Program PWSCF v.5.1.1 starts on 26Aug2015 at 6:38:43 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./CoN.save/ file Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 15 8 2 272 112 18 Max 17 9 3 275 123 23 Sum 745 421 127 13107 5673 965 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.7418 a.u. unit-cell volume = 133.8544 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.741815 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 Co read from file: /home/autes/Pseudo/Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6e843fd57bb34a371311d5dc8eddf880 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1193 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Co 9.00 58.93320 Co( 1.00) N 5.00 14.00670 N( 1.00) 6 Sym. Ops. (no 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 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 inv. 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 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 483 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 2) = ( 0.0067568 -0.0039010 0.0055169), wk = 0.0020704 k( 3) = ( 0.0135135 -0.0078020 0.0110337), wk = 0.0020704 k( 4) = ( 0.0202703 -0.0117030 0.0165506), wk = 0.0020704 k( 5) = ( 0.0270270 -0.0156041 0.0220675), wk = 0.0020704 k( 6) = ( 0.0337838 -0.0195051 0.0275843), wk = 0.0020704 k( 7) = ( 0.0405405 -0.0234061 0.0331012), wk = 0.0020704 k( 8) = ( 0.0472973 -0.0273071 0.0386181), wk = 0.0020704 k( 9) = ( 0.0540540 -0.0312081 0.0441349), wk = 0.0020704 k( 10) = ( 0.0608108 -0.0351091 0.0496518), wk = 0.0020704 k( 11) = ( 0.0675676 -0.0390102 0.0551687), wk = 0.0020704 k( 12) = ( 0.0743243 -0.0429112 0.0606856), wk = 0.0020704 k( 13) = ( 0.0810811 -0.0468122 0.0662024), wk = 0.0020704 k( 14) = ( 0.0878378 -0.0507132 0.0717193), wk = 0.0020704 k( 15) = ( 0.0945946 -0.0546142 0.0772362), wk = 0.0020704 k( 16) = ( 0.1013514 -0.0585152 0.0827530), wk = 0.0020704 k( 17) = ( 0.1081081 -0.0624162 0.0882699), wk = 0.0020704 k( 18) = ( 0.1148649 -0.0663173 0.0937868), wk = 0.0020704 k( 19) = ( 0.1216216 -0.0702183 0.0993036), wk = 0.0020704 k( 20) = ( 0.1283784 -0.0741193 0.1048205), wk = 0.0020704 k( 21) = ( 0.1351351 -0.0780203 0.1103374), wk = 0.0020704 k( 22) = ( 0.1418919 -0.0819213 0.1158542), wk = 0.0020704 k( 23) = ( 0.1486486 -0.0858223 0.1213711), wk = 0.0020704 k( 24) = ( 0.1554054 -0.0897234 0.1268880), wk = 0.0020704 k( 25) = ( 0.1621622 -0.0936244 0.1324048), wk = 0.0020704 k( 26) = ( 0.1689189 -0.0975254 0.1379217), wk = 0.0020704 k( 27) = ( 0.1756757 -0.1014264 0.1434386), wk = 0.0020704 k( 28) = ( 0.1824324 -0.1053274 0.1489555), wk = 0.0020704 k( 29) = ( 0.1891892 -0.1092284 0.1544723), wk = 0.0020704 k( 30) = ( 0.1959460 -0.1131294 0.1599892), wk = 0.0020704 k( 31) = ( 0.2027027 -0.1170305 0.1655061), wk = 0.0020704 k( 32) = ( 0.2094595 -0.1209315 0.1710229), wk = 0.0020704 k( 33) = ( 0.2162162 -0.1248325 0.1765398), wk = 0.0020704 k( 34) = ( 0.2229730 -0.1287335 0.1820567), wk = 0.0020704 k( 35) = ( 0.2297297 -0.1326345 0.1875735), wk = 0.0020704 k( 36) = ( 0.2364865 -0.1365355 0.1930904), wk = 0.0020704 k( 37) = ( 0.2432432 -0.1404366 0.1986073), wk = 0.0020704 k( 38) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0020704 k( 39) = ( 0.2567568 -0.1482386 0.2096410), wk = 0.0020704 k( 40) = ( 0.2635135 -0.1521396 0.2151579), wk = 0.0020704 k( 41) = ( 0.2702703 -0.1560406 0.2206748), wk = 0.0020704 k( 42) = ( 0.2770270 -0.1599416 0.2261916), wk = 0.0020704 k( 43) = ( 0.2837838 -0.1638426 0.2317085), wk = 0.0020704 k( 44) = ( 0.2905405 -0.1677437 0.2372254), wk = 0.0020704 k( 45) = ( 0.2972973 -0.1716447 0.2427422), wk = 0.0020704 k( 46) = ( 0.3040541 -0.1755457 0.2482591), wk = 0.0020704 k( 47) = ( 0.3108108 -0.1794467 0.2537760), wk = 0.0020704 k( 48) = ( 0.3175676 -0.1833477 0.2592928), wk = 0.0020704 k( 49) = ( 0.3243243 -0.1872487 0.2648097), wk = 0.0020704 k( 50) = ( 0.3310811 -0.1911498 0.2703266), wk = 0.0020704 k( 51) = ( 0.3378378 -0.1950508 0.2758434), wk = 0.0020704 k( 52) = ( 0.3445946 -0.1989518 0.2813603), wk = 0.0020704 k( 53) = ( 0.3513514 -0.2028528 0.2868772), wk = 0.0020704 k( 54) = ( 0.3581081 -0.2067538 0.2923940), wk = 0.0020704 k( 55) = ( 0.3648649 -0.2106548 0.2979109), wk = 0.0020704 k( 56) = ( 0.3716216 -0.2145558 0.3034278), wk = 0.0020704 k( 57) = ( 0.3783784 -0.2184569 0.3089447), wk = 0.0020704 k( 58) = ( 0.3851351 -0.2223579 0.3144615), wk = 0.0020704 k( 59) = ( 0.3918919 -0.2262589 0.3199784), wk = 0.0020704 k( 60) = ( 0.3986486 -0.2301599 0.3254953), wk = 0.0020704 k( 61) = ( 0.4054054 -0.2340609 0.3310121), wk = 0.0020704 k( 62) = ( 0.4121622 -0.2379619 0.3365290), wk = 0.0020704 k( 63) = ( 0.4189189 -0.2418630 0.3420459), wk = 0.0020704 k( 64) = ( 0.4256757 -0.2457640 0.3475627), wk = 0.0020704 k( 65) = ( 0.4324324 -0.2496650 0.3530796), wk = 0.0020704 k( 66) = ( 0.4391892 -0.2535660 0.3585965), wk = 0.0020704 k( 67) = ( 0.4459459 -0.2574670 0.3641133), wk = 0.0020704 k( 68) = ( 0.4527027 -0.2613680 0.3696302), wk = 0.0020704 k( 69) = ( 0.4594595 -0.2652690 0.3751471), wk = 0.0020704 k( 70) = ( 0.4662162 -0.2691701 0.3806639), wk = 0.0020704 k( 71) = ( 0.4729730 -0.2730711 0.3861808), wk = 0.0020704 k( 72) = ( 0.4797297 -0.2769721 0.3916977), wk = 0.0020704 k( 73) = ( 0.4864865 -0.2808731 0.3972146), wk = 0.0020704 k( 74) = ( 0.4932432 -0.2847741 0.4027314), wk = 0.0020704 k( 75) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020704 k( 76) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020704 k( 77) = ( 0.5000000 -0.2808731 0.4137652), wk = 0.0020704 k( 78) = ( 0.5000000 -0.2730711 0.4192820), wk = 0.0020704 k( 79) = ( 0.5000000 -0.2652690 0.4247989), wk = 0.0020704 k( 80) = ( 0.5000000 -0.2574670 0.4303158), wk = 0.0020704 k( 81) = ( 0.5000000 -0.2496650 0.4358326), wk = 0.0020704 k( 82) = ( 0.5000000 -0.2418630 0.4413495), wk = 0.0020704 k( 83) = ( 0.5000000 -0.2340609 0.4468664), wk = 0.0020704 k( 84) = ( 0.5000000 -0.2262589 0.4523832), wk = 0.0020704 k( 85) = ( 0.5000000 -0.2184569 0.4579001), wk = 0.0020704 k( 86) = ( 0.5000000 -0.2106548 0.4634170), wk = 0.0020704 k( 87) = ( 0.5000000 -0.2028528 0.4689338), wk = 0.0020704 k( 88) = ( 0.5000000 -0.1950508 0.4744507), wk = 0.0020704 k( 89) = ( 0.5000000 -0.1872487 0.4799676), wk = 0.0020704 k( 90) = ( 0.5000000 -0.1794467 0.4854844), wk = 0.0020704 k( 91) = ( 0.5000000 -0.1716447 0.4910013), wk = 0.0020704 k( 92) = ( 0.5000000 -0.1638426 0.4965182), wk = 0.0020704 k( 93) = ( 0.5000000 -0.1560406 0.5020351), wk = 0.0020704 k( 94) = ( 0.5000000 -0.1482386 0.5075519), wk = 0.0020704 k( 95) = ( 0.5000000 -0.1404366 0.5130688), wk = 0.0020704 k( 96) = ( 0.5000000 -0.1326345 0.5185857), wk = 0.0020704 k( 97) = ( 0.5000000 -0.1248325 0.5241025), wk = 0.0020704 k( 98) = ( 0.5000000 -0.1170305 0.5296194), wk = 0.0020704 k( 99) = ( 0.5000000 -0.1092284 0.5351363), wk = 0.0020704 k( 100) = ( 0.5000000 -0.1014264 0.5406531), wk = 0.0020704 k( 101) = ( 0.5000000 -0.0936244 0.5461700), wk = 0.0020704 k( 102) = ( 0.5000000 -0.0858223 0.5516869), wk = 0.0020704 k( 103) = ( 0.5000000 -0.0780203 0.5572037), wk = 0.0020704 k( 104) = ( 0.5000000 -0.0702183 0.5627206), wk = 0.0020704 k( 105) = ( 0.5000000 -0.0624162 0.5682375), wk = 0.0020704 k( 106) = ( 0.5000000 -0.0546142 0.5737544), wk = 0.0020704 k( 107) = ( 0.5000000 -0.0468122 0.5792712), wk = 0.0020704 k( 108) = ( 0.5000000 -0.0390101 0.5847881), wk = 0.0020704 k( 109) = ( 0.5000000 -0.0312081 0.5903050), wk = 0.0020704 k( 110) = ( 0.5000000 -0.0234061 0.5958218), wk = 0.0020704 k( 111) = ( 0.5000000 -0.0156041 0.6013387), wk = 0.0020704 k( 112) = ( 0.5000000 -0.0078020 0.6068556), wk = 0.0020704 k( 113) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020704 k( 114) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020704 k( 115) = ( 0.4951923 0.0083272 0.6123724), wk = 0.0020704 k( 116) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0020704 k( 117) = ( 0.4855769 0.0249815 0.6123724), wk = 0.0020704 k( 118) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0020704 k( 119) = ( 0.4759615 0.0416358 0.6123724), wk = 0.0020704 k( 120) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0020704 k( 121) = ( 0.4663462 0.0582902 0.6123724), wk = 0.0020704 k( 122) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0020704 k( 123) = ( 0.4567308 0.0749445 0.6123724), wk = 0.0020704 k( 124) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0020704 k( 125) = ( 0.4471154 0.0915988 0.6123724), wk = 0.0020704 k( 126) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0020704 k( 127) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0020704 k( 128) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0020704 k( 129) = ( 0.4278846 0.1249075 0.6123724), wk = 0.0020704 k( 130) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0020704 k( 131) = ( 0.4182692 0.1415618 0.6123724), wk = 0.0020704 k( 132) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0020704 k( 133) = ( 0.4086538 0.1582162 0.6123724), wk = 0.0020704 k( 134) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0020704 k( 135) = ( 0.3990385 0.1748705 0.6123724), wk = 0.0020704 k( 136) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0020704 k( 137) = ( 0.3894231 0.1915248 0.6123724), wk = 0.0020704 k( 138) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0020704 k( 139) = ( 0.3798077 0.2081792 0.6123724), wk = 0.0020704 k( 140) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020704 k( 141) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020704 k( 142) = ( 0.3701923 0.2137306 0.6045215), wk = 0.0020704 k( 143) = ( 0.3653846 0.2109549 0.5966706), wk = 0.0020704 k( 144) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0020704 k( 145) = ( 0.3557692 0.2054035 0.5809687), wk = 0.0020704 k( 146) = ( 0.3509615 0.2026277 0.5731178), wk = 0.0020704 k( 147) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0020704 k( 148) = ( 0.3413462 0.1970763 0.5574159), wk = 0.0020704 k( 149) = ( 0.3365385 0.1943006 0.5495650), wk = 0.0020704 k( 150) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0020704 k( 151) = ( 0.3269231 0.1887491 0.5338631), wk = 0.0020704 k( 152) = ( 0.3221154 0.1859734 0.5260122), wk = 0.0020704 k( 153) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0020704 k( 154) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0020704 k( 155) = ( 0.3076923 0.1776462 0.5024594), wk = 0.0020704 k( 156) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0020704 k( 157) = ( 0.2980769 0.1720948 0.4867576), wk = 0.0020704 k( 158) = ( 0.2932692 0.1693191 0.4789066), wk = 0.0020704 k( 159) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0020704 k( 160) = ( 0.2836538 0.1637676 0.4632048), wk = 0.0020704 k( 161) = ( 0.2788462 0.1609919 0.4553539), wk = 0.0020704 k( 162) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0020704 k( 163) = ( 0.2692308 0.1554405 0.4396520), wk = 0.0020704 k( 164) = ( 0.2644231 0.1526647 0.4318011), wk = 0.0020704 k( 165) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0020704 k( 166) = ( 0.2548077 0.1471133 0.4160992), wk = 0.0020704 k( 167) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0020704 k( 168) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0020704 k( 169) = ( 0.2403846 0.1387861 0.3925464), wk = 0.0020704 k( 170) = ( 0.2355769 0.1360104 0.3846955), wk = 0.0020704 k( 171) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0020704 k( 172) = ( 0.2259615 0.1304590 0.3689936), wk = 0.0020704 k( 173) = ( 0.2211539 0.1276832 0.3611427), wk = 0.0020704 k( 174) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0020704 k( 175) = ( 0.2115385 0.1221318 0.3454409), wk = 0.0020704 k( 176) = ( 0.2067308 0.1193561 0.3375899), wk = 0.0020704 k( 177) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0020704 k( 178) = ( 0.1971154 0.1138046 0.3218881), wk = 0.0020704 k( 179) = ( 0.1923077 0.1110289 0.3140371), wk = 0.0020704 k( 180) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0020704 k( 181) = ( 0.1826923 0.1054775 0.2983353), wk = 0.0020704 k( 182) = ( 0.1778846 0.1027017 0.2904844), wk = 0.0020704 k( 183) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0020704 k( 184) = ( 0.1682692 0.0971503 0.2747825), wk = 0.0020704 k( 185) = ( 0.1634615 0.0943746 0.2669316), wk = 0.0020704 k( 186) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0020704 k( 187) = ( 0.1538461 0.0888231 0.2512297), wk = 0.0020704 k( 188) = ( 0.1490385 0.0860474 0.2433788), wk = 0.0020704 k( 189) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0020704 k( 190) = ( 0.1394231 0.0804960 0.2276769), wk = 0.0020704 k( 191) = ( 0.1346154 0.0777202 0.2198260), wk = 0.0020704 k( 192) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0020704 k( 193) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0020704 k( 194) = ( 0.1201923 0.0693931 0.1962732), wk = 0.0020704 k( 195) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0020704 k( 196) = ( 0.1105769 0.0638416 0.1805714), wk = 0.0020704 k( 197) = ( 0.1057692 0.0610659 0.1727204), wk = 0.0020704 k( 198) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0020704 k( 199) = ( 0.0961538 0.0555145 0.1570186), wk = 0.0020704 k( 200) = ( 0.0913462 0.0527387 0.1491677), wk = 0.0020704 k( 201) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0020704 k( 202) = ( 0.0817308 0.0471873 0.1334658), wk = 0.0020704 k( 203) = ( 0.0769231 0.0444116 0.1256149), wk = 0.0020704 k( 204) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0020704 k( 205) = ( 0.0673077 0.0388601 0.1099130), wk = 0.0020704 k( 206) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0020704 k( 207) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0020704 k( 208) = ( 0.0528846 0.0305329 0.0863602), wk = 0.0020704 k( 209) = ( 0.0480769 0.0277572 0.0785093), wk = 0.0020704 k( 210) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0020704 k( 211) = ( 0.0384615 0.0222058 0.0628074), wk = 0.0020704 k( 212) = ( 0.0336538 0.0194301 0.0549565), wk = 0.0020704 k( 213) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0020704 k( 214) = ( 0.0240385 0.0138786 0.0392546), wk = 0.0020704 k( 215) = ( 0.0192308 0.0111029 0.0314037), wk = 0.0020704 k( 216) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0020704 k( 217) = ( 0.0096154 0.0055514 0.0157019), wk = 0.0020704 k( 218) = ( 0.0048077 0.0027757 0.0078509), wk = 0.0020704 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 221) = ( 0.0078125 0.0045105 0.0031894), wk = 0.0020704 k( 222) = ( 0.0156250 0.0090211 0.0063789), wk = 0.0020704 k( 223) = ( 0.0234375 0.0135316 0.0095683), wk = 0.0020704 k( 224) = ( 0.0312500 0.0180422 0.0127578), wk = 0.0020704 k( 225) = ( 0.0390625 0.0225527 0.0159472), wk = 0.0020704 k( 226) = ( 0.0468750 0.0270633 0.0191366), wk = 0.0020704 k( 227) = ( 0.0546875 0.0315738 0.0223261), wk = 0.0020704 k( 228) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0020704 k( 229) = ( 0.0703125 0.0405949 0.0287050), wk = 0.0020704 k( 230) = ( 0.0781250 0.0451055 0.0318944), wk = 0.0020704 k( 231) = ( 0.0859375 0.0496160 0.0350838), wk = 0.0020704 k( 232) = ( 0.0937500 0.0541266 0.0382733), wk = 0.0020704 k( 233) = ( 0.1015625 0.0586371 0.0414627), wk = 0.0020704 k( 234) = ( 0.1093750 0.0631477 0.0446522), wk = 0.0020704 k( 235) = ( 0.1171875 0.0676582 0.0478416), wk = 0.0020704 k( 236) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0020704 k( 237) = ( 0.1328125 0.0766793 0.0542205), wk = 0.0020704 k( 238) = ( 0.1406250 0.0811899 0.0574099), wk = 0.0020704 k( 239) = ( 0.1484375 0.0857004 0.0605994), wk = 0.0020704 k( 240) = ( 0.1562500 0.0902110 0.0637888), wk = 0.0020704 k( 241) = ( 0.1640625 0.0947215 0.0669782), wk = 0.0020704 k( 242) = ( 0.1718750 0.0992321 0.0701677), wk = 0.0020704 k( 243) = ( 0.1796875 0.1037426 0.0733571), wk = 0.0020704 k( 244) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0020704 k( 245) = ( 0.1953125 0.1127637 0.0797360), wk = 0.0020704 k( 246) = ( 0.2031250 0.1172743 0.0829254), wk = 0.0020704 k( 247) = ( 0.2109375 0.1217848 0.0861149), wk = 0.0020704 k( 248) = ( 0.2187500 0.1262954 0.0893043), wk = 0.0020704 k( 249) = ( 0.2265625 0.1308059 0.0924938), wk = 0.0020704 k( 250) = ( 0.2343750 0.1353165 0.0956832), wk = 0.0020704 k( 251) = ( 0.2421875 0.1398270 0.0988726), wk = 0.0020704 k( 252) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0020704 k( 253) = ( 0.2578125 0.1488481 0.1052515), wk = 0.0020704 k( 254) = ( 0.2656250 0.1533587 0.1084410), wk = 0.0020704 k( 255) = ( 0.2734375 0.1578692 0.1116304), wk = 0.0020704 k( 256) = ( 0.2812500 0.1623798 0.1148198), wk = 0.0020704 k( 257) = ( 0.2890625 0.1668903 0.1180093), wk = 0.0020704 k( 258) = ( 0.2968750 0.1714009 0.1211987), wk = 0.0020704 k( 259) = ( 0.3046875 0.1759114 0.1243882), wk = 0.0020704 