22.5210 22.5210 23.2813 23.2813 k = 0.4674 0.2698 0.3106 ( 723 PWs) bands (ev): -7.0219 -7.0219 2.9444 2.9444 4.3535 4.3535 4.4754 4.4754 5.7558 5.7558 5.8019 5.8019 6.6236 6.6236 9.7161 9.7161 10.0781 10.0781 16.2522 16.2522 19.0844 19.0844 22.4392 22.4392 23.3128 23.3128 k = 0.4647 0.2683 0.3195 ( 721 PWs) bands (ev): -7.0177 -7.0177 2.9703 2.9703 4.3590 4.3590 4.4821 4.4821 5.7540 5.7540 5.8018 5.8018 6.6223 6.6223 9.6383 9.6383 10.0537 10.0537 16.3417 16.3417 19.0373 19.0373 22.3560 22.3560 23.3469 23.3469 k = 0.4620 0.2667 0.3284 ( 721 PWs) bands (ev): -7.0133 -7.0133 2.9980 2.9980 4.3648 4.3648 4.4892 4.4892 5.7521 5.7521 5.8017 5.8017 6.6211 6.6211 9.5570 9.5570 10.0276 10.0276 16.4350 16.4350 18.9870 18.9870 22.2720 22.2720 23.3834 23.3834 k = 0.4592 0.2651 0.3372 ( 718 PWs) bands (ev): -7.0086 -7.0086 3.0276 3.0276 4.3709 4.3709 4.4970 4.4970 5.7503 5.7503 5.8018 5.8018 6.6198 6.6198 9.4726 9.4726 10.0000 10.0000 16.5316 16.5316 18.9338 18.9338 22.1882 22.1882 23.4222 23.4222 k = 0.4565 0.2636 0.3461 ( 714 PWs) bands (ev): -7.0037 -7.0037 3.0590 3.0590 4.3773 4.3773 4.5053 4.5053 5.7485 5.7485 5.8020 5.8020 6.6185 6.6185 9.3855 9.3855 9.9709 9.9709 16.6309 16.6309 18.8781 18.8781 22.1050 22.1050 23.4629 23.4629 k = 0.4538 0.2620 0.3550 ( 714 PWs) bands (ev): -6.9986 -6.9986 3.0921 3.0921 4.3838 4.3838 4.5141 4.5141 5.7465 5.7465 5.8022 5.8022 6.6173 6.6173 9.2959 9.2959 9.9403 9.9403 16.7322 16.7322 18.8203 18.8203 22.0231 22.0231 23.5054 23.5054 k = 0.4511 0.2604 0.3639 ( 712 PWs) bands (ev): -6.9933 -6.9933 3.1269 3.1269 4.3906 4.3906 4.5234 4.5234 5.7445 5.7445 5.8025 5.8025 6.6161 6.6161 9.2044 9.2044 9.9084 9.9084 16.8348 16.8348 18.7609 18.7609 21.9427 21.9427 23.5495 23.5495 k = 0.4484 0.2589 0.3727 ( 712 PWs) bands (ev): -6.9878 -6.9878 3.1632 3.1632 4.3975 4.3975 4.5333 4.5333 5.7426 5.7426 5.8030 5.8030 6.6150 6.6150 9.1112 9.1112 9.8752 9.8752 16.9377 16.9377 18.7007 18.7007 21.8644 21.8644 23.5951 23.5951 k = 0.4457 0.2573 0.3816 ( 712 PWs) bands (ev): -6.9821 -6.9821 3.2011 3.2011 4.4045 4.4045 4.5436 4.5436 5.7407 5.7407 5.8036 5.8036 6.6140 6.6140 9.0165 9.0165 9.8407 9.8407 17.0399 17.0399 18.6407 18.6407 21.7883 21.7883 23.6419 23.6419 k = 0.4429 0.2557 0.3905 ( 708 PWs) bands (ev): -6.9763 -6.9763 3.2405 3.2405 4.4118 4.4118 4.5546 4.5546 5.7391 5.7391 5.8045 5.8045 6.6131 6.6131 8.9208 8.9208 9.8051 9.8051 