k( 260) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0020704 k( 261) = ( 0.3203125 0.1849325 0.1307670), wk = 0.0020704 k( 262) = ( 0.3281250 0.1894431 0.1339565), wk = 0.0020704 k( 263) = ( 0.3359375 0.1939536 0.1371459), wk = 0.0020704 k( 264) = ( 0.3437500 0.1984642 0.1403353), wk = 0.0020704 k( 265) = ( 0.3515625 0.2029747 0.1435248), wk = 0.0020704 k( 266) = ( 0.3593750 0.2074853 0.1467142), wk = 0.0020704 k( 267) = ( 0.3671875 0.2119958 0.1499037), wk = 0.0020704 k( 268) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0020704 k( 269) = ( 0.3828125 0.2210169 0.1562825), wk = 0.0020704 k( 270) = ( 0.3906250 0.2255274 0.1594720), wk = 0.0020704 k( 271) = ( 0.3984375 0.2300380 0.1626614), wk = 0.0020704 k( 272) = ( 0.4062500 0.2345485 0.1658509), wk = 0.0020704 k( 273) = ( 0.4140625 0.2390591 0.1690403), wk = 0.0020704 k( 274) = ( 0.4218750 0.2435696 0.1722297), wk = 0.0020704 k( 275) = ( 0.4296875 0.2480802 0.1754192), wk = 0.0020704 k( 276) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0020704 k( 277) = ( 0.4453125 0.2571013 0.1817981), wk = 0.0020704 k( 278) = ( 0.4531250 0.2616118 0.1849875), wk = 0.0020704 k( 279) = ( 0.4609375 0.2661224 0.1881769), wk = 0.0020704 k( 280) = ( 0.4687500 0.2706329 0.1913664), wk = 0.0020704 k( 281) = ( 0.4765625 0.2751435 0.1945558), wk = 0.0020704 k( 282) = ( 0.4843750 0.2796540 0.1977453), wk = 0.0020704 k( 283) = ( 0.4921875 0.2841646 0.2009347), wk = 0.0020704 k( 284) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020704 k( 285) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020704 k( 286) = ( 0.5027778 0.2806564 0.2086602), wk = 0.0020704 k( 287) = ( 0.5055556 0.2726376 0.2131963), wk = 0.0020704 k( 288) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0020704 k( 289) = ( 0.5111111 0.2566001 0.2222685), wk = 0.0020704 k( 290) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0020704 k( 291) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0020704 k( 292) = ( 0.5194444 0.2325439 0.2358768), wk = 0.0020704 k( 293) = ( 0.5222222 0.2245251 0.2404129), wk = 0.0020704 k( 294) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0020704 k( 295) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0020704 k( 296) = ( 0.5305556 0.2004688 0.2540212), wk = 0.0020704 k( 297) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0020704 k( 298) = ( 0.5361111 0.1844313 0.2630933), wk = 0.0020704 k( 299) = ( 0.5388889 0.1764126 0.2676294), wk = 0.0020704 k( 300) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0020704 k( 301) = ( 0.5444444 0.1603751 0.2767016), wk = 0.0020704 k( 302) = ( 0.5472222 0.1523563 0.2812377), wk = 0.0020704 k( 303) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0020704 k( 304) = ( 0.5527778 0.1363188 0.2903099), wk = 0.0020704 k( 305) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0020704 k( 306) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0020704 k( 307) = ( 0.5611111 0.1122626 0.3039182), wk = 0.0020704 k( 308) = ( 0.5638889 0.1042438 0.3084543), wk = 0.0020704 k( 309) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0020704 k( 310) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0020704 k( 311) = ( 0.5722222 0.0801875 0.3220625), wk = 0.0020704 k( 312) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0020704 k( 313) = ( 0.5777778 0.0641500 0.3311347), wk = 0.0020704 k( 314) = ( 0.5805556 0.0561313 0.3356708), wk = 0.0020704 k( 315) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0020704 k( 316) = ( 0.5861111 0.0400938 0.3447430), wk = 0.0020704 k( 317) = ( 0.5888889 0.0320750 0.3492791), wk = 0.0020704 k( 318) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0020704 k( 319) = ( 0.5944444 0.0160375 0.3583513), wk = 0.0020704 k( 320) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0020704 k( 321) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0020704 k( 322) = ( 0.6027778 -0.0080188 0.3719596), wk = 0.0020704 k( 323) = ( 0.6055556 -0.0160375 0.3764956), wk = 0.0020704 k( 324) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0020704 k( 325) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0020704 k( 326) = ( 0.6138889 -0.0400938 0.3901039), wk = 0.0020704 k( 327) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0020704 k( 328) = ( 0.6194444 -0.0561313 0.3991761), wk = 0.0020704 k( 329) = ( 0.6222222 -0.0641500 0.4037122), wk = 0.0020704 k( 330) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020704 k( 331) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020704 k( 332) = ( 0.6201923 -0.0693931 0.4160992), wk = 0.0020704 k( 333) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0020704 k( 334) = ( 0.6105769 -0.0638416 0.4318011), wk = 0.0020704 k( 335) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0020704 k( 336) = ( 0.6009615 -0.0582902 0.4475029), wk = 0.0020704 k( 337) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0020704 k( 338) = ( 0.5913462 -0.0527387 0.4632048), wk = 0.0020704 k( 339) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0020704 k( 340) = ( 0.5817308 -0.0471873 0.4789066), wk = 0.0020704 k( 341) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0020704 k( 342) = ( 0.5721154 -0.0416358 0.4946085), wk = 0.0020704 k( 343) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0020704 k( 344) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0020704 k( 345) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0020704 k( 346) = ( 0.5528846 -0.0305329 0.5260122), wk = 0.0020704 k( 347) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0020704 k( 348) = ( 0.5432692 -0.0249815 0.5417141), wk = 0.0020704 k( 349) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0020704 k( 350) = ( 0.5336538 -0.0194301 0.5574159), wk = 0.0020704 k( 351) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0020704 k( 352) = ( 0.5240385 -0.0138786 0.5731178), wk = 0.0020704 k( 353) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0020704 k( 354) = ( 0.5144231 -0.0083272 0.5888196), wk = 0.0020704 k( 355) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0020704 k( 356) = ( 0.5048077 -0.0027757 0.6045215), wk = 0.0020704 k( 357) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020704 k( 358) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020704 k( 359) = ( 0.5000000 0.0055514 0.6045215), wk = 0.0020704 k( 360) = ( 0.5000000 0.0111029 0.5966706), wk = 0.0020704 k( 361) = ( 0.5000000 0.0166543 0.5888196), wk = 0.0020704 k( 362) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0020704 k( 363) = ( 0.5000000 0.0277572 0.5731178), wk = 0.0020704 k( 364) = ( 0.5000000 0.0333087 0.5652669), wk = 0.0020704 k( 365) = ( 0.5000000 0.0388601 0.5574159), wk = 0.0020704 k( 366) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0020704 k( 367) = ( 0.5000000 0.0499630 0.5417141), wk = 0.0020704 k( 368) = ( 0.5000000 0.0555144 0.5338632), wk = 0.0020704 k( 369) = ( 0.5000000 0.0610659 0.5260122), wk = 0.0020704 k( 370) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0020704 k( 371) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0020704 k( 372) = ( 0.5000000 0.0777202 0.5024594), wk = 0.0020704 k( 373) = ( 0.5000000 0.0832717 0.4946085), wk = 0.0020704 k( 374) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0020704 k( 375) = ( 0.5000000 0.0943746 0.4789066), wk = 0.0020704 k( 376) = ( 0.5000000 0.0999260 0.4710557), wk = 0.0020704 k( 377) = ( 0.5000000 0.1054774 0.4632048), wk = 0.0020704 k( 378) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0020704 k( 379) = ( 0.5000000 0.1165803 0.4475029), wk = 0.0020704 k( 380) = ( 0.5000000 0.1221318 0.4396520), wk = 0.0020704 k( 381) = ( 0.5000000 0.1276832 0.4318011), wk = 0.0020704 k( 382) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0020704 k( 383) = ( 0.5000000 0.1387861 0.4160992), wk = 0.0020704 k( 384) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0020704 k( 385) = ( 0.5000000 0.1498890 0.4003974), wk = 0.0020704 k( 386) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0020704 k( 387) = ( 0.5000000 0.1609919 0.3846955), wk = 0.0020704 k( 388) = ( 0.5000000 0.1665433 0.3768446), wk = 0.0020704 k( 389) = ( 0.5000000 0.1720948 0.3689936), wk = 0.0020704 k( 390) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0020704 k( 391) = ( 0.5000000 0.1831977 0.3532918), wk = 0.0020704 k( 392) = ( 0.5000000 0.1887491 0.3454409), wk = 0.0020704 k( 393) = ( 0.5000000 0.1943006 0.3375899), wk = 0.0020704 k( 394) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0020704 k( 395) = ( 0.5000000 0.2054035 0.3218881), wk = 0.0020704 k( 396) = ( 0.5000000 0.2109549 0.3140371), wk = 0.0020704 k( 397) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0020704 k( 398) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0020704 k( 399) = ( 0.5000000 0.2276092 0.2904844), wk = 0.0020704 k( 400) = ( 0.5000000 0.2331607 0.2826334), wk = 0.0020704 k( 401) = ( 0.5000000 0.2387121 0.2747825), wk = 0.0020704 k( 402) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0020704 k( 403) = ( 0.5000000 0.2498150 0.2590807), wk = 0.0020704 k( 404) = ( 0.5000000 0.2553665 0.2512297), wk = 0.0020704 k( 405) = ( 0.5000000 0.2609179 0.2433788), wk = 0.0020704 k( 406) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0020704 k( 407) = ( 0.5000000 0.2720208 0.2276769), wk = 0.0020704 k( 408) = ( 0.5000000 0.2775723 0.2198260), wk = 0.0020704 k( 409) = ( 0.5000000 0.2831237 0.2119751), wk = 0.0020704 k( 410) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020704 k( 411) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020704 k( 412) = ( 0.4972222 0.2870714 0.2131963), wk = 0.0020704 k( 413) = ( 0.4944444 0.2854676 0.2222685), wk = 0.0020704 k( 414) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0020704 k( 415) = ( 0.4888889 0.2822601 0.2404129), wk = 0.0020704 k( 416) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0020704 k( 417) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0020704 k( 418) = ( 0.4805556 0.2774489 0.2676294), wk = 0.0020704 k( 419) = ( 0.4777778 0.2758451 0.2767016), wk = 0.0020704 k( 420) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0020704 k( 421) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0020704 k( 422) = ( 0.4694444 0.2710339 0.3039182), wk = 0.0020704 k( 423) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0020704 k( 424) = ( 0.4638889 0.2678264 0.3220625), wk = 0.0020704 k( 425) = ( 0.4611111 0.2662226 0.3311347), wk = 0.0020704 k( 426) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0020704 k( 427) = ( 0.4555556 0.2630151 0.3492791), wk = 0.0020704 k( 428) = ( 0.4527778 0.2614114 0.3583513), wk = 0.0020704 k( 429) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0020704 k( 430) = ( 0.4472222 0.2582039 0.3764957), wk = 0.0020704 k( 431) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0020704 k( 432) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0020704 k( 433) = ( 0.4388889 0.2533926 0.4037122), wk = 0.0020704 k( 434) = ( 0.4361111 0.2517889 0.4127844), wk = 0.0020704 k( 435) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0020704 k( 436) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0020704 k( 437) = ( 0.4277778 0.2469776 0.4400009), wk = 0.0020704 k( 438) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0020704 k( 439) = ( 0.4222222 0.2437701 0.4581453), wk = 0.0020704 k( 440) = ( 0.4194444 0.2421664 0.4672175), wk = 0.0020704 k( 441) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0020704 k( 442) = ( 0.4138889 0.2389589 0.4853619), wk = 0.0020704 k( 443) = ( 0.4111111 0.2373551 0.4944340), wk = 0.0020704 k( 444) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0020704 k( 445) = ( 0.4055556 0.2341476 0.5125784), wk = 0.0020704 k( 446) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0020704 k( 447) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0020704 k( 448) = ( 0.3972222 0.2293364 0.5397950), wk = 0.0020704 k( 449) = ( 0.3944444 0.2277326 0.5488671), wk = 0.0020704 k( 450) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0020704 k( 451) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0020704 k( 452) = ( 0.3861111 0.2229214 0.5760837), wk = 0.0020704 k( 453) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0020704 k( 454) = ( 0.3805556 0.2197139 0.5942281), wk = 0.0020704 k( 455) = ( 0.3777778 0.2181101 0.6033002), wk = 0.0020704 k( 456) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020704 k( 457) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020704 k( 458) = ( 0.6201923 -0.0804959 0.4082483), wk = 0.0020704 k( 459) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0020704 k( 460) = ( 0.6105769 -0.0971503 0.4082483), wk = 0.0020704 k( 461) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0020704 k( 462) = ( 0.6009615 -0.1138046 0.4082483), wk = 0.0020704 k( 463) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0020704 k( 464) = ( 0.5913462 -0.1304590 0.4082483), wk = 0.0020704 k( 465) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0020704 k( 466) = ( 0.5817308 -0.1471133 0.4082483), wk = 0.0020704 k( 467) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0020704 k( 468) = ( 0.5721154 -0.1637676 0.4082483), wk = 0.0020704 k( 469) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0020704 k( 470) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0020704 k( 471) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0020704 k( 472) = ( 0.5528846 -0.1970763 0.4082483), wk = 0.0020704 k( 473) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0020704 k( 474) = ( 0.5432692 -0.2137306 0.4082483), wk = 0.0020704 k( 475) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0020704 k( 476) = ( 0.5336538 -0.2303850 0.4082483), wk = 0.0020704 k( 477) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0020704 k( 478) = ( 0.5240385 -0.2470393 0.4082483), wk = 0.0020704 k( 479) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0020704 k( 480) = ( 0.5144231 -0.2636936 0.4082483), wk = 0.0020704 k( 481) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0020704 k( 482) = ( 0.5048077 -0.2803480 0.4082483), wk = 0.0020704 k( 483) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020704 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 2) = ( 0.0067568 0.0000000 0.0067568), wk = 0.0020704 k( 3) = ( 0.0135135 0.0000000 0.0135135), wk = 0.0020704 k( 4) = ( 0.0202703 0.0000000 0.0202703), wk = 0.0020704 k( 5) = ( 0.0270270 0.0000000 0.0270270), wk = 0.0020704 k( 6) = ( 0.0337838 0.0000000 0.0337838), wk = 0.0020704 k( 7) = ( 0.0405405 0.0000000 0.0405405), wk = 0.0020704 k( 8) = ( 0.0472973 0.0000000 0.0472973), wk = 0.0020704 k( 9) = ( 0.0540540 0.0000000 0.0540540), wk = 0.0020704 k( 10) = ( 0.0608108 0.0000000 0.0608108), wk = 0.0020704 k( 11) = ( 0.0675676 0.0000000 0.0675676), wk = 0.0020704 k( 12) = ( 0.0743243 0.0000000 0.0743243), wk = 0.0020704 k( 13) = ( 0.0810811 0.0000000 0.0810811), wk = 0.0020704 k( 14) = ( 0.0878378 0.0000000 0.0878378), wk = 0.0020704 k( 15) = ( 0.0945946 0.0000000 0.0945946), wk = 0.0020704 k( 16) = ( 0.1013514 0.0000000 0.1013514), wk = 0.0020704 k( 17) = ( 0.1081081 0.0000000 0.1081081), wk = 0.0020704 k( 18) = ( 0.1148649 0.0000000 0.1148649), wk = 0.0020704 k( 19) = ( 0.1216216 0.0000000 0.1216216), wk = 0.0020704 k( 20) = ( 0.1283784 0.0000000 0.1283784), wk = 0.0020704 k( 21) = ( 0.1351351 0.0000000 0.1351351), wk = 0.0020704 k( 22) = ( 0.1418919 0.0000000 0.1418919), wk = 0.0020704 k( 23) = ( 0.1486486 0.0000000 0.1486486), wk = 0.0020704 k( 24) = ( 0.1554054 0.0000000 0.1554054), wk = 0.0020704 k( 25) = ( 0.1621622 0.0000000 0.1621622), wk = 0.0020704 k( 26) = ( 0.1689189 0.0000000 0.1689189), wk = 0.0020704 k( 27) = ( 0.1756757 0.0000000 0.1756757), wk = 0.0020704 k( 28) = ( 0.1824324 0.0000000 0.1824324), wk = 0.0020704 k( 29) = ( 0.1891892 0.0000000 0.1891892), wk = 0.0020704 k( 30) = ( 0.1959460 0.0000000 0.1959459), wk = 0.0020704 k( 31) = ( 0.2027027 0.0000000 0.2027027), wk = 0.0020704 k( 32) = ( 0.2094595 0.0000000 0.2094595), wk = 0.0020704 k( 33) = ( 0.2162162 0.0000000 0.2162162), wk = 0.0020704 k( 34) = ( 0.2229730 0.0000000 0.2229730), wk = 0.0020704 k( 35) = ( 0.2297297 0.0000000 0.2297297), wk = 0.0020704 k( 36) = ( 0.2364865 -0.0000000 0.2364865), wk = 0.0020704 k( 37) = ( 0.2432432 0.0000000 0.2432432), wk = 0.0020704 k( 38) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0020704 k( 39) = ( 0.2567568 0.0000000 0.2567568), wk = 0.0020704 k( 40) = ( 0.2635135 0.0000000 0.2635135), wk = 0.0020704 k( 41) = ( 0.2702703 0.0000000 0.2702703), wk = 0.0020704 k( 42) = ( 0.2770270 0.0000000 0.2770270), wk = 0.0020704 k( 43) = ( 0.2837838 0.0000000 0.2837838), wk = 0.0020704 k( 44) = ( 0.2905405 0.0000000 0.2905405), wk = 0.0020704 k( 45) = ( 0.2972973 0.0000000 