17.1399 17.1399 18.5823 18.5823 21.7147 21.7147 23.6898 23.6898 k = 0.4402 0.2542 0.3994 ( 710 PWs) bands (ev): -6.9704 -6.9704 3.2813 3.2813 4.4190 4.4190 4.5659 4.5659 5.7374 5.7374 5.8053 5.8053 6.6124 6.6124 8.8242 8.8242 9.7685 9.7685 17.2358 17.2358 18.5272 18.5272 21.6437 21.6437 23.7385 23.7385 k = 0.4375 0.2526 0.4082 ( 712 PWs) bands (ev): -6.9644 -6.9644 3.3233 3.3233 4.4262 4.4262 4.5778 4.5778 5.7359 5.7359 5.8063 5.8063 6.6119 6.6119 8.7270 8.7270 9.7308 9.7308 17.3248 17.3248 18.4782 18.4782 21.5754 21.5754 23.7879 23.7879 k = 0.4348 0.2510 0.4171 ( 712 PWs) bands (ev): -6.9583 -6.9583 3.3665 3.3665 4.4336 4.4336 4.5902 4.5902 5.7347 5.7347 5.8075 5.8075 6.6116 6.6116 8.6295 8.6295 9.6923 9.6923 17.4033 17.4033 18.4390 18.4390 21.5098 21.5098 23.8379 23.8379 k = 0.4321 0.2495 0.4260 ( 708 PWs) bands (ev): -6.9522 -6.9522 3.4109 3.4109 4.4411 4.4411 4.6032 4.6032 5.7336 5.7336 5.8089 5.8089 6.6116 6.6116 8.5320 8.5320 9.6529 9.6529 17.4664 17.4664 18.4145 18.4145 21.4471 21.4471 23.8882 23.8882 k = 0.4293 0.2479 0.4349 ( 708 PWs) bands (ev): -6.9460 -6.9460 3.4562 3.4562 4.4484 4.4484 4.6165 4.6165 5.7328 5.7328 5.8104 5.8104 6.6119 6.6119 8.4348 8.4348 9.6128 9.6128 17.5088 17.5088 18.4097 18.4097 21.3871 21.3871 23.9386 23.9386 k = 0.4266 0.2463 0.4437 ( 707 PWs) bands (ev): -6.9399 -6.9399 3.5024 3.5024 4.4558 4.4558 4.6303 4.6303 5.7322 5.7322 5.8120 5.8120 6.6125 6.6125 8.3380 8.3380 9.5719 9.5719 17.5270 17.5270 18.4284 18.4284 21.3299 21.3299 23.9890 23.9890 k = 0.4239 0.2447 0.4526 ( 707 PWs) bands (ev): -6.9338 -6.9338 3.5493 3.5493 4.4630 4.4630 4.6445 4.6445 5.7319 5.7319 5.8138 5.8138 6.6134 6.6134 8.2419 8.2419 9.5305 9.5305 17.5206 17.5206 18.4708 18.4708 21.2754 21.2754 24.0393 24.0393 k = 0.4212 0.2432 0.4615 ( 707 PWs) bands (ev): -6.9278 -6.9278 3.5969 3.5969 4.4701 4.4701 4.6591 4.6591 5.7318 5.7318 5.8158 5.8158 6.6148 6.6148 8.1467 8.1467 9.4885 9.4885 17.4930 17.4930 18.5335 18.5335 21.2236 21.2236 24.0892 24.0892 k = 0.4185 0.2416 0.4704 ( 707 PWs) bands (ev): -6.9219 -6.9219 3.6449 3.6449 4.4770 4.4770 4.6741 4.6741 5.7320 5.7320 5.8180 5.8180 6.6165 6.6165 8.0529 8.0529 9.4461 9.4461 17.4493 17.4493 18.6116 18.6116 21.1745 21.1745 24.1387 24.1387 k = 0.4158 0.2400 0.4792 ( 710 PWs) bands (ev): -6.9161 -6.9161 3.6932 3.6932 4.4837 4.4837 4.6895 4.6895 5.7324 5.7324 5.8202 5.8202 6.6185 6.6185 7.9606 