0.2972973), wk = 0.0020704 k( 46) = ( 0.3040541 0.0000000 0.3040541), wk = 0.0020704 k( 47) = ( 0.3108108 0.0000000 0.3108108), wk = 0.0020704 k( 48) = ( 0.3175676 0.0000000 0.3175676), wk = 0.0020704 k( 49) = ( 0.3243243 0.0000000 0.3243243), wk = 0.0020704 k( 50) = ( 0.3310811 0.0000000 0.3310811), wk = 0.0020704 k( 51) = ( 0.3378378 0.0000000 0.3378378), wk = 0.0020704 k( 52) = ( 0.3445946 0.0000000 0.3445946), wk = 0.0020704 k( 53) = ( 0.3513514 0.0000000 0.3513514), wk = 0.0020704 k( 54) = ( 0.3581081 0.0000000 0.3581081), wk = 0.0020704 k( 55) = ( 0.3648649 0.0000000 0.3648649), wk = 0.0020704 k( 56) = ( 0.3716216 0.0000000 0.3716216), wk = 0.0020704 k( 57) = ( 0.3783784 0.0000000 0.3783784), wk = 0.0020704 k( 58) = ( 0.3851351 0.0000000 0.3851351), wk = 0.0020704 k( 59) = ( 0.3918919 -0.0000000 0.3918919), wk = 0.0020704 k( 60) = ( 0.3986486 0.0000000 0.3986486), wk = 0.0020704 k( 61) = ( 0.4054054 0.0000000 0.4054054), wk = 0.0020704 k( 62) = ( 0.4121622 0.0000000 0.4121622), wk = 0.0020704 k( 63) = ( 0.4189189 0.0000000 0.4189189), wk = 0.0020704 k( 64) = ( 0.4256757 0.0000000 0.4256757), wk = 0.0020704 k( 65) = ( 0.4324324 0.0000000 0.4324324), wk = 0.0020704 k( 66) = ( 0.4391892 -0.0000000 0.4391892), wk = 0.0020704 k( 67) = ( 0.4459459 0.0000000 0.4459459), wk = 0.0020704 k( 68) = ( 0.4527027 0.0000000 0.4527027), wk = 0.0020704 k( 69) = ( 0.4594595 0.0000000 0.4594595), wk = 0.0020704 k( 70) = ( 0.4662162 0.0000000 0.4662162), wk = 0.0020704 k( 71) = ( 0.4729730 0.0000000 0.4729730), wk = 0.0020704 k( 72) = ( 0.4797297 -0.0000000 0.4797297), wk = 0.0020704 k( 73) = ( 0.4864865 0.0000000 0.4864865), wk = 0.0020704 k( 74) = ( 0.4932432 0.0000000 0.4932432), wk = 0.0020704 k( 75) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020704 k( 76) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020704 k( 77) = ( 0.5000000 0.0067568 0.5067568), wk = 0.0020704 k( 78) = ( 0.5000000 0.0135135 0.5135135), wk = 0.0020704 k( 79) = ( 0.5000000 0.0202703 0.5202703), wk = 0.0020704 k( 80) = ( 0.5000000 0.0270270 0.5270270), wk = 0.0020704 k( 81) = ( 0.5000000 0.0337838 0.5337838), wk = 0.0020704 k( 82) = ( 0.5000000 0.0405405 0.5405405), wk = 0.0020704 k( 83) = ( 0.5000000 0.0472973 0.5472973), wk = 0.0020704 k( 84) = ( 0.5000000 0.0540540 0.5540540), wk = 0.0020704 k( 85) = ( 0.5000000 0.0608108 0.5608108), wk = 0.0020704 k( 86) = ( 0.5000000 0.0675676 0.5675676), wk = 0.0020704 k( 87) = ( 0.5000000 0.0743243 0.5743243), wk = 0.0020704 k( 88) = ( 0.5000000 0.0810811 0.5810811), wk = 0.0020704 k( 89) = ( 0.5000000 0.0878378 0.5878378), wk = 0.0020704 k( 90) = ( 0.5000000 0.0945946 0.5945946), wk = 0.0020704 k( 91) = ( 0.5000000 0.1013514 0.6013513), wk = 0.0020704 k( 92) = ( 0.5000000 0.1081081 0.6081081), wk = 0.0020704 k( 93) = ( 0.5000000 0.1148649 0.6148649), wk = 0.0020704 k( 94) = ( 0.5000000 0.1216216 0.6216216), wk = 0.0020704 k( 95) = ( 0.5000000 0.1283784 0.6283784), wk = 0.0020704 k( 96) = ( 0.5000000 0.1351351 0.6351351), wk = 0.0020704 k( 97) = ( 0.5000000 0.1418919 0.6418919), wk = 0.0020704 k( 98) = ( 0.5000000 0.1486486 0.6486487), wk = 0.0020704 k( 99) = ( 0.5000000 0.1554054 0.6554054), wk = 0.0020704 k( 100) = ( 0.5000000 0.1621622 0.6621622), wk = 0.0020704 k( 101) = ( 0.5000000 0.1689189 0.6689189), wk = 0.0020704 k( 102) = ( 0.5000000 0.1756757 0.6756757), wk = 0.0020704 k( 103) = ( 0.5000000 0.1824324 0.6824324), wk = 0.0020704 k( 104) = ( 0.5000000 0.1891892 0.6891892), wk = 0.0020704 k( 105) = ( 0.5000000 0.1959460 0.6959460), wk = 0.0020704 k( 106) = ( 0.5000000 0.2027027 0.7027027), wk = 0.0020704 k( 107) = ( 0.5000000 0.2094595 0.7094595), wk = 0.0020704 k( 108) = ( 0.5000000 0.2162162 0.7162162), wk = 0.0020704 k( 109) = ( 0.5000000 0.2229730 0.7229730), wk = 0.0020704 k( 110) = ( 0.5000000 0.2297297 0.7297297), wk = 0.0020704 k( 111) = ( 0.5000000 0.2364865 0.7364865), wk = 0.0020704 k( 112) = ( 0.5000000 0.2432432 0.7432432), wk = 0.0020704 k( 113) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020704 k( 114) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020704 k( 115) = ( 0.4951923 0.2548077 0.7500000), wk = 0.0020704 k( 116) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0020704 k( 117) = ( 0.4855769 0.2644231 0.7500000), wk = 0.0020704 k( 118) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0020704 k( 119) = ( 0.4759615 0.2740385 0.7500000), wk = 0.0020704 k( 120) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0020704 k( 121) = ( 0.4663462 0.2836538 0.7500000), wk = 0.0020704 k( 122) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0020704 k( 123) = ( 0.4567308 0.2932692 0.7500000), wk = 0.0020704 k( 124) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0020704 k( 125) = ( 0.4471154 0.3028846 0.7500000), wk = 0.0020704 k( 126) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0020704 k( 127) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0020704 k( 128) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0020704 k( 129) = ( 0.4278846 0.3221154 0.7500000), wk = 0.0020704 k( 130) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0020704 k( 131) = ( 0.4182692 0.3317308 0.7500000), wk = 0.0020704 k( 132) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0020704 k( 133) = ( 0.4086538 0.3413462 0.7500000), wk = 0.0020704 k( 134) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0020704 k( 135) = ( 0.3990385 0.3509615 0.7500000), wk = 0.0020704 k( 136) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0020704 k( 137) = ( 0.3894231 0.3605769 0.7500000), wk = 0.0020704 k( 138) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0020704 k( 139) = ( 0.3798077 0.3701923 0.7500000), wk = 0.0020704 k( 140) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020704 k( 141) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020704 k( 142) = ( 0.3701923 0.3701923 0.7403846), wk = 0.0020704 k( 143) = ( 0.3653846 0.3653846 0.7307692), wk = 0.0020704 k( 144) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0020704 k( 145) = ( 0.3557692 0.3557692 0.7115385), wk = 0.0020704 k( 146) = ( 0.3509615 0.3509615 0.7019231), wk = 0.0020704 k( 147) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0020704 k( 148) = ( 0.3413462 0.3413462 0.6826923), wk = 0.0020704 k( 149) = ( 0.3365385 0.3365385 0.6730769), wk = 0.0020704 k( 150) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0020704 k( 151) = ( 0.3269231 0.3269231 0.6538461), wk = 0.0020704 k( 152) = ( 0.3221154 0.3221154 0.6442308), wk = 0.0020704 k( 153) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0020704 k( 154) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0020704 k( 155) = ( 0.3076923 0.3076923 0.6153846), wk = 0.0020704 k( 156) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0020704 k( 157) = ( 0.2980769 0.2980769 0.5961538), wk = 0.0020704 k( 158) = ( 0.2932692 0.2932692 0.5865385), wk = 0.0020704 k( 159) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0020704 k( 160) = ( 0.2836538 0.2836538 0.5673077), wk = 0.0020704 k( 161) = ( 0.2788462 0.2788462 0.5576923), wk = 0.0020704 k( 162) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0020704 k( 163) = ( 0.2692308 0.2692308 0.5384615), wk = 0.0020704 k( 164) = ( 0.2644231 0.2644231 0.5288462), wk = 0.0020704 k( 165) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0020704 k( 166) = ( 0.2548077 0.2548077 0.5096154), wk = 0.0020704 k( 167) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020704 k( 168) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0020704 k( 169) = ( 0.2403846 0.2403846 0.4807692), wk = 0.0020704 k( 170) = ( 0.2355769 0.2355769 0.4711538), wk = 0.0020704 k( 171) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0020704 k( 172) = ( 0.2259615 0.2259615 0.4519231), wk = 0.0020704 k( 173) = ( 0.2211539 0.2211538 0.4423077), wk = 0.0020704 k( 174) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0020704 k( 175) = ( 0.2115385 0.2115385 0.4230769), wk = 0.0020704 k( 176) = ( 0.2067308 0.2067308 0.4134615), wk = 0.0020704 k( 177) = ( 0.2019231 0.2019231 0.4038461), wk = 0.0020704 k( 178) = ( 0.1971154 0.1971154 0.3942308), wk = 0.0020704 k( 179) = ( 0.1923077 0.1923077 0.3846154), wk = 0.0020704 k( 180) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0020704 k( 181) = ( 0.1826923 0.1826923 0.3653846), wk = 0.0020704 k( 182) = ( 0.1778846 0.1778846 0.3557692), wk = 0.0020704 k( 183) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0020704 k( 184) = ( 0.1682692 0.1682692 0.3365385), wk = 0.0020704 k( 185) = ( 0.1634615 0.1634615 0.3269231), wk = 0.0020704 k( 186) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0020704 k( 187) = ( 0.1538461 0.1538461 0.3076923), wk = 0.0020704 k( 188) = ( 0.1490385 0.1490385 0.2980769), wk = 0.0020704 k( 189) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0020704 k( 190) = ( 0.1394231 0.1394231 0.2788462), wk = 0.0020704 k( 191) = ( 0.1346154 0.1346154 0.2692308), wk = 0.0020704 k( 192) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0020704 k( 193) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0020704 k( 194) = ( 0.1201923 0.1201923 0.2403846), wk = 0.0020704 k( 195) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0020704 k( 196) = ( 0.1105769 0.1105769 0.2211539), wk = 0.0020704 k( 197) = ( 0.1057692 0.1057692 0.2115385), wk = 0.0020704 k( 198) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0020704 k( 199) = ( 0.0961538 0.0961538 0.1923077), wk = 0.0020704 k( 200) = ( 0.0913462 0.0913462 0.1826923), wk = 0.0020704 k( 201) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0020704 k( 202) = ( 0.0817308 0.0817308 0.1634615), wk = 0.0020704 k( 203) = ( 0.0769231 0.0769231 0.1538461), wk = 0.0020704 k( 204) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0020704 k( 205) = ( 0.0673077 0.0673077 0.1346154), wk = 0.0020704 k( 206) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0020704 k( 207) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0020704 k( 208) = ( 0.0528846 0.0528846 0.1057692), wk = 0.0020704 k( 209) = ( 0.0480769 0.0480769 0.0961538), wk = 0.0020704 k( 210) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0020704 k( 211) = ( 0.0384615 0.0384615 0.0769231), wk = 0.0020704 k( 212) = ( 0.0336538 0.0336538 0.0673077), wk = 0.0020704 k( 213) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0020704 k( 214) = ( 0.0240385 0.0240385 0.0480769), wk = 0.0020704 k( 215) = ( 0.0192308 0.0192308 0.0384615), wk = 0.0020704 k( 216) = ( 0.0144231 0.0144231 0.0288461), wk = 0.0020704 k( 217) = ( 0.0096154 0.0096154 0.0192308), wk = 0.0020704 k( 218) = ( 0.0048077 0.0048077 0.0096154), wk = 0.0020704 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020704 k( 221) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0020704 k( 222) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0020704 k( 223) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0020704 k( 224) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0020704 k( 225) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0020704 k( 226) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0020704 k( 227) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0020704 k( 228) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0020704 k( 229) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0020704 k( 230) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0020704 k( 231) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0020704 k( 232) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0020704 k( 233) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0020704 k( 234) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0020704 k( 235) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0020704 k( 236) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0020704 k( 237) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0020704 k( 238) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0020704 k( 239) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0020704 k( 240) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0020704 k( 241) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0020704 k( 242) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0020704 k( 243) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0020704 k( 244) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0020704 k( 245) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0020704 k( 246) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0020704 k( 247) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0020704 k( 248) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0020704 k( 249) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0020704 k( 250) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0020704 k( 251) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0020704 k( 252) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020704 k( 253) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0020704 k( 254) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0020704 k( 255) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0020704 k( 256) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0020704 k( 257) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0020704 k( 258) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0020704 k( 259) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0020704 k( 260) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0020704 k( 261) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0020704 k( 262) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0020704 k( 263) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0020704 k( 264) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0020704 k( 265) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0020704 k( 266) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0020704 k( 267) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0020704 k( 268) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0020704 k( 269) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0020704 k( 270) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0020704 k( 271) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0020704 k( 272) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0020704 k( 273) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0020704 k( 274) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0020704 k( 275) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0020704 k( 276) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0020704 k( 277) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0020704 k( 278) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0020704 k( 279) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0020704 k( 280) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0020704 k( 281) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0020704 k( 282) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0020704 k( 283) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0020704 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020704 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020704 k( 286) = ( 0.5027778 0.4944444 0.5027778), wk = 0.0020704 k( 287) = ( 0.5055556 0.4888889 0.5055556), wk = 0.0020704 k( 288) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0020704 k( 289) = ( 0.5111111 0.4777778 0.5111111), wk = 0.0020704 k( 290) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0020704 k( 291) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0020704 k( 292) = ( 0.5194444 0.4611111 0.5194444), wk = 0.0020704 k( 293) = ( 0.5222222 0.4555556 0.5222222), wk = 0.0020704 k( 294) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0020704 k( 295) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0020704 k( 296) = ( 0.5305556 0.4388889 0.5305556), wk = 0.0020704 k( 297) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0020704 k( 298) = ( 0.5361111 0.4277778 0.5361111), wk = 0.0020704 k( 299) = ( 0.5388889 0.4222222 0.5388889), wk = 0.0020704 k( 300) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0020704 k( 301) = ( 0.5444444 0.4111111 0.5444444), wk = 0.0020704 k( 302) = ( 0.5472222 0.4055556 0.5472222), wk = 0.0020704 k( 303) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0020704 k( 304) = ( 0.5527778 0.3944444 0.5527778), wk = 0.0020704 k( 305) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0020704 k( 306) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0020704 k( 307) = ( 0.5611111 0.3777778 0.5611111), wk = 0.0020704 k( 308) = ( 0.5638889 0.3722222 0.5638889), wk = 0.0020704 k( 309) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0020704 k( 310) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0020704 k( 311) = ( 0.5722222 0.3555556 0.5722222), wk = 0.0020704 k( 312) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0020704 k( 313) = ( 0.5777778 0.3444444 0.5777778), wk = 0.0020704 k( 314) = ( 0.5805556 0.3388889 0.5805556), wk = 0.0020704 k( 315) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0020704 k( 316) = ( 0.5861111 0.3277778 0.5861111), wk = 0.0020704 k( 317) = ( 0.5888889 0.3222222 0.5888889), wk = 0.0020704 k( 318) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0020704 k( 319) = ( 0.5944444 0.3111111 0.5944444), wk = 0.0020704 k( 320) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0020704 k( 321) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0020704 k( 322) = ( 0.6027778 0.2944444 0.6027778), wk = 0.0020704 k( 323) = ( 0.6055556 0.2888889 0.6055556), wk = 0.0020704 k( 324) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0020704 k( 325) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0020704 k( 326) = ( 0.6138889 0.2722222 0.6138889), wk = 0.0020704 k( 327) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0020704 k( 328) = ( 0.6194444 0.2611111 0.6194444), wk = 0.0020704 k( 329) = ( 0.6222222 0.2555556 0.6222222), wk = 0.0020704 k( 330) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020704 k( 331) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020704 k( 332) = ( 0.6201923 0.2500000 0.6298077), wk = 0.0020704 k( 333) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0020704 k( 334) = ( 0.6105769 0.2500000 0.6394231), wk = 0.0020704 k( 335) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0020704 k( 336) = ( 0.6009615 0.2500000 0.6490385), wk = 0.0020704 k( 337) = ( 0.5961538 0.2500000 0.6538461), wk = 0.0020704 k( 338) = ( 0.5913462 0.2500000 0.6586538), wk = 0.0020704 k( 339) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0020704 k( 340) = ( 0.5817308 0.2500000 0.6682692), wk = 0.0020704 k( 341) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0020704 k( 342) = ( 0.5721154 0.2500000 0.6778846), wk = 0.0020704 k( 343) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0020704 k( 344) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0020704 k( 345) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0020704 k( 346) = ( 0.5528846 0.2500000 0.6971154), wk = 0.0020704 k( 347) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0020704 k( 348) = ( 0.5432692 0.2500000 0.7067308), wk = 0.0020704 k( 349) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0020704 k( 350) = ( 0.5336538 0.2500000 0.7163461), wk = 0.0020704 k( 351) = ( 0.5288462 0.2500000 0.7211538), wk = 0.0020704 k( 352) = ( 0.5240385 0.2500000 0.7259615), wk = 0.0020704 k( 353) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0020704 k( 354) = ( 0.5144231 0.2500000 0.7355769), wk = 0.0020704 k( 355) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0020704 k( 356) = ( 0.5048077 0.2500000 0.7451923), wk = 0.0020704 k( 357) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020704 k( 358) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020704 k( 359) = ( 0.5000000 0.2548077 0.7451923), wk = 0.0020704 k( 360) = ( 0.5000000 0.2596154 0.7403846), wk = 0.0020704 k( 361) = ( 0.5000000 0.2644231 0.7355769), wk = 0.0020704 k( 362) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0020704 k( 363) = ( 0.5000000 0.2740385 0.7259615), wk = 0.0020704 k( 364) = ( 0.5000000 0.2788462 0.7211538), wk = 0.0020704 k( 365) = ( 0.5000000 0.2836538 0.7163461), wk = 0.0020704 k( 366) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0020704 k( 367) = ( 0.5000000 0.2932692 0.7067308), wk = 0.0020704 k( 368) = ( 0.5000000 0.2980769 0.7019231), wk = 0.0020704 k( 369) = ( 0.5000000 0.3028846 0.6971154), wk = 0.0020704 k( 370) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0020704 k( 371) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0020704 k( 372) = ( 0.5000000 0.3173077 0.6826923), wk = 0.0020704 k( 373) = ( 0.5000000 0.3221154 0.6778846), wk = 0.0020704 k( 374) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0020704 k( 375) = ( 0.5000000 0.3317308 0.6682692), wk = 0.0020704 k( 376) = ( 0.5000000 0.3365385 0.6634615), wk = 0.0020704 k( 377) = ( 0.5000000 0.3413462 0.6586538), wk = 0.0020704 k( 378) = ( 0.5000000 0.3461538 0.6538461), wk = 0.0020704 k( 379) = ( 0.5000000 0.3509615 0.6490385), wk = 0.0020704 k( 380) = ( 0.5000000 0.3557692 0.6442308), wk = 0.0020704 k( 381) = ( 0.5000000 0.3605769 0.6394231), wk = 0.0020704 k( 382) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0020704 k( 383) = ( 0.5000000 0.3701923 0.6298077), wk = 0.0020704 k( 384) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0020704 k( 385) = ( 0.5000000 0.3798077 0.6201923), wk = 0.0020704 k( 386) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0020704 k( 387) = ( 0.5000000 0.3894231 0.6105769), wk = 0.0020704 k( 388) = ( 0.5000000 0.3942308 0.6057692), wk = 0.0020704 k( 389) = ( 0.5000000 0.3990385 0.6009615), wk = 0.0020704 k( 390) = ( 0.5000000 0.4038462 0.5961538), wk = 0.0020704 k( 391) = ( 0.5000000 0.4086538 0.5913462), wk = 0.0020704 k( 392) = ( 0.5000000 0.4134615 0.5865385), wk = 0.0020704 k( 393) = ( 0.5000000 0.4182692 0.5817308), wk = 0.0020704 k( 394) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0020704 k( 395) = ( 0.5000000 0.4278846 0.5721154), wk = 0.0020704 k( 396) = ( 0.5000000 0.4326923 0.5673077), wk = 0.0020704 k( 397) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0020704 k( 398) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0020704 k( 399) = ( 0.5000000 0.4471154 0.5528846), wk = 0.0020704 k( 400) = ( 0.5000000 0.4519231 0.5480769), wk = 0.0020704 k( 401) = ( 0.5000000 0.4567308 0.5432692), wk = 0.0020704 k( 402) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0020704 k( 403) = ( 0.5000000 0.4663462 0.5336538), wk = 0.0020704 k( 404) = ( 0.5000000 0.4711538 0.5288462), wk = 0.0020704 k( 405) = ( 0.5000000 0.4759615 0.5240385), wk = 0.0020704 k( 406) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0020704 k( 407) = ( 0.5000000 0.4855769 0.5144231), wk = 0.0020704 k( 408) = ( 0.5000000 0.4903846 0.5096154), wk = 0.0020704 k( 409) = ( 0.5000000 0.4951923 0.5048077), wk = 0.0020704 k( 410) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020704 k( 411) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020704 k( 412) = ( 0.4972222 0.4972222 0.5055556), wk = 0.0020704 k( 413) = ( 0.4944444 0.4944444 0.5111111), wk = 0.0020704 k( 414) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0020704 k( 415) = ( 0.4888889 0.4888889 0.5222222), wk = 0.0020704 k( 416) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0020704 k( 417) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0020704 k( 418) = ( 0.4805556 0.4805556 0.5388889), wk = 0.0020704 k( 419) = ( 0.4777778 0.4777778 0.5444444), wk = 0.0020704 k( 420) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0020704 k( 421) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0020704 k( 422) = ( 0.4694444 0.4694444 0.5611111), wk = 0.0020704 k( 423) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0020704 k( 424) = ( 0.4638889 0.4638889 0.5722222), wk = 0.0020704 k( 425) = ( 0.4611111 0.4611111 0.5777778), wk = 0.0020704 k( 426) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0020704 k( 427) = ( 0.4555556 0.4555556 0.5888889), wk = 0.0020704 k( 428) = ( 0.4527778 0.4527778 0.5944444), wk = 0.0020704 k( 429) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0020704 k( 430) = ( 0.4472222 0.4472222 0.6055556), wk = 0.0020704 k( 431) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0020704 k( 432) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0020704 k( 433) = ( 0.4388889 0.4388889 0.6222222), wk = 0.0020704 k( 434) = ( 0.4361111 0.4361111 0.6277778), wk = 0.0020704 k( 435) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0020704 k( 436) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0020704 k( 437) = ( 0.4277778 0.4277778 0.6444444), wk = 0.0020704 k( 438) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0020704 k( 439) = ( 0.4222222 0.4222222 0.6555556), wk = 0.0020704 k( 440) = ( 0.4194444 0.4194444 0.6611111), wk = 0.0020704 k( 441) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0020704 k( 442) = ( 0.4138889 0.4138889 0.6722222), wk = 0.0020704 k( 443) = ( 0.4111111 0.4111111 0.6777778), wk = 0.0020704 k( 444) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0020704 k( 445) = ( 0.4055556 0.4055556 0.6888889), wk = 0.0020704 k( 446) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0020704 k( 447) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0020704 k( 448) = ( 0.3972222 0.3972222 0.7055556), wk = 0.0020704 k( 449) = ( 0.3944444 0.3944444 0.7111111), wk = 0.0020704 k( 450) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0020704 k( 451) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0020704 k( 452) = ( 0.3861111 0.3861111 0.7277778), wk = 0.0020704 k( 453) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0020704 k( 454) = ( 0.3805556 0.3805556 0.7388889), wk = 0.0020704 k( 455) = ( 0.3777778 0.3777778 0.7444444), wk = 0.0020704 k( 456) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020704 k( 457) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020704 k( 458) = ( 0.6201923 0.2403846 0.6201923), wk = 0.0020704 k( 459) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0020704 k( 460) = ( 0.6105769 0.2211539 0.6105769), wk = 0.0020704 k( 461) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0020704 k( 462) = ( 0.6009615 0.2019231 0.6009615), wk = 0.0020704 k( 463) = ( 0.5961538 0.1923077 0.5961538), wk = 0.0020704 k( 464) = ( 0.5913462 0.1826923 0.5913461), wk = 0.0020704 k( 465) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0020704 k( 466) = ( 0.5817308 0.1634615 0.5817308), wk = 0.0020704 k( 467) = ( 0.5769231 0.1538461 0.5769231), wk = 0.0020704 k( 468) = ( 0.5721154 0.1442308 0.5721154), wk = 0.0020704 k( 469) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0020704 k( 470) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0020704 k( 471) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0020704 k( 472) = ( 0.5528846 0.1057692 0.5528846), wk = 0.0020704 k( 473) = ( 0.5480769 0.0961538 0.5480769), wk = 0.0020704 k( 474) = ( 0.5432692 0.0865385 0.5432692), wk = 0.0020704 k( 475) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0020704 k( 476) = ( 0.5336538 0.0673077 0.5336538), wk = 0.0020704 k( 477) = ( 0.5288462 0.0576923 0.5288461), wk = 0.0020704 k( 478) = ( 0.5240385 0.0480769 0.5240385), wk = 0.0020704 k( 479) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0020704 k( 480) = ( 0.5144231 0.0288461 0.5144231), wk = 0.0020704 k( 481) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0020704 k( 482) = ( 0.5048077 0.0096154 0.5048077), wk = 0.0020704 k( 483) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020704 Dense grid: 13107 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 5673 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 32, 22) NL pseudopotentials 0.01 Mb ( 16, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 273) G-vector shells 0.00 Mb ( 113) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 32, 88) Each subspace H/S matrix 0.12 Mb ( 88, 88) Each matrix 0.03 Mb ( 48, 2, 22) The potential is recalculated from file : ./CoN.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 40.8 secs Computing kpt #: 2 total cpu time spent up to now is 41.2 secs Computing kpt #: 3 total cpu time spent up to now is 41.4 secs Computing kpt #: 4 total cpu time spent up to now is 41.6 secs Computing kpt #: 5 total cpu time spent up to now is 41.8 secs Computing kpt #: 6 total cpu time spent up to now is 42.0 secs Computing kpt #: 7 total cpu time spent up to now is 42.3 secs Computing kpt #: 8 total cpu time spent up to now is 42.5 secs Computing kpt #: 9 total cpu time spent up to now is 42.7 secs Computing kpt #: 10 total cpu time spent up to now is 42.9 secs Computing kpt #: 11 total cpu time spent up to now is 43.2 secs Computing kpt #: 12 total cpu time spent up to now is 43.4 secs Computing kpt #: 13 total cpu time spent up to now is 43.7 secs Computing kpt #: 14 total cpu time spent up to now is 43.9 secs Computing kpt #: 15 total cpu time spent up to now is 44.1 secs Computing kpt #: 16 total cpu time spent up to now is 44.4 secs Computing kpt #: 17 total cpu time spent up to now is 44.6 secs Computing kpt #: 18 total cpu time spent up to now is 44.8 secs Computing kpt #: 19 total cpu time spent up to now is 45.0 secs Computing kpt #: 20 total cpu time spent up to now is 45.2 secs Computing kpt #: 21 total cpu time spent up to now is 45.4 secs Computing kpt #: 22 total cpu time spent up to now is 45.6 secs Computing kpt #: 23 total cpu time spent up to now is 45.8 secs Computing kpt #: 24 total cpu time spent up to now is 45.9 secs Computing kpt #: 25 total cpu time spent up to now is 46.1 secs Computing kpt #: 26 total cpu time spent up to now is 46.4 secs Computing kpt #: 27 total cpu time spent up to now is 46.6 secs Computing kpt #: 28 total cpu time spent up to now is 47.1 secs Computing kpt #: 29 total cpu time spent up to now is 47.3 secs Computing kpt #: 30 total cpu time spent up to now is 47.5 secs Computing kpt #: 31 total cpu time spent up to now is 47.8 secs Computing kpt #: 32 total cpu time spent up to now is 48.2 secs Computing kpt #: 33 total cpu time spent up to now is 48.8 secs Computing kpt #: 34 total cpu time spent up to now is 49.1 secs Computing kpt #: 35 total cpu time spent up to now is 49.6 secs Computing kpt #: 36 total cpu time spent up to now is 50.1 secs Computing kpt #: 37 total cpu time spent up to now is 50.3 secs Computing kpt #: 38 total cpu time spent up to now is 50.5 secs Computing kpt #: 39 total cpu time spent up to now is 50.9 secs Computing kpt #: 40 total cpu time spent up to now is 51.1 secs Computing kpt #: 41 total cpu time spent up to now is 51.3 secs Computing kpt #: 42 total cpu time spent up to now is 51.6 secs Computing kpt #: 43 total cpu time spent up to now is 51.9 secs Computing kpt #: 44 total cpu time spent up to now is 52.1 secs Computing kpt #: 45 total cpu time spent up to now is 52.5 secs Computing kpt #: 46 total cpu time spent up to now is 52.6 secs Computing kpt #: 47 total cpu time spent up to now is 53.2 secs Computing kpt #: 48 total cpu time spent up to now is 53.7 secs Computing kpt #: 49 total cpu time spent up to now is 54.1 secs Computing kpt #: 50 total cpu time spent up to now is 54.4 secs Computing kpt #: 51 total cpu time spent up to now is 54.6 secs Computing kpt #: 52 total cpu time spent up to now is 55.0 secs Computing kpt #: 53 total cpu time spent up to now is 55.2 secs Computing kpt #: 54 total cpu time spent up to now is 55.4 secs Computing kpt #: 55 total cpu time spent up to now is 55.6 secs Computing kpt #: 56 total cpu time spent up to now is 55.7 secs Computing kpt #: 57 total cpu time spent up to now is 55.9 secs Computing kpt #: 58 total cpu time spent up to now is 56.0 secs Computing kpt #: 59 total cpu time spent up to now is 56.2 secs Computing kpt #: 60 total cpu time spent up to now is 56.4 secs Computing kpt #: 61 total cpu time spent up to now is 56.5 secs Computing kpt #: 62 total cpu time spent up to now is 56.7 secs Computing kpt #: 63 total cpu time spent up to now is 56.8 secs Computing kpt #: 64 total cpu time spent up to now is 57.0 secs Computing kpt #: 65 total cpu time spent up to now is 57.1 secs Computing kpt #: 66 total cpu time spent up to now is 57.3 secs Computing kpt #: 67 total cpu time spent up to now is 57.5 secs Computing kpt #: 68 total cpu time spent up to now is 57.7 secs Computing kpt #: 69 total cpu time spent up to now is 57.9 secs Computing kpt #: 70 total cpu time spent up to now is 58.1 secs Computing kpt #: 71 total cpu time spent up to now is 58.3 secs Computing kpt #: 72 total cpu time spent up to now is 58.4 secs Computing kpt #: 73 total cpu time spent up to now is 58.6 secs Computing kpt #: 74 total cpu time spent up to now is 58.7 secs Computing kpt #: 75 total cpu time spent up to now is 58.9 secs Computing kpt #: 76 total cpu time spent up to now is 59.1 secs Computing kpt #: 77 total cpu time spent up to now is 59.4 secs Computing kpt #: 78 total cpu time spent up to now is 59.7 secs Computing kpt #: 79 total cpu time spent up to now is 59.9 secs Computing kpt #: 80 total cpu time spent up to now is 60.1 secs Computing kpt #: 81 total cpu time spent up to now is 60.3 secs Computing kpt #: 82 total cpu time spent up to now is 60.5 secs Computing kpt #: 83 total cpu time spent up to now is 60.7 secs Computing kpt #: 84 total cpu time spent up to now is 61.0 secs Computing kpt #: 85 total cpu time spent