7.9606 9.4032 9.4032 17.3940 17.3940 18.7003 18.7003 21.1280 21.1280 24.1875 24.1875 k = 0.4130 0.2385 0.4881 ( 714 PWs) bands (ev): -6.9105 -6.9105 3.7416 3.7416 4.4903 4.4903 4.7051 4.7051 5.7331 5.7331 5.8227 5.8227 6.6210 6.6210 7.8701 7.8701 9.3601 9.3601 17.3310 17.3310 18.7957 18.7957 21.0841 21.0841 24.2356 24.2356 k = 0.4103 0.2369 0.4970 ( 714 PWs) bands (ev): -6.9050 -6.9050 3.7901 3.7901 4.4966 4.4966 4.7212 4.7212 5.7341 5.7341 5.8254 5.8254 6.6238 6.6238 7.7818 7.7818 9.3167 9.3167 17.2627 17.2627 18.8954 18.8954 21.0428 21.0428 24.2829 24.2829 k = 0.4076 0.2353 0.5059 ( 714 PWs) bands (ev): -6.8998 -6.8998 3.8383 3.8383 4.5027 4.5027 4.7375 4.7375 5.7353 5.7353 5.8283 5.8283 6.6269 6.6269 7.6962 7.6962 9.2732 9.2732 17.1910 17.1910 18.9973 18.9973 21.0041 21.0041 24.3292 24.3292 k = 0.4049 0.2338 0.5147 ( 716 PWs) bands (ev): -6.8949 -6.8949 3.8862 3.8862 4.5084 4.5084 4.7542 4.7542 5.7366 5.7366 5.8314 5.8314 6.6301 6.6301 7.6135 7.6135 9.2295 9.2295 17.1173 17.1173 19.1000 19.1000 20.9679 20.9679 24.3744 24.3744 k = 0.4022 0.2322 0.5236 ( 718 PWs) bands (ev): -6.8902 -6.8902 3.9335 3.9335 4.5137 4.5137 4.7711 4.7711 5.7382 5.7382 5.8347 5.8347 6.6333 6.6333 7.5344 7.5344 9.1858 9.1858 17.0425 17.0425 19.2024 19.2024 20.9343 20.9343 24.4185 24.4185 k = 0.3995 0.2306 0.5325 ( 718 PWs) bands (ev): -6.8859 -6.8859 3.9800 3.9800 4.5187 4.5187 4.7883 4.7883 5.7399 5.7399 5.8382 5.8382 6.6361 6.6361 7.4595 7.4595 9.1422 9.1422 16.9672 16.9672 19.3037 19.3037 20.9033 20.9033 24.4614 24.4614 k = 0.3967 0.2291 0.5414 ( 718 PWs) bands (ev): -6.8819 -6.8819 4.0256 4.0256 4.5231 4.5231 4.8058 4.8058 5.7417 5.7417 5.8419 5.8419 6.6383 6.6383 7.3895 7.3895 9.0987 9.0987 16.8921 16.8921 19.4031 19.4031 20.8750 20.8750 24.5030 24.5030 k = 0.3940 0.2275 0.5502 ( 718 PWs) bands (ev): -6.8783 -6.8783 4.0701 4.0701 4.5270 4.5270 4.8235 4.8235 5.7435 5.7435 5.8457 5.8457 6.6393 6.6393 7.3253 7.3253 9.0553 9.0553 16.8176 16.8176 19.4999 19.4999 20.8495 20.8495 24.5433 24.5433 k = 0.3913 0.2259 0.5591 ( 716 PWs) bands (ev): -6.8752 -6.8752 4.1132 4.1132 4.5303 4.5303 4.8416 4.8416 5.7454 5.7454 5.8498 5.8498 6.6382 6.6382 7.2680 7.2680 9.0122 9.0122 16.7440 16.7440 19.5936 19.5936 20.8270 20.8270 24.5823 24.5823 k = 0.3886 0.2244 0.5680 ( 716 PWs) bands (ev): -6.8725 -6.8725 4.1546 4.1546 4.5330 4.5330 4.8597 4.8597 5.7471 5.7471 5.8540 5.8540 6.6345 6.6345 7.2187 7.2187 8.9694 8.9694 16.6715 16.6715 19.6835 19.6835 20.8075 20.8075 24.6199 24.6199 k = 0.3859 0.2228 0.5769 ( 716 PWs) bands (ev): -6.8703 -6.8703 4.1943 4.1943 4.5349 4.5349 4.8780 4.8780 5.7487 5.7487 5.8582 5.8582 6.6272 6.6272 7.1785 7.1785 8.9270 8.9270 16.6005 16.6005 19.7690 19.7690 20.7915 20.7915 24.6560 24.6560 k = 0.3832 0.2212 0.5857 ( 716 PWs) bands (ev): -6.8686 -6.8686 4.2320 4.2320 4.5362 4.5362 4.8965 4.8965 5.7501 5.7501 5.8626 5.8626 6.6157 6.6157 7.1484 7.1484 8.8851 8.8851 16.5312 16.5312 19.8495 19.8495 20.7792 20.7792 24.6908 24.6908 k = 0.3804 0.2196 0.5946 ( 718 PWs) bands (ev): -6.8675 -6.8675 4.2673 4.2673 4.5368 4.5368 4.9150 4.9150 5.7511 5.7511 5.8669 5.8669 6.6000 6.6000 7.1288 7.1288 8.8436 8.8436 16.4636 16.4636 19.9244 19.9244 20.7711 20.7711 24.7242 24.7242 k = 0.3777 0.2181 0.6035 ( 718 PWs) bands (ev): -6.8669 -6.8669 4.2999 4.2999 4.5369 4.5369 4.9337 4.9337 5.7519 5.7519 5.8712 5.8712 6.5806 6.5806 7.1194 7.1194 8.8028 8.8028 16.3981 16.3981 19.9929 19.9929 20.7675 20.7675 24.7562 24.7562 k = 0.3750 0.2165 0.6124 ( 718 PWs) bands (ev): -6.8670 -6.8670 4.3295 4.3295 4.5368 4.5368 4.9526 4.9526 5.7523 5.7523 5.8755 5.8755 6.5585 6.5585 7.1195 7.1195 8.7625 8.7625 16.3346 16.3346 20.0544 20.0544 20.7689 20.7689 24.7869 24.7869 k = 0.6250-0.0722 0.4082 ( 718 PWs) bands (ev): -6.8670 -6.8670 4.3295 4.3295 4.5368 4.5368 4.9526 4.9526 5.7523 5.7523 5.8755 5.8755 6.5585 6.5585 7.1195 7.1195 8.7625 8.7625 16.3346 16.3346 20.0544 20.0544 20.7689 20.7689 24.7869 24.7869 k = 0.6204-0.0802 0.4082 ( 718 PWs) bands (ev): -6.8679 -6.8679 4.3763 4.3763 4.5371 4.5371 4.9853 4.9853 5.7527 5.7527 5.8830 5.8830 6.5198 6.5198 7.1273 7.1273 8.6944 8.6944 16.2290 16.2290 20.1518 20.1518 20.7761 20.7761 24.8382 24.8382 k = 0.6157-0.0882 0.4082 ( 718 PWs) bands (ev): -6.8693 -6.8693 4.4219 4.4219 4.5378 4.5378 5.0192 5.0192 5.7538 5.7538 5.8911 5.8911 6.4821 6.4821 7.1355 7.1355 8.6261 8.6261 16.1246 16.1246 20.2470 20.2470 20.7836 20.7836 24.8893 24.8893 k = 0.6111-0.0962 0.4082 ( 716 PWs) bands (ev): -6.8711 -6.8711 4.4659 4.4659 4.5393 4.5393 5.0542 5.0542 5.7554 5.7554 5.9001 5.9001 6.4456 6.4456 7.1441 7.1441 8.5577 8.5577 16.0215 16.0215 20.3397 20.3397 20.7914 20.7914 24.9402 24.9402 k = 0.6065-0.1042 0.4082 ( 714 PWs) bands (ev): -6.8733 -6.8733 4.5067 4.5067 4.5426 4.5426 5.0900 5.0900 