up to now is 61.2 secs Computing kpt #: 86 total cpu time spent up to now is 61.3 secs Computing kpt #: 87 total cpu time spent up to now is 61.5 secs Computing kpt #: 88 total cpu time spent up to now is 61.7 secs Computing kpt #: 89 total cpu time spent up to now is 61.8 secs Computing kpt #: 90 total cpu time spent up to now is 62.0 secs Computing kpt #: 91 total cpu time spent up to now is 62.2 secs Computing kpt #: 92 total cpu time spent up to now is 62.4 secs Computing kpt #: 93 total cpu time spent up to now is 62.5 secs Computing kpt #: 94 total cpu time spent up to now is 62.7 secs Computing kpt #: 95 total cpu time spent up to now is 62.9 secs Computing kpt #: 96 total cpu time spent up to now is 63.0 secs Computing kpt #: 97 total cpu time spent up to now is 63.2 secs Computing kpt #: 98 total cpu time spent up to now is 63.4 secs Computing kpt #: 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up to now is 68.9 secs Computing kpt #: 115 total cpu time spent up to now is 69.1 secs Computing kpt #: 116 total cpu time spent up to now is 69.3 secs Computing kpt #: 117 total cpu time spent up to now is 69.5 secs Computing kpt #: 118 total cpu time spent up to now is 69.7 secs Computing kpt #: 119 total cpu time spent up to now is 70.0 secs Computing kpt #: 120 total cpu time spent up to now is 70.2 secs Computing kpt #: 121 total cpu time spent up to now is 70.5 secs Computing kpt #: 122 total cpu time spent up to now is 70.8 secs Computing kpt #: 123 total cpu time spent up to now is 71.2 secs Computing kpt #: 124 total cpu time spent up to now is 71.6 secs Computing kpt #: 125 total cpu time spent up to now is 71.8 secs Computing kpt #: 126 total cpu time spent up to now is 72.1 secs Computing kpt #: 127 total cpu time spent up to now is 72.3 secs Computing kpt #: 128 total cpu time spent up to now is 72.5 secs Computing kpt #: 129 total cpu time spent up to now is 72.8 secs Computing kpt #: 130 total cpu time spent up to now is 73.0 secs Computing kpt #: 131 total cpu time spent up to now is 73.2 secs Computing kpt #: 132 total cpu time spent up to now is 73.4 secs Computing kpt #: 133 total cpu time spent up to now is 73.5 secs Computing kpt #: 134 total cpu time spent up to now is 73.7 secs Computing kpt #: 135 total cpu time spent up to now is 73.9 secs Computing kpt #: 136 total cpu time spent up to now is 74.1 secs Computing kpt #: 137 total cpu time spent up to now is 74.2 secs Computing kpt #: 138 total cpu time spent up to now is 74.4 secs Computing kpt #: 139 total cpu time spent up to now is 74.6 secs Computing kpt #: 140 total cpu time spent up to now is 74.8 secs Computing kpt #: 141 total cpu time spent up to now is 74.9 secs Computing kpt #: 142 total cpu time spent up to now is 75.1 secs Computing kpt #: 143 total cpu time spent up to now is 75.4 secs Computing kpt #: 144 total cpu time spent up to now is 75.6 secs Computing kpt #: 145 total cpu time spent up to now is 75.9 secs Computing kpt #: 146 total cpu time spent up to now is 76.1 secs Computing kpt #: 147 total cpu time spent up to now is 76.4 secs Computing kpt #: 148 total cpu time spent up to now is 76.6 secs Computing kpt #: 149 total cpu time spent up to now is 76.9 secs Computing kpt #: 150 total cpu time spent up to now is 77.1 secs Computing kpt #: 151 total cpu time spent up to now is 77.5 secs Computing kpt #: 152 total cpu time spent up to now is 77.9 secs Computing kpt #: 153 total cpu time spent up to now is 78.1 secs Computing kpt #: 154 total cpu time spent up to now is 79.0 secs Computing kpt #: 155 total cpu time spent up to now is 79.3 secs Computing kpt #: 156 total cpu time spent up to now is 79.4 secs Computing kpt #: 157 total cpu time spent up to now is 79.8 secs Computing kpt #: 158 total cpu time spent up to now is 80.0 secs Computing kpt #: 159 total cpu time spent up to now is 80.4 secs Computing kpt #: 160 total cpu time spent up to now is 80.7 secs Computing kpt #: 161 total cpu time spent up to now is 80.9 secs Computing kpt #: 162 total cpu time spent up to now is 81.2 secs Computing kpt #: 163 total cpu time spent up to now is 81.4 secs Computing kpt #: 164 total cpu time spent up to now is 81.6 secs Computing kpt #: 165 total cpu time spent up to now is 81.9 secs Computing kpt #: 166 total cpu time spent up to now is 82.1 secs Computing kpt #: 167 total cpu time spent up to now is 82.3 secs Computing kpt #: 168 total cpu time spent up to now is 82.5 secs Computing kpt #: 169 total cpu time spent up to now is 82.7 secs Computing kpt #: 170 total cpu time spent up to now is 82.9 secs Computing kpt #: 171 total cpu time spent up to now is 83.1 secs Computing kpt #: 172 total cpu time spent up to now is 83.2 secs Computing kpt #: 173 total cpu time spent up to now is 83.4 secs Computing kpt #: 174 total cpu time spent up to now is 83.6 secs Computing kpt #: 175 total cpu time spent up to now is 83.8 secs Computing kpt #: 176 total cpu time spent up to now is 84.0 secs Computing kpt #: 177 total cpu time spent up to now is 84.2 secs Computing kpt #: 178 total cpu time spent up to now is 84.4 secs Computing kpt #: 179 total cpu time spent up to now is 84.7 secs Computing kpt #: 180 total cpu time spent up to now is 84.9 secs Computing kpt #: 181 total cpu time spent up to now is 85.5 secs Computing kpt #: 182 total cpu time spent up to now is 85.7 secs Computing kpt #: 183 total cpu time spent up to now is 86.0 secs Computing kpt #: 184 total cpu time spent up to now is 86.3 secs Computing kpt #: 185 total cpu time spent up to now is 86.6 secs Computing kpt #: 186 total cpu time spent up to now is 86.9 secs Computing kpt #: 187 total cpu time spent up to now is 87.1 secs Computing kpt #: 188 total cpu time spent up to now is 87.3 secs Computing kpt #: 189 total cpu time spent up to now is 87.5 secs Computing kpt #: 190 total cpu time spent up to now is 87.8 secs Computing kpt #: 191 total cpu time spent up to now is 88.0 secs Computing kpt #: 192 total cpu time spent up to now is 88.2 secs Computing kpt #: 193 total cpu time spent up to now is 88.4 secs Computing kpt #: 194 total cpu time spent up to now is 88.6 secs Computing kpt #: 195 total cpu time spent up to now is 88.9 secs Computing kpt #: 196 total cpu time spent up to now is 89.1 secs Computing kpt #: 197 total cpu time spent up to now is 89.3 secs Computing kpt #: 198 total cpu time spent up to now is 89.5 secs Computing kpt #: 199 total cpu time spent up to now is 89.7 secs Computing kpt #: 200 total cpu time spent up to now is 89.9 secs Computing kpt #: 201 total cpu time spent up to now is 90.1 secs Computing kpt #: 202 total cpu time spent up to now is 90.3 secs Computing kpt #: 203 total cpu time spent up to now is 90.5 secs Computing kpt #: 204 total cpu time spent up to now is 90.7 secs Computing kpt #: 205 total cpu time spent up to now is 90.9 secs Computing kpt #: 206 total cpu time spent up 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Computing kpt #: 222 total cpu time spent up to now is 95.0 secs Computing kpt #: 223 total cpu time spent up to now is 95.2 secs Computing kpt #: 224 total cpu time spent up to now is 95.5 secs Computing kpt #: 225 total cpu time spent up to now is 95.9 secs Computing kpt #: 226 total cpu time spent up to now is 96.5 secs Computing kpt #: 227 total cpu time spent up to now is 96.8 secs Computing kpt #: 228 total cpu time spent up to now is 97.0 secs Computing kpt #: 229 total cpu time spent up to now is 97.2 secs Computing kpt #: 230 total cpu time spent up to now is 97.5 secs Computing kpt #: 231 total cpu time spent up to now is 97.7 secs Computing kpt #: 232 total cpu time spent up to now is 98.0 secs Computing kpt #: 233 total cpu time spent up to now is 98.2 secs Computing kpt #: 234 total cpu time spent up to now is 98.5 secs Computing kpt #: 235 total cpu time spent up to now is 98.7 secs Computing kpt #: 236 total cpu time spent up to now is 98.9 secs Computing kpt #: 237 total cpu time spent up to now is 99.1 secs Computing kpt #: 238 total cpu time spent up to now is 99.3 secs Computing kpt #: 239 total cpu time spent up to now is 99.5 secs Computing kpt #: 240 total cpu time spent up to now is 99.7 secs Computing kpt #: 241 total cpu time spent up to now is 100.0 secs Computing kpt #: 242 total cpu time spent up to now is 100.2 secs Computing kpt #: 243 total cpu time spent up to now is 100.4 secs Computing kpt #: 244 total cpu time spent up to now is 100.6 secs Computing kpt #: 245 total cpu time spent up to now is 100.8 secs Computing kpt #: 246 total cpu time spent up to now is 101.0 secs Computing kpt #: 247 total cpu time spent up to now is 101.2 secs Computing kpt #: 248 total cpu time spent up to now is 101.4 secs Computing kpt #: 249 total cpu time spent up to now is 101.6 secs Computing kpt #: 250 total cpu time spent up to now is 101.7 secs Computing kpt #: 251 total cpu time spent up to now is 102.0 secs Computing kpt #: 252 total cpu time spent up to now is 102.1 secs Computing kpt #: 253 total cpu time spent up to now is 102.3 secs Computing kpt #: 254 total cpu time spent up to now is 102.5 secs Computing kpt #: 255 total cpu time spent up to now is 102.6 secs Computing kpt #: 256 total cpu time spent up to now is 102.8 secs Computing kpt #: 257 total cpu time spent up to now is 102.9 secs Computing kpt #: 258 total cpu time spent up to now is 103.1 secs Computing kpt #: 259 total cpu time spent up to now is 103.3 secs Computing kpt #: 260 total cpu time spent up to now is 103.4 secs Computing kpt #: 261 total cpu time spent up to now is 103.6 secs Computing kpt #: 262 total cpu time spent up to now is 103.7 secs Computing kpt #: 263 total cpu time spent up to now is 103.9 secs Computing kpt #: 264 total cpu time spent up to now is 104.1 secs Computing kpt #: 265 total cpu time spent up to now is 104.3 secs Computing kpt #: 266 total cpu time spent up to now is 104.5 secs Computing kpt #: 267 total cpu time spent up to now is 104.8 secs Computing kpt #: 268 total cpu time spent up to now is 105.0 secs Computing kpt #: 269 total cpu time spent up to now is 105.2 secs Computing kpt #: 270 total cpu time spent up to now is 105.5 secs Computing kpt #: 271 total cpu time spent up to now is 106.1 secs Computing kpt #: 272 total cpu time spent up to now is 107.0 secs Computing kpt #: 273 total cpu time spent up to now is 107.4 secs Computing kpt #: 274 total cpu time spent up to now is 107.6 secs Computing kpt #: 275 total cpu time spent up to now is 107.8 secs Computing kpt #: 276 total cpu time spent up to now is 109.0 secs Computing kpt #: 277 total cpu time spent up to now is 109.2 secs Computing kpt #: 278 total cpu time spent up to now is 109.4 secs Computing kpt #: 279 total cpu time spent up to now is 109.5 secs Computing kpt #: 280 total cpu time spent up to now is 109.7 secs Computing kpt #: 281 total cpu time spent up to now is 109.9 secs Computing kpt #: 282 total cpu time spent up to now is 110.1 secs Computing kpt #: 283 total cpu time spent up to now is 110.3 secs Computing kpt #: 284 total cpu time spent up to now is 110.4 secs Computing kpt #: 285 total cpu time spent up to now is 110.5 secs Computing kpt #: 286 total cpu time spent up to now is 110.7 secs Computing kpt #: 287 total cpu time spent up to now is 110.8 secs Computing kpt #: 288 total cpu time spent up to now is 111.0 secs Computing kpt #: 289 total cpu time spent up to now is 111.1 secs Computing kpt #: 290 total cpu time spent up to now is 111.3 secs Computing kpt #: 291 total cpu time spent up to now is 111.7 secs Computing kpt #: 292 total cpu time spent up to now is 111.8 secs Computing kpt #: 293 total cpu time spent up to now is 112.0 secs Computing kpt #: 294 total cpu time spent up to now is 112.2 secs Computing kpt #: 295 total cpu time spent up to now is 112.5 secs Computing kpt #: 296 total cpu time spent up to now is 112.7 secs Computing kpt #: 297 total cpu time spent up to now is 113.1 secs Computing kpt #: 298 total cpu time spent up to now is 113.7 secs Computing kpt #: 299 total cpu time spent up to now is 114.0 secs Computing kpt #: 300 total cpu time spent up to now is 114.5 secs Computing kpt #: 301 total cpu time spent up to now is 115.0 secs Computing kpt #: 302 total cpu time spent up to now is 115.2 secs Computing kpt #: 303 total cpu time spent up to now is 115.5 secs Computing kpt #: 304 total cpu time spent up to now is 115.7 secs Computing kpt #: 305 total cpu time spent up to now is 116.0 secs Computing kpt #: 306 total cpu time spent up to now is 116.3 secs Computing kpt #: 307 total cpu time spent up to now is 116.5 secs Computing kpt #: 308 total cpu time spent up to now is 116.8 secs Computing kpt #: 309 total cpu time spent up to now is 117.0 secs Computing kpt #: 310 total cpu time spent up to now is 117.3 secs Computing kpt #: 311 total cpu time spent up to now is 117.7 secs Computing kpt #: 312 total cpu time spent up to now is 118.3 secs Computing kpt #: 313 total cpu time spent up to now is 118.6 secs Computing kpt #: 314 total cpu time spent up to now is 119.1 secs Computing kpt #: 315 total cpu time spent up to now is 119.7 secs Computing kpt #: 316 total cpu time spent up to now is 119.9 secs Computing kpt #: 317 total cpu time spent up to now is 120.0 secs Computing kpt #: 318 total cpu time spent up to now is 120.2 secs Computing kpt #: 319 total cpu time spent up to now is 120.4 secs Computing kpt #: 320 total cpu time spent up to now is 120.6 secs Computing kpt #: 321 total cpu time spent up to now is 120.7 secs Computing kpt #: 322 total cpu time spent up to now is 121.0 secs Computing kpt #: 323 total cpu time spent up to now is 121.1 secs Computing kpt #: 324 total cpu time spent up to now is 121.3 secs Computing kpt #: 325 total cpu time spent up to now is 121.5 secs Computing kpt #: 326 total cpu time spent up to now is 121.7 secs Computing kpt #: 327 total cpu time spent up to now is 121.8 secs Computing kpt #: 328 total cpu time spent up to now is 122.0 secs Computing kpt #: 329 total cpu time spent up to now is 122.2 secs Computing kpt #: 330 total cpu time spent up to now is 122.4 secs Computing kpt #: 331 total cpu time spent up to now is 122.8 secs Computing kpt #: 332 total cpu time spent up to now is 123.0 secs Computing kpt #: 333 total cpu time spent up to now is 123.3 secs Computing kpt #: 334 total cpu time spent up to now is 123.5 secs Computing kpt #: 335 total cpu time spent up to now is 123.7 secs Computing kpt #: 336 total cpu time spent up to now is 124.1 secs Computing kpt #: 337 total cpu time spent up to now is 124.4 secs Computing kpt #: 338 total cpu time spent up to now is 124.6 secs Computing kpt #: 339 total cpu time spent up to now is 124.8 secs Computing kpt #: 340 total cpu time spent up to now is 125.1 secs Computing kpt #: 341 total cpu time spent up to now is 125.4 secs Computing kpt #: 342 total cpu time spent up to now is 125.6 secs Computing kpt #: 343 total cpu time spent up to now is 126.1 secs Computing kpt #: 344 total cpu time spent up to now is 126.6 secs Computing kpt #: 345 total cpu time spent up to now is 126.8 secs Computing kpt #: 346 total cpu time spent up to now is 127.4 secs Computing kpt #: 347 total cpu time spent up to now is 127.6 secs Computing kpt #: 348 total cpu time spent up to now is 127.9 secs Computing kpt #: 349 total cpu time spent up to now is 128.5 secs Computing kpt #: 350 total cpu time spent up to now is 128.8 secs Computing kpt #: 351 total cpu time spent up to now is 129.5 secs Computing kpt #: 352 total cpu time spent up to now is 130.2 secs Computing kpt #: 353 total cpu time spent up to now is 130.4 secs Computing kpt #: 354 total cpu time spent up to now is 130.6 secs Computing kpt #: 355 total cpu time spent up to now is 130.8 secs Computing kpt #: 356 total cpu time spent up to now is 131.0 secs Computing kpt #: 357 total cpu time spent up to now is 131.2 secs Computing kpt #: 358 total cpu time spent up to now is 131.4 secs Computing kpt #: 359 total cpu time spent up to now is 131.8 secs Computing kpt #: 360 total cpu time spent up to now is 131.9 secs Computing kpt #: 361 total cpu time spent up to now is 132.1 secs Computing kpt #: 362 total cpu time spent up to now is 132.3 secs Computing kpt #: 363 total cpu time spent up to now is 132.5 secs Computing kpt #: 364 total cpu time spent up to now is 132.7 secs Computing kpt #: 365 total cpu time spent up to now is 132.9 secs Computing kpt #: 366 total cpu time spent up to now is 133.1 secs Computing kpt #: 367 total cpu time spent up to now is 133.2 secs Computing kpt #: 368 total cpu time spent up to now is 133.4 secs Computing kpt #: 