5.7576 5.7576 5.9100 5.9100 6.4103 6.4103 7.1531 7.1531 8.4893 8.4893 15.9198 15.9198 20.4297 20.4297 20.7996 20.7996 24.9907 24.9907 k = 0.6019-0.1123 0.4082 ( 714 PWs) bands (ev): -6.8757 -6.8757 4.5334 4.5334 4.5584 4.5584 5.1266 5.1266 5.7602 5.7602 5.9208 5.9208 6.3764 6.3764 7.1625 7.1625 8.4210 8.4210 15.8197 15.8197 20.5169 20.5169 20.8079 20.8079 25.0405 25.0405 k = 0.5972-0.1203 0.4082 ( 714 PWs) bands (ev): -6.8785 -6.8785 4.5396 4.5396 4.5927 4.5927 5.1640 5.1640 5.7632 5.7632 5.9326 5.9326 6.3438 6.3438 7.1724 7.1724 8.3531 8.3531 15.7213 15.7213 20.6011 20.6011 20.8164 20.8164 25.0894 25.0894 k = 0.5926-0.1283 0.4082 ( 716 PWs) bands (ev): -6.8814 -6.8814 4.5426 4.5426 4.6278 4.6278 5.2020 5.2020 5.7664 5.7664 5.9455 5.9455 6.3129 6.3129 7.1828 7.1828 8.2856 8.2856 15.6248 15.6248 20.6816 20.6816 20.8254 20.8254 25.1373 25.1373 k = 0.5880-0.1363 0.4082 ( 716 PWs) bands (ev): -6.8845 -6.8845 4.5453 4.5453 4.6610 4.6610 5.2405 5.2405 5.7697 5.7697 5.9595 5.9595 6.2838 6.2838 7.1936 7.1936 8.2187 8.2187 15.5304 15.5304 20.7578 20.7578 20.8354 20.8354 25.1840 25.1840 k = 0.5833-0.1443 0.4082 ( 720 PWs) bands (ev): -6.8878 -6.8878 4.5480 4.5480 4.6916 4.6916 5.2791 5.2791 5.7729 5.7729 5.9744 5.9744 6.2566 6.2566 7.2048 7.2048 8.1525 8.1525 15.4383 15.4383 20.8211 20.8211 20.8549 20.8549 25.2293 25.2293 k = 0.5787-0.1524 0.4082 ( 720 PWs) bands (ev): -6.8911 -6.8911 4.5510 4.5510 4.7196 4.7196 5.3180 5.3180 5.7759 5.7759 5.9900 5.9900 6.2319 6.2319 7.2165 7.2165 8.0872 8.0872 15.3488 15.3488 20.8432 20.8432 20.9118 20.9118 25.2730 25.2730 k = 0.5741-0.1604 0.4082 ( 720 PWs) bands (ev): -6.8945 -6.8945 4.5540 4.5540 4.7448 4.7448 5.3569 5.3569 5.7784 5.7784 6.0057 6.0057 6.2101 6.2101 7.2287 7.2287 8.0231 8.0231 15.2621 15.2621 20.8531 20.8531 20.9771 20.9771 25.3149 25.3149 k = 0.5694-0.1684 0.4082 ( 716 PWs) bands (ev): -6.8978 -6.8978 4.5572 4.5572 4.7676 4.7676 5.3956 5.3956 5.7805 5.7805 6.0208 6.0208 6.1920 6.1920 7.2412 7.2412 7.9603 7.9603 15.1785 15.1785 20.8614 20.8614 21.0399 21.0399 25.3549 25.3549 k = 0.5648-0.1764 0.4082 ( 720 PWs) bands (ev): -6.9012 -6.9012 4.5604 4.5604 4.7875 4.7875 5.4338 5.4338 5.7817 5.7817 6.0335 6.0335 6.1786 6.1786 7.2540 7.2540 7.8990 7.8990 15.0982 15.0982 20.8690 20.8690 21.0992 21.0992 25.3926 25.3926 k = 0.5602-0.1844 0.4082 ( 720 PWs) bands (ev): -6.9044 -6.9044 4.5637 4.5637 