369 total cpu time spent up to now is 133.6 secs Computing kpt #: 370 total cpu time spent up to now is 133.8 secs Computing kpt #: 371 total cpu time spent up to now is 133.9 secs Computing kpt #: 372 total cpu time spent up to now is 134.4 secs Computing kpt #: 373 total cpu time spent up to now is 135.3 secs Computing kpt #: 374 total cpu time spent up to now is 135.8 secs Computing kpt #: 375 total cpu time spent up to now is 136.2 secs Computing kpt #: 376 total cpu time spent up to now is 136.3 secs Computing kpt #: 377 total cpu time spent up to now is 136.5 secs Computing kpt #: 378 total cpu time spent up to now is 136.7 secs Computing kpt #: 379 total cpu time spent up to now is 136.9 secs Computing kpt #: 380 total cpu time spent up to now is 137.0 secs Computing kpt #: 381 total cpu time spent up to now is 137.2 secs Computing kpt #: 382 total cpu time spent up to now is 137.4 secs Computing kpt #: 383 total cpu time spent up to now is 137.5 secs Computing kpt #: 384 total cpu time spent up to now is 137.7 secs Computing kpt #: 385 total cpu time spent up to now is 137.9 secs Computing kpt #: 386 total cpu time spent up to now is 138.0 secs Computing kpt #: 387 total cpu time spent up to now is 138.2 secs Computing kpt #: 388 total cpu time spent up to now is 138.3 secs Computing kpt #: 389 total cpu time spent up to now is 138.5 secs Computing kpt #: 390 total cpu time spent up to now is 138.7 secs Computing kpt #: 391 total cpu time spent up to now is 138.8 secs Computing kpt #: 392 total cpu time spent up to now is 139.0 secs Computing kpt #: 393 total cpu time spent up to now is 139.1 secs Computing kpt #: 394 total cpu time spent up to now is 139.3 secs Computing kpt #: 395 total cpu time spent up to now is 139.5 secs Computing kpt #: 396 total cpu time spent up to now is 139.8 secs Computing kpt #: 397 total cpu time spent up to now is 139.9 secs Computing kpt #: 398 total cpu time spent up to now is 140.3 secs Computing kpt #: 399 total cpu time spent up to now is 141.3 secs Computing kpt #: 400 total cpu time spent up to now is 141.6 secs Computing kpt #: 401 total cpu time spent up to now is 141.8 secs Computing kpt #: 402 total cpu time spent up to now is 141.9 secs Computing kpt #: 403 total cpu time spent up to now is 142.1 secs Computing kpt #: 404 total cpu time spent up to now is 142.2 secs Computing kpt #: 405 total cpu time spent up to now is 142.4 secs Computing kpt #: 406 total cpu time spent up to now is 142.5 secs Computing kpt #: 407 total cpu time spent up to now is 142.7 secs Computing kpt #: 408 total cpu time spent up to now is 142.8 secs Computing kpt #: 409 total cpu time spent up to now is 142.9 secs Computing kpt #: 410 total cpu time spent up to now is 143.1 secs Computing kpt #: 411 total cpu time spent up to now is 143.2 secs Computing kpt #: 412 total cpu time spent up to now is 143.4 secs Computing kpt #: 413 total cpu time spent up to now is 143.5 secs Computing kpt #: 414 total cpu time spent up to now is 143.7 secs Computing kpt #: 415 total cpu time spent up to now is 143.8 secs Computing kpt #: 416 total cpu time spent up to now is 144.0 secs Computing kpt #: 417 total cpu time spent up to now is 144.1 secs Computing kpt #: 418 total cpu time spent up to now is 144.3 secs Computing kpt #: 419 total cpu time spent up to now is 144.4 secs Computing kpt #: 420 total cpu time spent up to now is 144.6 secs Computing kpt #: 421 total cpu time spent up to now is 144.7 secs Computing kpt #: 422 total cpu time spent up to now is 144.9 secs Computing kpt #: 423 total cpu time spent up to now is 145.0 secs Computing kpt #: 424 total cpu time spent up to now is 145.2 secs Computing kpt #: 425 total cpu time spent up to now is 145.3 secs Computing kpt #: 426 total cpu time spent up to now is 146.1 secs Computing kpt #: 427 total cpu time spent up to now is 146.2 secs Computing kpt #: 428 total cpu time spent up to now is 146.4 secs Computing kpt #: 429 total cpu time spent up to now is 146.9 secs Computing kpt #: 430 total cpu time spent up to now is 147.1 secs Computing kpt #: 431 total cpu time spent up to now is 147.3 secs Computing kpt #: 432 total cpu time spent up to now is 147.6 secs Computing kpt #: 433 total cpu time spent up to now is 147.9 secs Computing kpt #: 434 total cpu time spent up to now is 148.1 secs Computing kpt #: 435 total cpu time spent up to now is 148.3 secs Computing kpt #: 436 total cpu time spent up to now is 148.7 secs Computing kpt #: 437 total cpu time spent up to now is 148.9 secs Computing kpt #: 438 total cpu time spent up to now is 149.1 secs Computing kpt #: 439 total cpu time spent up to now is 149.3 secs Computing kpt #: 440 total cpu time spent up to now is 149.6 secs Computing kpt #: 441 total cpu time spent up to now is 150.2 secs Computing kpt #: 442 total cpu time spent up to now is 150.4 secs Computing kpt #: 443 total cpu time spent up to now is 150.8 secs Computing kpt #: 444 total cpu time spent up to now is 151.1 secs Computing kpt #: 445 total cpu time spent up to now is 151.4 secs Computing kpt #: 446 total cpu time spent up to now is 151.7 secs Computing kpt #: 447 total cpu time spent up to now is 151.9 secs Computing kpt #: 448 total cpu time spent up to now is 152.1 secs Computing kpt #: 449 total cpu time spent up to now is 152.8 secs Computing kpt #: 450 total cpu time spent up to now is 153.2 secs Computing kpt #: 451 total cpu time spent up to now is 153.7 secs Computing kpt #: 452 total cpu time spent up to now is 154.1 secs Computing kpt #: 453 total cpu time spent up to now is 154.3 secs Computing kpt #: 454 total cpu time spent up to now is 154.4 secs Computing kpt #: 455 total cpu time spent up to now is 154.6 secs Computing kpt #: 456 total cpu time spent up to now is 154.8 secs Computing kpt #: 457 total cpu time spent up to now is 155.0 secs Computing kpt #: 458 total cpu time spent up to now is 155.1 secs Computing kpt #: 459 total cpu time spent up to now is 155.3 secs Computing kpt #: 460 total cpu time spent up to now is 155.5 secs Computing kpt #: 461 total cpu time spent up to now is 155.7 secs Computing kpt #: 462 total cpu time spent up to now is 155.9 secs Computing kpt #: 463 total cpu time spent up to now is 156.1 secs Computing kpt #: 464 total cpu time spent up to now is 156.3 secs Computing kpt #: 465 total cpu time spent up to now is 156.9 secs Computing kpt #: 466 total cpu time spent up to now is 157.1 secs Computing kpt #: 467 total cpu time spent up to now is 157.4 secs Computing kpt #: 468 total cpu time spent up to now is 157.6 secs Computing kpt #: 469 total cpu time spent up to now is 157.8 secs Computing kpt #: 470 total cpu time spent up to now is 158.1 secs Computing kpt #: 471 total cpu time spent up to now is 158.3 secs Computing kpt #: 472 total cpu time spent up to now is 158.6 secs Computing kpt #: 473 total cpu time spent up to now is 158.9 secs Computing kpt #: 474 total cpu time spent up to now is 159.1 secs Computing kpt #: 475 total cpu time spent up to now is 159.3 secs Computing kpt #: 476 total cpu time spent up to now is 159.6 secs Computing kpt #: 477 total cpu time spent up to now is 159.8 secs Computing kpt #: 478 total cpu time spent up to now is 160.0 secs Computing kpt #: 479 total cpu time spent up to now is 160.2 secs Computing kpt #: 480 total cpu time spent up to now is 160.5 secs Computing kpt #: 481 total cpu time spent up to now is 160.6 secs Computing kpt #: 482 total cpu time spent up to now is 160.8 secs Computing kpt #: 483 total cpu time spent up to now is 161.0 secs ethr = 7.14E-11, avg # of iterations = 16.5 total cpu time spent up to now is 161.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -6.0738 -6.0738 5.2408 5.2408 5.2408 5.2408 5.2754 5.2754 9.0408 9.0408 9.0408 9.0408 13.8743 13.8743 13.8743 13.8743 13.9313 13.9313 14.4651 14.4651 25.9936 25.9936 k = 0.0068-0.0039 0.0055 ( 725 PWs) bands (ev): -6.0731 -6.0731 5.2401 5.2401 5.2413 5.2413 5.2753 5.2753 9.0397 9.0397 9.0416 9.0416 13.8709 13.8709 13.8733 13.8733 13.9291 13.9291 14.4707 14.4707 25.9923 25.9923 k = 0.0135-0.0078 0.0110 ( 725 PWs) bands (ev): -6.0707 -6.0707 5.2379 5.2379 5.2424 5.2424 5.2751 5.2751 9.0378 9.0378 9.0425 9.0425 13.8615 13.8615 13.8693 13.8693 13.9230 13.9230 14.4872 14.4872 25.9885 25.9885 k = 0.0203-0.0117 0.0166 ( 725 PWs) bands (ev): -6.0667 -6.0667 5.2339 5.2339 5.2442 5.2442 5.2751 5.2751 9.0350 9.0350 9.0436 9.0436 13.8463 13.8463 13.8626 13.8626 13.9138 13.9138 14.5134 14.5134 25.9814 25.9814 k = 0.0270-0.0156 0.0221 ( 725 PWs) bands (ev): -6.0612 -6.0612 5.2276 5.2276 5.2467 5.2467 5.2760 5.2760 9.0313 9.0313 9.0450 9.0450 13.8258 13.8258 13.8532 13.8532 13.9022 13.9022 14.5479 14.5479 25.9703 25.9703 k = 0.0338-0.0195 0.0276 ( 725 PWs) bands (ev): -6.0541 -6.0541 5.2188 5.2188 5.2499 5.2499 5.2778 5.2778 9.0265 9.0265 9.0468 9.0468 13.8012 13.8012 13.8411 13.8411 13.8885 13.8885 14.5893 14.5893 25.9540 25.9540 k = 0.0405-0.0234 0.0331 ( 717 PWs) bands (ev): -6.0455 -6.0455 5.2075 5.2075 5.2542 5.2542 5.2810 5.2810 9.0208 9.0208 9.0491 9.0491 13.7735 13.7736 13.8265 13.8265 13.8728 13.8728 14.6364 14.6364 25.9308 25.9308 k = 0.0473-0.0273 0.0386 ( 717 PWs) bands (ev): -6.0353 -6.0353 5.1938 5.1938 5.2589 5.2589 5.2849 5.2849 9.0141 9.0141 9.0516 9.0516 13.7437 13.7437 13.8091 13.8091 13.8548 13.8548 14.6882 14.6882 25.8997 25.8997 k = 0.0541-0.0312 0.0441 ( 717 PWs) bands (ev): -6.0236 -6.0236 5.1777 5.1777 5.2643 5.2643 5.2898 5.2898 9.0063 9.0063 9.0546 9.0546 13.7125 13.7125 13.7891 13.7891 13.8345 13.8345 14.7441 14.7441 25.8602 25.8602 k = 0.0608-0.0351 0.0497 ( 717 PWs) bands (ev): -6.0104 -6.0104 5.1596 5.1596 5.2704 5.2704 5.2955 5.2955 8.9975 8.9975 9.0579 9.0579 13.6803 13.6803 13.7666 13.7666 13.8118 13.8118 14.8035 14.8035 25.8130 25.8130 k = 0.0676-0.0390 0.0552 ( 709 PWs) bands (ev): -5.9956 -5.9956 5.1395 5.1395 5.2776 5.2776 5.3024 5.3024 8.9881 8.9881 9.0616 9.0616 13.6475 13.6475 13.7416 13.7416 13.7868 13.7868 14.8660 14.8660 25.7588 25.7588 k = 0.0743-0.0429 0.0607 ( 709 PWs) bands (ev): -5.9794 -5.9794 5.1174 5.1174 5.2851 5.2851 5.3097 5.3097 8.9775 8.9775 9.0656 9.0656 13.6142 13.6143 13.7140 13.7140 13.7594 13.7594 14.9312 14.9312 25.6990 25.6990 k = 0.0811-0.0468 0.0662 ( 709 PWs) bands (ev): -5.9617 -5.9617 5.0935 5.0935 5.2934 5.2934 5.3179 5.3179 8.9659 8.9659 9.0700 9.0700 13.5807 13.5807 13.6840 13.6840 13.7296 13.7296 14.9989 14.9989 25.6345 25.6345 k = 0.0878-0.0507 0.0717 ( 709 PWs) bands (ev): -5.9426 -5.9426 5.0680 5.0680 5.3025 5.3025 5.3268 5.3268 8.9535 8.9535 9.0747 9.0747 13.5468 13.5468 13.6515 13.6515 13.6975 13.6975 15.0688 15.0688 25.5661 25.5661 k = 0.0946-0.0546 0.0772 ( 697 PWs) bands (ev): -5.9220 -5.9220 5.0410 5.0410 5.3126 5.3126 5.3369 5.3369 8.9402 8.9402 9.0801 9.0801 13.5127 13.5127 13.6169 13.6169 13.6634 13.6634 15.1408 15.1408 25.4948 25.4948 k = 0.1014-0.0585 0.0828 ( 697 PWs) bands (ev): -5.9001 -5.9001 5.0127 5.0127 5.3230 5.3230 5.3473 5.3473 8.9260 8.9260 9.0854 9.0854 13.4782 13.4782 13.5799 13.5799 13.6268 13.6268 15.2145 15.2145 25.4211 25.4211 k = 0.1081-0.0624 0.0883 ( 697 PWs) bands (ev): -5.8768 -5.8768 4.9828 4.9828 5.3342 5.3342 5.3585 5.3585 8.9112 8.9112 9.0912 9.0912 13.4433 13.4433 13.5406 13.5406 13.5881 13.5881 15.2898 15.2898 25.3456 25.3456 k = 0.1149-0.0663 0.0938 ( 697 PWs) bands (ev): -5.8521 -5.8521 4.9518 4.9518 5.3462 5.3462 5.3705 5.3705 8.8956 8.8956 9.0972 9.0972 13.4078 13.4078 13.4991 13.4991 13.5472 13.5472 15.3666 15.3666 25.2689 25.2689 k = 0.1216-0.0702 0.0993 ( 697 PWs) bands (ev): -5.8262 -5.8262 4.9196 4.9196 5.3588 5.3588 5.3832 5.3832 8.8793 8.8793 9.1035 9.1035 13.3716 13.3716 13.4557 13.4557 13.5044 13.5044 15.4447 15.4447 25.1914 25.1914 k = 0.1284-0.0741 0.1048 ( 697 PWs) bands (ev): -5.7990 -5.7990 4.8864 4.8864 5.3722 5.3722 5.3966 5.3966 8.8624 8.8624 9.1102 9.1102 13.3345 13.3345 13.4103 13.4103 13.4597 13.4597 15.5239 15.5239 25.1135 25.1135 k = 0.1351-0.0780 0.1103 ( 697 PWs) bands (ev): -5.7705 -5.7705 4.8524 4.8524 5.3863 5.3863 5.4107 5.4107 8.8448 8.8448 9.1171 9.1171 13.2963 13.2963 13.3632 13.3632 13.4132 13.4132 15.6040 15.6040 25.0356 25.0356 k = 0.1419-0.0819 0.1159 ( 697 PWs) bands (ev): -5.7409 -5.7409 4.8177 4.8177 5.4012 5.4012 5.4256 5.4256 8.8267 8.8267 9.1242 9.1242 13.2565 13.2565 13.3145 13.3145 13.3651 13.3651 15.6848 15.6848 24.9580 24.9580 k = 0.1486-0.0858 0.1214 ( 693 PWs) bands (ev): -5.7101 -5.7101 4.7823 4.7823 5.4168 5.4168 5.4413 5.4413 8.8085 8.8085 9.1317 9.1317 13.2148 13.2148 13.2647 13.2647 13.3158 13.3158 15.7662 15.7662 24.8810 24.8810 k = 0.1554-0.0897 0.1269 ( 693 PWs) bands (ev): -5.6782 -5.6782 4.7463 4.7463 5.4330 5.4331 5.4577 5.4577 8.7894 8.7894 9.1394 9.1394 13.1704 13.1704 13.2139 13.2139 13.2655 13.2655 15.8480 15.8480 24.8048 24.8048 k = 0.1622-0.0936 0.1324 ( 693 PWs) bands (ev): -5.6453 -5.6453 4.7100 4.7100 5.4500 5.4501 5.4747 5.4747 8.7699 8.7699 9.1473 9.1473 13.1226 13.1226 13.1626 13.1626 13.2146 13.2146 15.9300 15.9300 24.7297 24.7297 k = 0.1689-0.0975 0.1379 ( 693 PWs) bands (ev): -5.6113 -5.6113 4.6733 4.6733 5.4677 5.4678 5.4925 5.4925 8.7501 8.7501 9.1554 9.1554 13.0711 13.0711 13.1105 13.1105 13.1638 13.1638 16.0120 16.0120 24.6558 24.6558 k = 0.1757-0.1014 0.1434 ( 697 PWs) bands (ev): -5.5763 -5.5763 4.6364 4.6364 5.4862 5.4862 5.5110 5.5110 8.7296 8.7296 9.1637 9.1637 13.0161 13.0162 13.0571 13.0571 13.1134 13.1134 16.0938 16.0938 24.5834 24.5834 k = 0.1824-0.1053 0.1490 ( 697 PWs) bands (ev): -5.5405 -5.5405 4.5994 4.5994 5.5053 5.5053 5.5302 5.5302 8.7092 8.7092 9.1723 9.1723 12.9584 12.9584 13.0016 13.0016 13.0637 13.0637 16.1753 16.1753 24.5125 24.5125 k = 0.1892-0.1092 0.1545 ( 697 PWs) bands (ev): -5.5037 -5.5037 4.5624 4.5624 5.5251 5.5251 5.5501 5.5501 8.6887 8.6887 9.1810 9.1810 12.8984 12.8984 12.9438 12.9438 13.0143 13.0143 16.2562 16.2562 24.4432 24.4432 k = 0.1959-0.1131 0.1600 ( 693 PWs) bands (ev): -5.4662 -5.4662 4.5255 4.5255 5.5457 5.5457 5.5708 5.5708 8.6681 8.6681 9.1899 9.1899 12.8366 12.8367 12.8839 12.8839 12.9649 12.9649 16.3364 16.3364 24.3756 24.3756 k = 0.2027-0.1170 0.1655 ( 693 PWs) bands (ev): -5.4279 -5.4279 4.4887 4.4887 5.5669 5.5669 5.5920 5.5920 8.6474 8.6474 9.1989 9.1989 12.7733 12.7733 12.8221 12.8221 12.9149 12.9149 16.4157 16.4157 24.3098 24.3098 k = 0.2095-0.1209 0.1710 ( 697 PWs) bands (ev): -5.3890 -5.3890 4.4523 4.4523 5.5887 5.5887 5.6139 5.6139 8.6267 8.6267 9.2078 9.2078 12.7085 12.7085 12.7587 12.7587 12.8639 12.8639 16.4939 16.4939 24.2458 24.2458 k = 0.2162-0.1248 0.1765 ( 697 PWs) bands (ev): -5.3493 -5.3493 4.4161 4.4161 5.6112 5.6112 5.6365 5.6365 8.6062 8.6062 9.2170 9.2170 12.6426 12.6426 12.6940 12.6940 12.8119 12.8119 16.5708 16.5708 24.1835 24.1835 k = 0.2230-0.1287 0.1821 ( 697 PWs) bands (ev): -5.3092 -5.3092 4.3804 4.3804 5.6343 5.6343 5.6597 5.6597 8.5858 8.5858 9.2264 9.2264 12.5757 12.5757 12.6281 12.6281 12.7585 12.7585 16.6462 16.6462 24.1230 24.1230 k = 0.2297-0.1326 0.1876 ( 705 PWs) bands (ev): -5.2685 -5.2685 4.3452 4.3452 5.6579 5.6579 5.6833 5.6833 8.5654 8.5654 9.2358 9.2358 12.5076 12.5076 12.5609 12.5609 12.7034 12.7034 16.7200 16.7200 24.0640 24.0640 k = 0.2365-0.1365 0.1931 ( 713 PWs) bands (ev): -5.2274 -5.2274 4.3106 4.3106 5.6821 5.6821 5.7075 5.7075 8.5453 8.5453 9.2452 9.2452 12.4389 12.4389 12.4931 12.4931 12.6467 12.6467 16.7920 16.7920 24.0065 24.0065 k = 0.2432-0.1404 0.1986 ( 713 PWs) bands (ev): -5.1860 -5.1860 4.2766 4.2766 5.7071 5.7071 5.7325 5.7325 8.5257 8.5257 9.2548 9.2548 12.3695 12.3696 12.4246 12.4246 12.5886 12.5886 16.8621 16.8621 23.9505 23.9505 k = 0.2500-0.1443 0.2041 ( 713 PWs) bands (ev): -5.1442 -5.1442 4.2433 4.2433 5.7326 5.7326 5.7581 5.7581 8.5066 8.5066 9.2643 9.2643 12.2997 12.2997 12.3555 12.3555 12.5289 12.5289 16.9302 16.9302 23.8956 23.8956 k = 0.2568-0.1482 0.2096 ( 713 PWs) bands (ev): -5.1023 -5.1023 4.2108 4.2108 5.7587 5.7587 5.7842 5.7842 8.4880 8.4880 9.2739 9.2739 12.2294 12.2294 12.2859 12.2859 12.4674 12.4675 16.9960 16.9960 23.8418 23.8418 k = 0.2635-0.1521 0.2152 ( 713 PWs) bands (ev): -5.0601 -5.0601 4.1791 4.1791 5.7853 5.7853 5.8108 5.8108 8.4700 8.4700 9.2835 9.2835 12.1587 12.1587 12.2159 12.2159 12.4043 12.4044 17.0596 17.0596 23.7889 23.7889 k = 0.2703-0.1560 0.2207 ( 709 PWs) bands (ev): -5.0180 -5.0180 4.1483 4.1483 5.8125 5.8125 5.8379 5.8379 8.4528 8.4528 9.2930 9.2930 12.0879 12.0879 12.1457 12.1457 12.3396 12.3396 17.1208 17.1208 23.7366 23.7366 k = 0.2770-0.1599 0.2262 ( 709 PWs) bands (ev): -4.9758 -4.9758 4.1184 4.1184 5.8400 5.8401 5.8655 5.8655 8.4361 8.4361 9.3025 9.3025 12.0168 12.0169 12.0753 12.0753 12.2733 12.2733 17.1795 17.1795 23.6849 23.6849 k = 0.2838-0.1638 0.2317 ( 709 PWs) bands (ev): -4.9338 -4.9338 4.0894 4.0894 5.8681 5.8681 5.8934 5.8934 8.4201 8.4201 9.3120 9.3120 11.9458 11.9458 12.0050 12.0050 12.2055 12.2055 17.2357 17.2357 23.6336 23.6336 k = 0.2905-0.1677 0.2372 ( 709 PWs) bands (ev): -4.8919 -4.8919 4.0614 4.0614 5.8965 5.8965 5.9218 5.9218 8.4050 8.4050 9.3213 9.3213 11.8749 11.8749 11.9347 11.9347 12.1363 12.1363 17.2893 17.2893 23.5828 23.5828 k = 0.2973-0.1716 0.2427 ( 709 PWs) bands (ev): -4.8502 -4.8502 4.0344 4.0344 5.9252 5.9252 5.9504 5.9504 8.3908 8.3908 9.3306 9.3306 11.8042 11.8042 11.8646 11.8646 12.0657 12.0657 17.3403 17.3403 23.5323 23.5323 k = 0.3041-0.1755 0.2483 ( 709 PWs) bands (ev): -4.8089 -4.8089 4.0085 4.0085 5.9543 5.9543 5.9794 5.9794 8.3775 8.3775 9.3398 9.3398 11.7337 11.7338 11.7948 11.7948 11.9939 11.9939 17.3886 17.3886 23.4823 23.4823 k = 0.3108-0.1794 0.2538 ( 709 PWs) bands (ev): -4.7680 -4.7680 3.9836 3.9836 5.9837 5.9837 6.0085 6.0085 8.3652 8.3652 9.3488 9.3488 11.6637 11.6638 11.7255 11.7255 11.9211 11.9211 17.4343 17.4343 23.4329 23.4329 k = 0.3176-0.1833 0.2593 ( 709 PWs) bands (ev): -4.7276 -4.7276 3.9598 3.9598 6.0132 6.0132 6.0379 6.0379 8.3540 8.3540 9.3577 9.3577 11.5943 11.5943 11.6568 11.6568 11.8473 11.8473 17.4775 17.4775 23.3841 23.3841 k = 0.3243-0.1872 0.2648 ( 709 PWs) bands (ev): -4.6878 -4.6878 3.9371 3.9371 6.0429 6.0429 6.0674 6.0674 8.3439 8.3439 9.3665 9.3665 11.5254 11.5254 11.5888 11.5888 11.7728 11.7728 17.5180 17.5180 23.3363 23.3363 k = 0.3311-0.1911 0.2703 ( 717 PWs) bands (ev): -4.6486 -4.6486 3.9154 3.9154 6.0726 6.0726 6.0968 6.0969 8.3348 8.3348 9.3749 9.3749 11.4571 11.4571 11.5213 11.5213 11.6977 11.6977 17.5560 17.5560 23.2895 23.2895 k = 0.3378-0.1951 0.2758 ( 713 PWs) bands (ev): -4.6102 -4.6102 3.8950 3.8950 6.1026 6.1026 6.1265 6.1265 8.3272 8.3272 9.3832 9.3832 11.3898 11.3898 11.4551 11.4551 11.6224 11.6224 17.5916 17.5916 23.2440 23.2440 k = 0.3446-0.1990 0.2814 ( 705 PWs) bands (ev): -4.5726 -4.5726 3.8758 3.8758 6.1325 6.1325 6.1561 6.1561 8.3210 8.3210 9.3915 9.3915 11.3235 11.3235 11.3899 11.3899 11.5470 11.5470 17.6248 17.6248 23.1999 23.1999 k = 0.3514-0.2029 0.2869 ( 701 PWs) bands (ev): -4.5359 -4.5359 3.8575 3.8575 6.1623 6.1623 6.1855 6.1855 8.3157 8.3157 9.3994 9.3994 11.2583 11.2583 11.3260 11.3260 11.4718 11.4718 17.6556 17.6556 23.1573 23.1573 k = 0.3581-0.2068 0.2924 ( 701 PWs) bands (ev): -4.5003 -4.5003 3.8403 3.8403 6.1918 6.1918 6.2145 6.2145 8.3117 8.3117 9.4072 9.4072 11.1940 11.1940 11.2633 11.2633 11.3970 11.3970 17.6843 17.6843 23.1165 23.1165 k = 0.3649-0.2107 0.2979 ( 701 PWs) bands (ev): -4.4656 -4.4656 3.8242 3.8242 6.2210 6.2210 6.2433 6.2433 8.3089 8.3089 9.4146 9.4146 11.1309 11.1309 11.2021 11.2021 11.3229 11.3229 17.7108 17.7108 23.0775 23.0775 k = 0.3716-0.2146 0.3034 ( 701 PWs) bands (ev): -4.4322 -4.4322 3.8091 3.8091 6.2499 6.2499 6.2716 6.2716 8.3074 8.3074 9.4219 9.4219 11.0690 11.0690 11.1424 11.1424 11.2500 11.2500 17.7352 17.7352 23.0403 23.0403 k = 0.3784-0.2185 0.3089 ( 701 PWs) bands (ev): -4.3999 -4.3999 3.7950 3.7950 6.2783 6.2783 6.2995 6.2995 8.3071 8.3071 9.4288 9.4288 11.0084 11.0084 11.0846 11.0846 11.1785 11.1785 17.7577 17.7577 23.0051 23.0051 k = 0.3851-0.2224 0.3145 ( 700 PWs) bands (ev): -4.3689 -4.3689 3.7820 3.7820 6.3062 6.3062 6.3267 6.3267 8.3081 8.3081 9.4354 9.4354 10.9489 10.9489 11.0286 11.0286 11.1091 11.1091 17.7784 17.7784 22.9719 22.9719 k = 0.3919-0.2263 0.3200 ( 700 PWs) bands (ev): -4.3393 -4.3393 3.7699 3.7699 6.3334 6.3334 6.3532 6.3532 8.3102 8.3102 9.4418 9.4418 10.8907 10.8907 10.9746 10.9746 11.0421 11.0421 17.7973 17.7973 22.9407 22.9407 k = 0.3986-0.2302 0.3255 ( 700 PWs) bands (ev): -4.3112 -4.3112 3.7588 3.7588 6.3598 6.3598 6.3788 6.3788 8.3133 8.3133 9.4478 9.4478 10.8335 10.8336 10.9227 10.9227 10.9780 10.9780 17.8145 17.8145 22.9115 22.9115 k = 0.4054-0.2341 0.3310 ( 700 PWs) bands (ev): -4.2845 -4.2845 3.7487 3.7487 6.3854 6.3854 6.4035 6.4035 8.3175 8.3175 9.4535 9.4535 10.7776 10.7776 10.8731 10.8732 10.9173 10.9173 17.8302 17.8302 22.8843 22.8843 k = 0.4122-0.2380 0.3365 ( 700 PWs) bands (ev): -4.2593 -4.2593 3.7394 3.7394 6.4099 6.4099 6.4272 6.4272 8.3226 8.3226 9.4589 9.4589 10.7228 10.7228 10.8259 10.8259 10.8606 10.8606 17.8444 17.8444 22.8592 22.8592 k = 0.4189-0.2419 0.3420 ( 708 PWs) bands (ev): -4.2358 -4.2358 3.7308 3.7308 6.4333 6.4333 6.4496 6.4496 8.3283 8.3283 9.4640 9.4640 10.6691 10.6691 10.7810 10.7810 10.8080 10.8080 17.8572 17.8572 22.8360 22.8360 k = 0.4257-0.2458 0.3476 ( 708 PWs) bands (ev): -4.2140 -4.2140 3.7232 3.7232 6.4555 6.4555 6.4707 6.4707 8.3349 8.3349 9.4687 9.4687 10.6171 10.6172 10.7387 10.7387 10.7603 10.7603 17.8687 17.8687 22.8148 22.8148 k = 0.4324-0.2497 0.3531 ( 708 PWs) bands (ev): -4.1939 -4.1939 3.7164 3.7164 6.4763 6.4764 6.4905 6.4905 8.3418 8.3418 9.4730 9.4730 10.5673 10.5673 10.6990 10.6990 10.7173 10.7174 17.8790 17.8790 22.7956 22.7956 k = 0.4392-0.2536 0.3586 ( 708 PWs) bands (ev): -4.1755 -4.1755 3.7104 3.7104 6.4957 6.4957 6.5087 6.5087 8.3491 8.3491 9.4769 9.4769 10.5200 10.5200 10.6622 10.6622 10.6791 10.6791 17.8881 17.8881 22.7783 22.7783 k = 0.4459-0.2575 0.3641 ( 708 PWs) bands (ev): -4.1590 -4.1590 3.7051 3.7051 6.5135 6.5135 6.5253 6.5253 8.3565 8.3565 9.4805 9.4805 10.4758 10.4758 10.6285 10.6285 10.6452 10.6452 17.8960 17.8960 22.7630 22.7630 k = 0.4527-0.2614 0.3696 ( 708 PWs) bands (ev): -4.1443 -4.1443 3.7005 3.7005 6.5296 6.5296 6.5401 6.5401 8.3637 8.3637 9.4837 9.4837 10.4353 10.4353 10.5983 10.5983 10.6155 10.6155 17.9029 17.9029 22.7495 22.7495 k = 0.4595-0.2653 0.3751 ( 708 PWs) bands (ev): -4.1315 -4.1315 3.6965 3.6965 6.5439 6.5439 6.5530 6.5530 8.3706 8.3706 9.4865 9.4865 10.3990 10.3990 10.5719 10.5719 10.5898 10.5898 17.9088 17.9088 22.7378 22.7378 k = 0.4662-0.2692 0.3807 ( 708 PWs) bands (ev): -4.1206 -4.1206 3.6933 3.6933 6.5563 6.5563 6.5640 6.5640 8.3769 8.3769 9.4889 9.4889 10.3674 10.3674 10.5494 10.5494 10.5679 10.5679 17.9137 17.9137 22.7280 22.7280 k = 0.4730-0.2731 0.3862 ( 708 PWs) bands (ev): -4.1117 -4.1117 3.6906 3.6906 6.5667 6.5667 6.5730 6.5730 8.3824 8.3824 9.4909 9.4909 10.3409 10.3409 10.5309 10.5309 10.5500 10.5500 17.9177 17.9177 22.7200 22.7200 k = 0.4797-0.2770 0.3917 ( 708 PWs) bands (ev): -4.1047 -4.1047 3.6886 3.6886 6.5751 6.5751 6.5799 6.5799 8.3869 8.3869 9.4924 9.4924 10.3200 10.3200 10.5164 10.5164 10.5360 10.5360 17.9208 17.9208 22.7138 22.7138 k = 0.4865-0.2809 0.3972 ( 700 PWs) bands (ev): -4.0997 -4.0997 3.6872 3.6872 6.5814 6.5814 6.5849 6.5849 8.3903 8.3903 9.4940 9.4940 10.3048 10.3048 10.5061 10.5061 10.5260 10.5260 17.9230 17.9230 22.7094 22.7094 k = 0.4932-0.2848 0.4027 ( 692 PWs) bands (ev): -4.0966 -4.0966 3.6864 3.6864 6.5854 6.5854 6.5876 6.5876 8.3926 8.3926 9.4948 9.4948 10.2956 10.2956 10.5001 10.5001 10.5203 10.5203 17.9243 17.9243 22.7067 22.7067 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -4.0956 -4.0956 3.6861 3.6861 6.5869 6.5869 6.5884 6.5884 8.3933 8.3933 9.4950 9.4950 10.2925 10.2925 10.4981 10.4981 10.5183 10.5183 17.9247 17.9247 22.7058 22.7058 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -4.0956 -4.0956 3.6861 3.6861 6.5869 6.5869 6.5884 6.5884 8.3933 8.3933 9.4950 9.4950 10.2925 10.2925 10.4981 10.4981 10.5183 10.5183 17.9247 17.9247 22.7058 22.7058 k = 0.5000-0.2809 0.4138 ( 696 PWs) bands (ev): -4.0960 -4.0952 3.6868 3.6872 6.5856 6.5863 6.5879 6.5881 8.3924 8.3936 9.4912 9.4969 10.2628 10.3088 10.4749 10.5057 10.5247 10.5411 17.9266 17.9277 22.7060 22.7075 k = 0.5000-0.2731 0.4193 ( 704 PWs) bands (ev): -4.0965 -4.0949 3.6895 3.6903 6.5817 6.5842 6.5870 6.5884 8.3907 8.3931 9.4863 9.4977 10.2269 10.3033 10.4661 10.5013 10.5382 10.5821 17.9334 17.9357 22.7080 22.7110 k = 0.5000-0.2653 0.4248 ( 704 PWs) bands (ev): -4.0969 -4.0945 3.6942 3.6954 6.5755 6.5796 6.5866 6.5889 8.3888 8.3923 9.4800 9.4973 10.1885 10.2783 10.4695 10.4970 10.5601 10.6266 17.9451 17.9486 22.7117 22.7162 k = 0.5000-0.2575 0.4303 ( 708 PWs) bands (ev): -4.0973 -4.0941 3.7007 3.7023 6.5670 6.5724 6.5864 6.5895 8.3862 8.3909 9.4719 9.4953 10.1495 10.2431 10.4753 10.4927 10.5901 10.6722 17.9617 17.9663 22.7173 22.7233 k = 0.5000-0.2497 0.4358 ( 708 PWs) bands (ev): -4.0977 -4.0936 3.7092 3.7113 6.5565 6.5631 6.5863 6.5902 8.3832 8.3891 9.4623 9.4922 10.1110 10.2040 10.4796 10.4884 10.6261 10.7184 17.9831 17.9888 22.7246 22.7320 k = 0.5000-0.2419 0.4413 ( 708 PWs) bands (ev): -4.0981 -4.0932 3.7196 3.7221 6.5438 6.5517 6.5863 6.5910 8.3797 8.3867 9.4511 9.4876 10.0737 10.1639 10.4821 10.4840 10.6654 10.7644 18.0092 18.0160 22.7336 22.7424 k = 0.5000-0.2341 0.4469 ( 712 PWs) bands (ev): -4.0985 -4.0929 3.7318 3.7347 6.5289 6.5380 6.5863 6.5918 8.3756 8.3836 9.4379 9.4815 10.0381 10.1241 10.4793 10.4832 10.7064 10.8100 18.0400 18.0477 22.7442 22.7544 k = 0.5000-0.2263 0.4524 ( 712 PWs) bands (ev): -4.0989 -4.0925 3.7460 3.7493 6.5118 6.5221 6.5864 6.5927 8.3712 8.3803 9.4228 9.4738 10.0046 10.0856 10.4746 10.4833 10.7482 10.8551 18.0753 18.0840 22.7563 22.7679 k = 0.5000-0.2185 0.4579 ( 716 PWs) bands (ev): -4.0993 -4.0921 3.7619 3.7657 6.4927 6.5040 6.5865 6.5935 8.3662 8.3763 9.4058 9.4643 9.9734 10.0488 10.4696 10.4826 10.7899 10.8993 18.1150 18.1246 22.7699 22.7829 k = 0.5000-0.2107 0.4634 ( 716 PWs) bands (ev): -4.0997 -4.0917 3.7796 3.7838 6.4715 6.4837 6.5867 6.5945 8.3610 8.3721 9.3868 9.4530 9.9449 10.0143 10.4646 10.4814 10.8313 10.9426 18.1590 18.1693 22.7849 22.7991 k = 0.5000-0.2029 0.4689 ( 716 PWs) bands (ev): -4.1001 -4.0914 3.7991 3.8038 6.4482 6.4614 6.5870 6.5955 8.3555 8.3676 9.3660 9.4399 9.9191 9.9823 10.4594 10.4797 10.8720 10.9848 18.2070 18.2181 22.8012 22.8166 k = 0.5000-0.1951 0.4745 ( 716 PWs) bands (ev): -4.1004 -4.0910 3.8203 3.8255 6.4229 6.4369 6.5873 6.5966 8.3497 8.3627 9.3436 9.4249 9.8960 9.9530 10.4540 10.4776 10.9119 11.0259 18.2589 18.2707 22.8186 22.8353 k = 0.5000-0.1872 0.4800 ( 716 PWs) bands (ev): -4.1008 -4.0906 3.8432 3.8488 6.3957 6.4103 6.5877 6.5976 8.3437 8.3575 9.3197 9.4081 9.8755 9.9265 10.4486 10.4752 10.9508 11.0657 18.3146 18.3269 22.8371 22.8549 k = 0.5000-0.1794 0.4855 ( 716 PWs) bands (ev): -4.1011 -4.0903 3.8676 3.8738 6.3665 6.3818 6.5881 6.5988 8.3374 8.3521 9.2947 9.3897 9.8575 9.9029 10.4431 10.4725 10.9885 11.1042 18.3736 18.3864 22.8565 22.8754 k = 0.5000-0.1716 0.4910 ( 710 PWs) bands (ev): -4.1014 -4.0899 3.8937 3.9003 6.3356 6.3514 6.5886 6.6000 8.3312 8.3466 9.2690 9.3698 9.8418 9.8822 10.4378 10.4697 11.0250 11.1413 18.4359 18.4491 22.8767 22.8967 k = 0.5000-0.1638 0.4965 ( 710 PWs) bands (ev): -4.1017 -4.0895 3.9211 3.9283 6.3029 6.3191 6.5891 6.6011 8.3246 8.3408 9.2427 9.3487 9.8281 9.8640 10.4323 10.4666 11.0601 11.1769 18.5011 18.5146 22.8976 22.9186 k = 0.5000-0.1560 0.5020 ( 710 PWs) bands (ev): -4.1020 -4.0892 3.9500 3.9577 6.2686 6.2850 6.5896 6.6022 8.3180 8.3349 9.2162 9.3267 9.8162 9.8483 10.4268 10.4633 11.0938 11.2111 18.5689 18.5826 22.9190 22.9409 k = 0.5000-0.1482 0.5076 ( 708 PWs) bands (ev): -4.1023 -4.0889 3.9801 3.9884 6.2328 6.2494 6.5901 6.6034 8.3114 8.3289 9.1899 9.3042 9.8060 9.8348 10.4215 10.4600 11.1261 11.2436 18.6389 18.6528 22.9408 22.9636 k = 0.5000-0.1404 0.5131 ( 708 PWs) bands (ev): -4.1026 -4.0886 4.0114 4.0203 6.1956 6.2123 6.5906 6.6045 8.3047 8.3229 9.1640 9.2814 9.7971 9.8232 10.4161 10.4566 11.1568 11.2746 18.7109 18.7248 22.9629 22.9865 k = 0.5000-0.1326 0.5186 ( 712 PWs) bands (ev): -4.1029 -4.0883 4.0438 4.0532 6.1572 6.1738 6.5910 6.6055 8.2980 8.3167 9.1387 9.2586 9.7893 9.8132 10.4109 10.4531 11.1860 11.3040 18.7844 18.7982 22.9851 23.0095 k = 0.5000-0.1248 0.5241 ( 710 PWs) bands (ev): -4.1031 -4.0880 4.0771 4.0871 6.1178 6.1343 6.5916 6.6066 8.2916 8.3109 9.1143 9.2362 9.7826 9.8048 10.4059 10.4497 11.2136 11.3319 18.8590 18.8726 23.0072 23.0324 k = 0.5000-0.1170 0.5296 ( 712 PWs) bands (ev): -4.1034 -4.0878 4.1112 4.1219 6.0776 6.0938 6.5921 6.6076 8.2853 8.3050 9.0908 9.2144 9.7767 9.7975 10.4010 10.4463 11.2396 11.3580 18.9341 18.9475 23.0291 23.0550 k = 0.5000-0.1092 0.5351 ( 712 PWs) bands (ev): -4.1036 -4.0875 4.1458 4.1572 6.0368 6.0526 6.5926 6.6086 8.2792 8.2994 9.0685 9.1933 9.7717 9.7914 10.3963 10.4429 11.2640 11.3825 19.0094 19.0224 23.0506 23.0772 k = 0.5000-0.1014 0.5407 ( 708 PWs) bands (ev): -4.1038 -4.0873 4.1810 4.1930 5.9957 6.0111 6.5931 6.6097 8.2735 8.2941 9.0476 9.1733 9.7675 9.7863 10.3919 10.4397 11.2867 11.4053 19.0842 19.0968 23.0717 23.0989 k = 0.5000-0.0936 0.5462 ( 708 PWs) bands (ev): -4.1040 -4.0870 4.2162 4.2290 5.9545 5.9694 6.5936 6.6106 8.2678 8.2888 9.0279 9.1543 9.7637 9.7819 10.3876 10.4366 11.3077 11.4264 19.1579 19.1699 23.0920 23.1198 k = 0.5000-0.0858 0.5517 ( 708 PWs) bands (ev): -4.1041 -4.0868 4.2513 4.2648 5.9137 5.9280 6.5940 6.6114 8.2625 8.2838 9.0098 9.1366 9.7605 9.7782 10.3837 10.4337 11.3271 11.4458 19.2298 19.2413 23.1115 23.1399 k = 0.5000-0.0780 0.5572 ( 712 PWs) bands (ev): -4.1043 -4.0867 4.2860 4.3003 5.8735 5.8872 6.5944 6.6122 8.2573 8.2790 8.9930 9.1202 9.7578 9.7751 10.3798 10.4308 11.3448 11.4635 19.2993 19.3102 23.1300 23.1589 k = 0.5000-0.0702 0.5627 ( 712 PWs) bands (ev): -4.1045 -4.0865 4.3199 4.3349 5.8345 5.8475 6.5948 6.6130 8.2527 8.2746 8.9778 9.1052 9.7554 9.7725 10.3764 10.4282 11.3608 11.4795 19.3657 19.3758 23.1474 23.1767 k = 0.5000-0.0624 0.5682 ( 712 PWs) bands (ev): -4.1046 -4.0864 4.3525 4.3684 5.7971 5.8093 6.5952 6.6137 8.2485 8.2707 8.9642 9.0917 9.7534 9.7703 10.3734 10.4258 11.3751 11.4938 19.4280 19.4375 23.1634 23.1931 k = 0.5000-0.0546 0.5738 ( 712 PWs) bands (ev): -4.1048 -4.0862 4.3835 4.4001 5.7618 5.7733 6.5955 6.6143 8.2448 8.2671 8.9522 9.0798 9.7517 9.7685 10.3706 10.4237 11.3878 11.5065 19.4856 19.4944 23.1780 23.2081 k = 0.5000-0.0468 0.5793 ( 712 PWs) bands (ev): -4.1049 -4.0861 4.4122 4.4296 5.7292 5.7399 6.5958 6.6148 8.2414 8.2640 8.9417 9.0693 9.7503 9.7670 10.3682 10.4218 11.3987 11.5175 19.5376 19.5457 23.1910 23.2214 k = 0.5000-0.0390 0.5848 ( 712 PWs) bands (ev): -4.1050 -4.0860 4.4380 4.4562 5.6999 5.7100 6.5961 6.6153 8.2386 8.2613 8.9329 9.0605 9.7492 9.7658 10.3662 10.4202 11.4080 11.5267 19.5833 19.5908 23.2022 23.2330 k = 0.5000-0.0312 0.5903 ( 704 PWs) bands (ev): -4.1050 -4.0859 4.4605 4.4794 5.6748 5.6842 6.5963 6.6157 8.2364 8.2592 8.9259 9.0534 9.7483 9.7649 10.3647 10.4190 11.4158 11.5345 19.6219 19.6288 23.2117 23.2426 k = 0.5000-0.0234 0.5958 ( 704 PWs) bands (ev): -4.1051 -4.0859 4.4788 4.4982 5.6543 5.6631 6.5965 6.6160 8.2345 8.2574 8.9202 9.0477 9.7476 9.7642 10.3633 10.4180 11.4217 11.5404 19.6526 19.6591 23.2191 23.2502 k = 0.5000-0.0156 0.6013 ( 704 PWs) bands (ev): -4.1051 -4.0858 4.4923 4.5122 5.6392 5.6475 6.5966 6.6162 8.2332 8.2562 8.9162 9.0437 9.7472 9.7637 10.3624 10.4172 11.4259 11.5446 19.6750 19.6811 23.2244 23.2557 k = 0.5000-0.0078 0.6069 ( 700 PWs) bands (ev): -4.1051 -4.0858 4.5007 4.5208 5.6299 5.6380 6.5967 6.6164 8.2325 8.2555 8.9138 9.0413 9.7472 9.7638 10.3619 10.4168 11.4284 11.5471 19.6887 19.6946 23.2277 23.2590 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -4.1051 -4.0858 4.5035 4.5237 5.6268 5.6348 6.5967 6.6164 8.2322 8.2552 8.9130 9.0404 9.7471 9.7637 10.3617 10.4167 11.4292 11.5479 19.6933 19.6991 23.2288 23.2601 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -4.1051 -4.0858 4.5035 4.5237 5.6268 5.6348 6.5967 6.6164 8.2322 8.2552 8.9130 9.0404 9.7471 9.7637 10.3617 10.4167 11.4292 11.5479 19.6933 19.6991 23.2288 23.2601 k = 0.4952 0.0083 0.6124 ( 700 PWs) bands (ev): -4.1054 -4.0860 4.5023 4.5224 5.6278 5.6358 6.5960 6.6157 8.2319 8.2559 8.9143 9.0417 9.7476 9.7642 10.3619 10.4174 11.4293 11.5480 19.6913 19.6972 23.2252 23.2567 k = 0.4904 0.0167 0.6124 ( 700 PWs) bands (ev): -4.1060 -4.0866 4.4987 4.5187 5.6307 5.6391 6.5938 6.6137 8.2310 8.2578 8.9182 9.0454 9.7488 9.7660 10.3627 10.4197 11.4293 11.5480 19.6854 19.6914 23.2147 23.2464 k = 0.4856 0.0250 0.6124 ( 704 PWs) bands (ev): -4.1069 -4.0876 4.4928 4.5126 5.6355 5.6444 6.5902 6.6102 8.2292 8.2602 8.9247 9.0516 9.7506 9.7687 10.3640 10.4236 11.4291 11.5478 19.6756 19.6819 23.1974 23.2293 k = 0.4808 0.0333 0.6124 ( 706 PWs) bands (ev): -4.1082 -4.0890 4.4849 4.5044 5.6422 5.6519 6.5851 6.6054 8.2267 8.2626 8.9339 9.0603 9.7531 9.7728 10.3662 10.4294 11.4287 11.5473 19.6620 19.6686 23.1738 23.2061 k = 0.4760 0.0416 0.6124 ( 710 PWs) bands (ev): -4.1097 -4.0906 4.4751 4.4943 5.6507 5.6613 6.5785 6.5991 8.2235 8.2647 8.9455 9.0712 9.7563 9.7782 10.3693 10.4370 11.4278 11.5462 19.6447 19.6519 23.1449 23.1775 k = 0.4712 0.0500 0.6124 ( 710 PWs) bands (ev): -4.1115 -4.0925 4.4639 4.4826 5.6610 5.6726 6.5706 6.5916 8.2198 8.2661 8.9593 9.0840 9.7602 9.7848 10.3738 10.4466 11.4264 11.5447 19.6241 19.6317 23.1116 23.1445 k = 0.4663 0.0583 0.6124 ( 710 