4.8051 4.8051 5.4714 5.4714 5.7823 5.7823 6.0426 6.0426 6.1715 6.1715 7.2671 7.2671 7.8395 7.8395 15.0216 15.0216 20.8761 20.8761 21.1546 21.1546 25.4280 25.4280 k = 0.5556-0.1925 0.4082 ( 716 PWs) bands (ev): -6.9076 -6.9076 4.5670 4.5670 4.8207 4.8207 5.5081 5.5081 5.7823 5.7823 6.0467 6.0467 6.1717 6.1717 7.2802 7.2802 7.7820 7.7820 14.9489 14.9489 20.8829 20.8829 21.2061 21.2061 25.4608 25.4608 k = 0.5509-0.2005 0.4082 ( 716 PWs) bands (ev): -6.9106 -6.9106 4.5702 4.5702 4.8340 4.8340 5.5436 5.5436 5.7815 5.7815 6.0460 6.0460 6.1784 6.1784 7.2933 7.2933 7.7269 7.7269 14.8806 14.8806 20.8892 20.8892 21.2534 21.2534 25.4907 25.4907 k = 0.5463-0.2085 0.4082 ( 716 PWs) bands (ev): -6.9134 -6.9134 4.5734 4.5734 4.8454 4.8454 5.5777 5.5777 5.7800 5.7800 6.0422 6.0422 6.1898 6.1898 7.3062 7.3062 7.6745 7.6745 14.8168 14.8168 20.8950 20.8950 21.2966 21.2966 25.5174 25.5174 k = 0.5417-0.2165 0.4082 ( 716 PWs) bands (ev): -6.9161 -6.9161 4.5764 4.5764 4.8550 4.8550 5.6099 5.6099 5.7780 5.7780 6.0372 6.0372 6.2035 6.2035 7.3187 7.3187 7.6251 7.6251 14.7579 14.7579 20.9004 20.9004 21.3357 21.3357 25.5406 25.5406 k = 0.5370-0.2245 0.4082 ( 716 PWs) bands (ev): -6.9185 -6.9185 4.5793 4.5793 4.8631 4.8631 5.6400 5.6400 5.7755 5.7755 6.0322 6.0322 6.2180 6.2180 7.3306 7.3306 7.5793 7.5793 14.7042 14.7042 20.9052 20.9052 21.3706 21.3706 25.5599 25.5599 k = 0.5324-0.2325 0.4082 ( 716 PWs) bands (ev): -6.9207 -6.9207 4.5820 4.5820 4.8698 4.8698 5.6676 5.6676 5.7728 5.7728 6.0280 6.0280 6.2321 6.2321 7.3415 7.3415 7.5374 7.5374 14.6560 14.6560 20.9096 20.9096 21.4013 21.4013 25.5750 25.5750 k = 0.5278-0.2406 0.4082 ( 716 PWs) bands (ev): -6.9227 -6.9227 4.5844 4.5844 4.8754 4.8754 5.6922 5.6922 5.7699 5.7699 6.0247 6.0247 6.2453 6.2453 7.3512 7.3512 7.5001 7.5001 14.6136 14.6136 20.9134 20.9134 21.4278 21.4278 25.5857 25.5857 k = 0.5231-0.2486 0.4082 ( 720 PWs) bands (ev): -6.9243 -6.9243 4.5865 4.5865 4.8797 4.8797 5.7133 5.7133 5.7670 5.7670 6.0224 6.0224 6.2570 6.2570 7.3592 7.3592 7.4681 7.4681 14.5773 14.5773 20.9166 20.9166 21.4502 21.4502 25.5921 25.5921 k = 0.5185-0.2566 0.4082 ( 720 PWs) bands (ev): -6.9257 -6.9257 4.5883 4.5883 4.8832 4.8832 5.7311 5.7311 5.7645 5.7645 6.0211 6.0211 6.2669 6.2669 7.3650 7.3650 7.4422 7.4422 14.5472 14.5472 20.9193 20.9193 21.4685 21.4685 25.5949 25.5949 k = 0.5139-0.2646 0.4082 ( 728 PWs) bands (ev): -6.9268 -6.9268 4.5898 4.5898 4.8856 4.8856 5.7449 5.7449 5.7621 5.7621 6.0203 6.0203 6.2748 6.2748 7.3675 7.3675 7.4235 7.4235 14.5236 14.5236 20.9214 20.9214 21.4826 21.4826 25.5953 25.5953 k = 0.5093-0.2726 0.4082 ( 728 PWs) bands (ev): -6.9276 -6.9276 4.5908 4.5908 4.8874 4.8874 5.7550 5.7550 5.7605 5.7605 6.0202 6.0202 6.2805 6.2805 7.3667 7.3667 7.4127 7.4127 14.5066 14.5066 20.9229 20.9229 21.4927 21.4927 25.5946 25.5946 k = 0.5046-0.2807 0.4082 ( 724 PWs) bands (ev): -6.9281 -6.9281 4.5914 4.5914 4.8887 4.8887 5.7595 5.7595 5.7611 5.7611 6.0203 6.0203 6.2841 6.2841 7.3642 7.3642 7.4082 7.4082 14.4964 14.4964 20.9238 20.9238 21.4987 21.4987 25.5938 25.5938 k = 0.5000-0.2887 0.4082 ( 724 PWs) bands (ev): -6.9282 -6.9282 4.5916 4.5916 4.8891 4.8891 5.7591 5.7591 5.7631 5.7631 6.0203 6.0203 6.2853 6.2853 7.3629 7.3629 7.4071 7.4071 14.4930 14.4930 20.9241 20.9241 21.5008 21.5008 25.5934 25.5934 Writing output data file ZnO.save init_run : 0.10s CPU 0.24s WALL ( 1 calls) electrons : 32.77s CPU 33.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 32.77s CPU 33.89s 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 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 490 calls) cegterg : 29.94s CPU 30.66s WALL ( 506 calls) Called by sum_band: Called by *egterg: h_psi : 13.34s CPU 13.78s WALL ( 5843 calls) s_psi : 0.53s CPU 0.52s WALL ( 5843 calls) g_psi : 0.02s CPU 0.02s WALL ( 4847 calls) cdiaghg : 15.94s CPU 16.37s WALL ( 5337 calls) cegterg:over : 0.86s CPU 0.93s WALL ( 4847 calls) cegterg:upda : 0.70s CPU 0.62s WALL ( 4847 calls) cegterg:last : 0.25s CPU 0.28s WALL ( 1088 calls) cdiaghg:chol : 0.76s CPU 0.82s WALL ( 5337 calls) cdiaghg:inve : 0.28s CPU 0.33s WALL ( 5337 calls) cdiaghg:para : 1.11s CPU 1.04s WALL ( 10674 calls) Called by h_psi: h_psi:vloc : 12.10s CPU 12.53s WALL ( 5843 calls) h_psi:vnl : 1.22s CPU 1.23s WALL ( 5843 calls) add_vuspsi : 0.64s CPU 0.67s WALL ( 5843 calls) General routines calbec : 0.58s CPU 0.54s WALL ( 5843 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.51s CPU 11.88s WALL ( 401264 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.16s WALL ( 980 calls) Parallel routines fft_scatter : 6.51s CPU 6.70s WALL ( 401287 calls) PWSCF : 40.50s CPU 56.32s WALL This run was terminated on: 21: 5: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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