PWs) bands (ev): -4.1134 -4.0945 4.4514 4.4696 5.6730 5.6856 6.5613 6.5828 8.2155 8.2669 8.9748 9.0982 9.7648 9.7924 10.3798 10.4583 11.4243 11.5424 19.6003 19.6084 23.0751 23.1082 k = 0.4615 0.0666 0.6124 ( 708 PWs) bands (ev): -4.1155 -4.0967 4.4378 4.4556 5.6864 5.7002 6.5508 6.5726 8.2108 8.2670 8.9916 9.1135 9.7701 9.8010 10.3875 10.4721 11.4215 11.5393 19.5735 19.5822 23.0364 23.0697 k = 0.4567 0.0749 0.6124 ( 706 PWs) bands (ev): -4.1177 -4.0991 4.4235 4.4408 5.7012 5.7162 6.5390 6.5612 8.2058 8.2663 9.0092 9.1292 9.7763 9.8104 10.3972 10.4879 11.4179 11.5353 19.5443 19.5535 22.9966 23.0299 k = 0.4519 0.0833 0.6124 ( 708 PWs) bands (ev): -4.1200 -4.1015 4.4086 4.4254 5.7172 5.7335 6.5259 6.5486 8.2005 8.2651 9.0271 9.1448 9.7831 9.8203 10.4090 10.5059 11.4133 11.5301 19.5128 19.5225 22.9565 22.9899 k = 0.4471 0.0916 0.6124 ( 711 PWs) bands (ev): -4.1223 -4.1039 4.3935 4.4097 5.7343 5.7517 6.5118 6.5348 8.1951 8.2633 9.0447 9.1600 9.7905 9.8306 10.4230 10.5260 11.4076 11.5238 19.4797 19.4897 22.9169 22.9502 k = 0.4423 0.0999 0.6124 ( 711 PWs) bands (ev): -4.1246 -4.1064 4.3783 4.3940 5.7523 5.7710 6.4966 6.5199 8.1898 8.2613 9.0619 9.1743 9.7986 9.8411 10.4396 10.5482 11.4010 11.5163 19.4453 19.4557 22.8786 22.9117 k = 0.4375 0.1083 0.6124 ( 713 PWs) bands (ev): -4.1269 -4.1088 4.3633 4.3785 5.7711 5.7910 6.4805 6.5041 8.1847 8.2591 9.0781 9.1873 9.8072 9.8514 10.4585 10.5724 11.3933 11.5075 19.4102 19.4207 22.8418 22.8749 k = 0.4327 0.1166 0.6124 ( 713 PWs) bands (ev): -4.1291 -4.1112 4.3488 4.3635 5.7905 5.8116 6.4637 6.4874 8.1798 8.2568 9.0932 9.1991 9.8161 9.8615 10.4797 10.5985 11.3847 11.4974 19.3748 19.3854 22.8072 22.8400 k = 0.4279 0.1249 0.6124 ( 713 PWs) bands (ev): -4.1312 -4.1135 4.3348 4.3490 5.8104 5.8327 6.4461 6.4700 8.1752 8.2545 9.1071 9.2096 9.8252 9.8711 10.5031 10.6260 11.3750 11.4860 19.3398 19.3503 22.7748 22.8075 k = 0.4231 0.1332 0.6124 ( 709 PWs) bands (ev): -4.1333 -4.1157 4.3215 4.3354 5.8306 5.8540 6.4282 6.4520 8.1711 8.2523 9.1197 9.2186 9.8344 9.8801 10.5283 10.6548 11.3646 11.4734 19.3057 19.3159 22.7451 22.7776 k = 0.4183 0.1416 0.6124 ( 709 PWs) bands (ev): -4.1352 -4.1178 4.3091 4.3225 5.8508 5.8754 6.4099 6.4336 8.1672 8.2502 9.1307 9.2261 9.8431 9.8881 10.5548 10.6843 11.3535 11.4594 19.2730 19.2828 22.7180 22.7504 k = 0.4135 0.1499 0.6124 ( 709 PWs) bands (ev): -4.1369 -4.1197 4.2977 4.3107 5.8709 5.8966 6.3915 6.4150 8.1638 8.2483 9.1404 9.2324 9.8514 9.8952 10.5822 10.7141 11.3419 11.4444 19.2422 19.2514 22.6938 22.7259 k = 0.4087 0.1582 0.6124 ( 710 PWs) bands (ev): -4.1386 -4.1214 4.2873 4.3000 5.8905 5.9174 6.3733 6.3965 8.1608 8.2466 9.1487 9.2375 9.8591 9.9013 10.6098 10.7433 11.3303 11.4285 19.2139 19.2224 22.6724 22.7044 k = 0.4038 0.1665 0.6124 ( 707 PWs) bands (ev): -4.1400 -4.1229 4.2782 4.2906 5.9093 5.9373 6.3558 6.3786 8.1582 8.2451 9.1559 9.2417 9.8662 9.9065 10.6368 10.7714 11.3191 11.4121 19.1884 19.1960 22.6538 22.6857 k = 0.3990 0.1749 0.6124 ( 707 PWs) bands (ev): -4.1412 -4.1243 4.2703 4.2825 5.9269 5.9560 6.3392 6.3615 8.1561 8.2438 9.1616 9.2448 9.8724 9.9108 10.6624 10.7974 11.3087 11.3956 19.1662 19.1728 22.6382 22.6699 k = 0.3942 0.1832 0.6124 ( 707 PWs) bands (ev): -4.1422 -4.1254 4.2637 4.2757 5.9428 5.9729 6.3242 6.3458 8.1543 8.2428 9.1662 9.2472 9.8776 9.9141 10.6854 10.8205 11.2998 11.3795 19.1477 19.1532 22.6254 22.6570 k = 0.3894 0.1915 0.6124 ( 711 PWs) bands (ev): -4.1430 -4.1262 4.2586 4.2704 5.9563 5.9873 6.3114 6.3323 8.1529 8.2419 9.1696 9.2487 9.8818 9.9165 10.7050 10.8396 11.2927 11.3647 19.1331 19.1374 22.6154 22.6470 k = 0.3846 0.1999 0.6124 ( 711 PWs) bands (ev): -4.1436 -4.1269 4.2549 4.2666 5.9667 5.9985 6.3015 6.3218 8.1519 8.2413 9.1721 9.2499 9.8848 9.9182 10.7200 10.8540 11.2881 11.3525 19.1226 19.1258 22.6084 22.6399 k = 0.3798 0.2082 0.6124 ( 706 PWs) bands (ev): -4.1440 -4.1272 4.2527 4.2644 5.9733 6.0056 6.2953 6.3151 8.1514 8.2411 9.1738 9.2507 9.8868 9.9193 10.7296 10.8629 11.2858 11.3443 19.1165 19.1187 22.6041 22.6357 k = 0.3750 0.2165 0.6124 ( 706 PWs) bands (ev): -4.1441 -4.1274 4.2520 4.2636 5.9756 6.0080 6.2931 6.3128 8.1512 8.2410 9.1743 9.2510 9.8874 9.9196 10.7328 10.8659 11.2851 11.3413 19.1145 19.1162 22.6027 22.6342 k = 0.3750 0.2165 0.6124 ( 706 PWs) bands (ev): -4.1441 -4.1274 4.2520 4.2636 5.9756 6.0080 6.2931 6.3128 8.1512 8.2410 9.1743 9.2510 9.8874 9.9196 10.7328 10.8659 11.2851 11.3413 19.1145 19.1162 22.6027 22.6342 k = 0.3702 0.2137 0.6045 ( 706 PWs) bands (ev): -4.1506 -4.1336 4.2884 4.3006 5.9196 5.9518 6.2755 6.2956 8.1600 8.2522 9.1589 9.2357 9.9178 9.9478 10.7178 10.8512 11.3364 11.3923 19.1815 19.1844 22.5505 22.5824 k = 0.3654 0.2110 0.5967 ( 708 PWs) bands (ev): -4.1577 -4.1405 4.3250 4.3376 5.8622 5.8939 6.2577 6.2782 8.1728 8.2674 9.1433 9.2203 9.9504 9.9784 10.7014 10.8351 11.3883 11.4439 19.2486 19.2528 22.4926 22.5247 k = 0.3606 0.2082 0.5888 ( 710 PWs) bands (ev): -4.1656 -4.1482 4.3614 4.3746 5.8037 5.8347 6.2399 6.2608 8.1898 8.2865 9.1279 9.2049 9.9848 10.0112 10.6837 10.8178 11.4409 11.4962 19.3158 19.3212 22.4291 22.4615 k = 0.3558 0.2054 0.5810 ( 710 PWs) bands (ev): -4.1743 -4.1567 4.3977 4.4113 5.7445 5.7747 6.2221 6.2433 8.2109 8.3095 9.1125 9.1896 10.0211 10.0460 10.6649 10.7997 11.4940 11.5490 19.3830 19.3896 22.3604 22.3930 k = 0.3510 0.2026 0.5731 ( 710 PWs) bands (ev): -4.1837 -4.1660 4.4336 4.4477 5.6851 5.7143 6.2043 6.2257 8.2360 8.3364 9.0972 9.1742 10.0589 10.0827 10.6452 10.7808 11.5476 11.6024 19.4500 19.4578 22.2869 22.3196 k = 0.3462 0.1999 0.5653 ( 710 PWs) bands (ev): -4.1940 -4.1762 4.4688 4.4834 5.6259 5.6540 6.1864 6.2082 8.2650 8.3670 9.0819 9.1589 10.0979 10.1210 10.6247 10.7613 11.6016 11.6561 19.5167 19.5257 22.2092 22.2419 k = 0.3413 0.1971 0.5574 ( 710 PWs) bands (ev): -4.2052 -4.1873 4.5031 4.5183 5.5674 5.5943 6.1686 6.1906 8.2977 8.4013 9.0667 9.1437 10.1381 10.1606 10.6037 10.7416 11.6560 11.7102 19.5828 19.5930 22.1277 22.1604 k = 0.3365 0.1943 0.5496 ( 710 PWs) bands (ev): -4.2173 -4.1994 4.5361 4.5519 5.5102 5.5357 6.1508 6.1730 8.3339 8.4390 9.0516 9.1286 10.1791 10.2015 10.5825 10.7219 11.7106 11.7645 19.6482 19.6595 22.0432 22.0758 k = 0.3317 0.1915 0.5417 ( 702 PWs) bands (ev): -4.2303 -4.2125 4.5678 4.5842 5.4548 5.4788 6.1331 6.1556 8.3735 8.4801 9.0368 9.1139 10.2208 10.2435 10.5616 10.7027 11.7656 11.8192 19.7125 19.7248 21.9564 21.9888 k = 0.3269 0.1887 0.5339 ( 704 PWs) bands (ev): -4.2443 -4.2265 4.5972 4.6143 5.4019 5.4242 6.1154 6.1380 8.4161 8.5241 9.0220 9.0991 10.2624 10.2856 10.5412 10.6844 11.8205 11.8739 19.7751 19.7884 21.8681 21.9004 k = 0.3221 0.1860 0.5260 ( 704 PWs) bands (ev): -4.2593 -4.2417 4.6241 4.6419 5.3522 5.3727 6.0978 6.1206 8.4614 8.5708 9.0075 9.0847 10.3035 10.3273 10.5227 10.6678 11.8755 11.9287 19.8354 19.8496 21.7796 21.8115 k = 0.3173 0.1832 0.5182 ( 708 PWs) bands (ev): -4.2754 -4.2579 4.6474 4.6661 5.3066 5.3251 6.0802 6.1031 8.5092 8.6199 8.9933 9.0706 10.3429 10.3661 10.5083 10.6541 11.9305 11.9834 19.8927 19.9074 21.6920 21.7234 k = 0.3125 0.1804 0.5103 ( 708 PWs) bands (ev): -4.2925 -4.2752 4.6667 4.6863 5.2661 5.2825 6.0627 6.0858 8.5590 8.6710 8.9795 9.0570 10.3795 10.3964 10.5044 10.6449 11.9855 12.0381 19.9455 19.9606 21.6071 21.6377 k = 0.3077 0.1776 0.5025 ( 704 PWs) bands (ev): -4.3107 -4.2936 4.6808 4.7013 5.2318 5.2461 6.0454 6.0686 8.6106 8.7238 8.9666 9.0443 10.4085 10.4107 10.5208 10.6430 12.0405 12.0928 19.9924 20.0075 21.5270 21.5565 k = 0.3029 0.1749 0.4946 ( 704 PWs) bands (ev): -4.3300 -4.3131 4.6888 4.7101 5.2048 5.2170 6.0282 6.0515 8.6631 8.7770 8.9545 9.0322 10.4045 10.4339 10.5556 10.6512 12.0952 12.1472 20.0312 20.0458 21.4541 21.4820 k = 0.2981 0.1721 0.4868 ( 704 PWs) bands (ev): -4.3504 -4.3338 4.6901 4.7120 5.1858 5.1961 6.0110 6.0344 8.7157 8.8291 8.9447 9.0214 10.3945 10.4477 10.5991 10.6713 12.1497 12.2014 20.0592 20.0726 21.3917 21.4173 k = 0.2933 0.1693 0.4789 ( 700 PWs) bands (ev): -4.3719 -4.3556 4.6844 4.7066 5.1751 5.1838 5.9940 6.0174 8.7673 8.8736 8.9433 9.0127 10.3842 10.4539 10.6467 10.7022 12.2039 12.2554 20.0736 20.0850 21.3430 21.3657 k = 0.2885 0.1665 0.4711 ( 700 PWs) bands (ev): -4.3946 -4.3786 4.6724 4.6945 5.1721 5.1795 5.9770 6.0004 8.8157 8.8916 8.9680 9.0076 10.3756 10.4556 10.6961 10.7408 12.2578 12.3090 20.0714 20.0799 21.3112 21.3302 k = 0.2837 0.1638 0.4632 ( 700 PWs) bands (ev): -4.4184 -4.4027 4.6554 4.6769 5.1757 5.1821 5.9602 5.9836 8.8570 8.8881 9.0093 9.0136 10.3703 10.4561 10.7470 10.7845 12.3114 12.3622 20.0506 20.0558 21.2982 21.3130 k = 0.2788 0.1610 0.4554 ( 700 PWs) bands (ev): -4.4433 -4.4280 4.6347 4.6554 5.1845 5.1902 5.9434 5.9668 8.8793 8.8854 9.0229 9.0626 10.3695 10.4578 10.7988 10.8317 12.3645 12.4150 20.0108 20.0123 21.3046 21.3149 k = 0.2740 0.1582 0.4475 ( 700 PWs) bands (ev): -4.4693 -4.4544 4.6117 4.6315 5.1971 5.2023 5.9267 5.9500 8.8694 8.8983 9.0504 9.1102 10.3742 10.4624 10.8515 10.8812 12.4171 12.4673 19.9511 19.9532 21.3287 21.3348 k = 0.2692 0.1554 0.4397 ( 700 PWs) bands (ev): -4.4964 -4.4819 4.5878 4.6064 5.2123 5.2172 5.9101 5.9333 8.8594 8.9003 9.0865 9.1543 10.3854 10.4714 10.9049 10.9324 12.4692 12.5190 19.8749 19.8801 21.3683 21.3707 k = 0.2644 0.1527 0.4318 ( 702 PWs) bands (ev): -4.5245 -4.5105 4.5637 4.5811 5.2292 5.2336 5.8936 5.9167 8.8497 8.8969 9.1247 9.1936 10.4039 10.4858 10.9588 10.9849 12.5207 12.5702 19.7864 19.7942 21.4199 21.4205 k = 0.2596 0.1499 0.4240 ( 702 PWs) bands (ev): -4.5537 -4.5402 4.5403 4.5565 5.2471 5.2512 5.8772 5.9002 8.8404 8.8911 9.1614 9.2276 10.4305 10.5066 11.0134 11.0385 12.5716 12.6208 19.6882 19.6982 21.4798 21.4829 k = 0.2548 0.1471 0.4161 ( 708 PWs) bands (ev): -4.5840 -4.5709 4.5179 4.5331 5.2655 5.2692 5.8607 5.8835 8.8314 8.8841 9.1946 9.2553 10.4655 10.5343 11.0685 11.0929 12.6219 12.6706 19.5826 19.5942 21.5484 21.5534 k = 0.2500 0.1443 0.4082 ( 708 PWs) bands (ev): -4.6152 -4.6026 4.4973 4.5112 5.2839 5.2872 5.8444 5.8670 8.8231 8.8770 9.2231 9.2769 10.5092 10.5695 11.1242 11.1482 12.6714 12.7198 19.4714 19.4843 21.6239 21.6303 k = 0.2452 0.1416 0.4004 ( 708 PWs) bands (ev): -4.6473 -4.6352 4.4785 4.4913 5.3021 5.3049 5.8282 5.8506 8.8155 8.8701 9.2466 9.2923 10.5613 10.6125 11.1804 11.2042 12.7202 12.7682 19.3557 19.3696 21.7051 21.7123 k = 0.2404 0.1388 0.3925 ( 706 PWs) bands (ev): -4.6804 -4.6687 4.4617 4.4735 5.3198 5.3221 5.8120 5.8342 8.8086 8.8634 9.2648 9.3019 10.6214 10.6630 11.2371 11.2609 12.7682 12.8158 19.2367 19.2513 21.7908 21.7985 k = 0.2356 0.1360 0.3847 ( 706 PWs) bands (ev): -4.7143 -4.7031 4.4472 4.4579 5.3368 5.3386 5.7959 5.8178 8.8023 8.8572 9.2778 9.3064 10.6885 10.7206 11.2943 11.3182 12.8154 12.8626 19.1151 19.1303 21.8804 21.8881 k = 0.2308 0.1332 0.3768 ( 710 PWs) bands (ev): -4.7490 -4.7383 4.4349 4.4445 5.3529 5.3542 5.7798 5.8014 8.7966 8.8514 9.2859 9.3063 10.7619 10.7848 11.3520 11.3761 12.8617 12.9084 18.9914 19.0070 21.9730 21.9804 k = 0.2260 0.1305 0.3690 ( 710 PWs) bands (ev): -4.7844 -4.7742 4.4250 4.4337 5.3681 5.3689 5.7638 5.7851 8.7917 8.8463 9.2900 9.3026 10.8408 10.8550 11.4101 11.4347 12.9072 12.9534 18.8662 18.8821 22.0681 22.0749 k = 0.2212 0.1277 0.3611 ( 704 PWs) bands (ev): -4.8205 -4.8108 4.4177 4.4254 5.3824 5.3826 5.7480 5.7689 8.7877 8.8419 9.2906 9.2962 10.9244 10.9306 11.4689 11.4939 12.9518 12.9975 18.7400 18.7560 22.1654 22.1711 k = 0.2163 0.1249 0.3533 ( 704 PWs) bands (ev): -4.8572 -4.8481 4.4127 4.4195 5.3951 5.3955 5.7321 5.7526 8.7843 8.8380 9.2872 9.2880 11.0104 11.0117 11.5281 11.5537 12.9953 13.0406 18.6130 18.6291 22.2643 22.2685 k = 0.2115 0.1221 0.3454 ( 710 PWs) bands (ev): -4.8946 -4.8859 4.4101 4.4159 5.4064 5.4074 5.7162 5.7363 8.7816 8.8347 9.2761 9.2826 11.0939 11.1020 11.5878 11.6140 13.0380 13.0827 18.4854 18.5015 22.3644 22.3668 k = 0.2067 0.1194 0.3376 ( 710 PWs) bands (ev): -4.9324 -4.9242 4.4099 4.4149 5.4165 5.4181 5.7004 5.7201 8.7797 8.8323 9.2640 9.2754 11.1805 11.1948 11.6481 11.6751 13.0796 13.1238 18.3576 18.3736 22.4654 22.4655 k = 0.2019 0.1166 0.3297 ( 702 PWs) bands (ev): -4.9705 -4.9628 4.4122 4.4164 5.4255 5.4277 5.6848 5.7040 8.7789 8.8308 9.2510 9.2668 11.2696 11.2895 11.7094 11.7371 13.1202 13.1639 18.2297 18.2457 22.5643 22.5669 k = 0.1971 0.1138 0.3219 ( 702 PWs) bands (ev): -5.0091 -5.0018 4.4167 4.4202 5.4331 5.4359 5.6692 5.6879 8.7786 8.8298 9.2374 9.2569 11.3602 11.3852 11.7712 11.7998 13.1598 13.2029 18.1020 18.1178 22.6629 22.6685 k = 0.1923 0.1110 0.3140 ( 702 PWs) bands (ev): -5.0479 -5.0411 4.4235 4.4263 5.4395 5.4429 5.6536 5.6718 8.7791 8.8295 9.2234 9.2462 11.4519 11.4816 11.8338 11.8633 13.1983 13.2408 17.9745 17.9901 22.7608 22.7698 k = 0.1875 0.1083 0.3062 ( 714 PWs) bands (ev): -5.0870 -5.0806 4.4323 4.4344 5.4443 5.4483 5.6380 5.6556 8.7798 8.8294 9.2094 9.2349 11.5441 11.5779 11.8972 11.9276 13.2355 13.2774 17.8474 17.8628 22.8579 22.8706 k = 0.1827 0.1055 0.2983 ( 710 PWs) bands (ev): -5.1261 -5.1202 4.4435 4.4450 5.4482 5.4528 5.6227 5.6397 8.7819 8.8307 9.1955 9.2234 11.6363 11.6738 11.9620 11.9932 13.2719 13.3132 17.7210 17.7361 22.9538 22.9705 k = 0.1779 0.1027 0.2905 ( 710 PWs) bands (ev): -5.1653 -5.1598 4.4566 4.4575 5.4509 5.4561 5.6075 5.6238 8.7846 8.8325 9.1820 9.2118 11.7280 11.7685 12.0283 12.0600 13.3072 13.3477 17.5953 17.6101 23.0484 23.0693 k = 0.1731 0.0999 0.2826 ( 710 PWs) bands (ev): -5.2045 -5.1994 4.4717 4.4720 5.4523 5.4582 5.5925 5.6081 8.7880 8.8350 9.1688 9.2002 11.8186 11.8614 12.0963 12.1282 13.3413 13.3812 17.4703 17.4849 23.1416 23.1667 k = 0.1683 0.0972 0.2748 ( 710 PWs) bands (ev): -5.2436 -5.2389 4.4883 4.4885 5.4526 5.4590 5.5776 5.5924 8.7920 8.8381 9.1562 9.1889 11.9076 11.9517 12.1665 12.1979 13.3743 13.4135 17.3464 17.3606 23.2334 23.2628 k = 0.1635 0.0944 0.2669 ( 710 PWs) bands (ev): -5.2825 -5.2781 4.5065 4.5072 5.4517 5.4588 5.5629 5.5769 8.7967 8.8418 9.1441 9.1779 11.9945 12.0389 12.2392 12.2692 13.4062 13.4446 17.2235 17.2374 23.3240 23.3575 k = 0.1587 0.0916 0.2591 ( 702 PWs) bands (ev): -5.3212 -5.3171 4.5264 4.5275 5.4498 5.4575 5.5485 5.5616 8.8025 8.8465 9.1328 9.1674 12.0794 12.1227 12.3148 12.3422 13.4370 13.4746 17.1019 17.1153 23.4134 23.4508 k = 0.1538 0.0888 0.2512 ( 702 PWs) bands (ev): -5.3595 -5.3558 4.5478 4.5493 5.4467 5.4551 5.5342 5.5464 8.8084 8.8515 9.1221 9.1572 12.1615 12.2024 12.3928 12.4166 13.4666 13.5035 16.9815 16.9945 23.5020 23.5430 k = 0.1490 0.0860 0.2434 ( 698 PWs) bands (ev): -5.3975 -5.3941 4.5706 4.5726 5.4427 5.4518 5.5202 5.5314 8.8150 8.8570 9.1122 9.1477 12.2409 12.2785 12.4730 12.4925 13.4952 13.5312 16.8625 16.8751 23.5901 23.6343 k = 0.1442 0.0833 0.2355 ( 698 PWs) bands (ev): -5.4349 -5.4319 4.5948 4.5971 5.4377 5.4475 5.5065 5.5167 8.8221 8.8630 9.1029 9.1385 12.3178 12.3515 12.5544 12.5692 13.5226 13.5577 16.7451 16.7572 23.6779 23.7250 k = 0.1394 0.0805 0.2277 ( 698 PWs) bands (ev): -5.4719 -5.4691 4.6201 4.6227 5.4318 5.4424 5.4931 5.5021 8.8296 8.8694 9.0944 9.1299 12.3922 12.4220 12.6364 12.6465 13.5489 13.5831 16.6292 16.6409 23.7660 23.8155 k = 0.1346 0.0777 0.2198 ( 698 PWs) bands (ev): -5.5083 -5.5057 4.6466 4.6494 5.4250 5.4364 5.4800 5.4878 8.8375 8.8762 9.0865 9.1219 12.4646 12.4905 12.7181 12.7238 13.5741 13.6074 16.5151 16.5264 23.8545 23.9061 k = 0.1298 0.0749 0.2120 ( 694 PWs) bands (ev): -5.5439 -5.5417 4.6739 4.6770 5.4176 5.4297 5.4673 5.4739 8.8459 8.8834 9.0794 9.1145 12.5353 12.5577 12.7990 12.8007 13.5982 13.6305 16.4029 16.4136 23.9438 23.9971 k = 0.1250 0.0722 0.2041 ( 694 PWs) bands (ev): -5.5789 -5.5769 4.7021 4.7054 5.4094 5.4223 5.4550 5.4603 8.8546 8.8910 9.0730 9.1076 12.6043 12.6236 12.8765 12.8783 13.6212 13.6526 16.2926 16.3028 24.0341 24.0889 k = 0.1202 0.0694 0.1963 ( 694 PWs) bands (ev): -5.6131 -5.6113 4.7309 4.7343 5.4007 5.4143 5.4430 5.4470 8.8636 8.8988 9.0672 9.1012 12.6719 12.6884 12.9509 12.9556 13.6432 13.6735 16.1843 16.1940 24.1256 24.1816 k = 0.1154 0.0666 0.1884 ( 698 PWs) bands (ev): -5.6464 -5.6448 4.7602 4.7638 5.3914 5.4056 5.4313 5.4342 8.8726 8.9066 9.0619 9.0952 12.7383 12.7524 13.0234 13.0307 13.6640 13.6933 16.0782 16.0874 24.2186 24.2754 k = 0.1106 0.0638 0.1806 ( 698 PWs) bands (ev): -5.6788 -5.6774 4.7899 4.7936 5.3819 5.3966 5.4199 5.4218 8.8821 8.9148 9.0573 9.0898 12.8036 12.8157 13.0939 13.1032 13.6839 13.7121 15.9743 15.9829 24.3130 24.3705 k = 0.1058 0.0611 0.1727 ( 702 PWs) bands (ev): -5.7102 -5.7090 4.8198 4.8235 5.3720 5.3870 5.4086 5.4097 8.8917 8.9231 9.0531 9.0848 12.8678 12.8782 13.1619 13.1730 13.7028 13.7298 15.8727 15.8808 24.4088 24.4668 k = 0.1010 0.0583 0.1649 ( 698 PWs) bands (ev): -5.7406 -5.7395 4.8499 4.8537 5.3623 5.3772 5.3979 5.3983 8.9016 8.9318 9.0497 9.0804 12.9313 12.9401 13.2274 13.2399 13.7207 13.7466 15.7736 15.7812 24.5062 24.5644 k = 0.0962 0.0555 0.1570 ( 699 PWs) bands (ev): -5.7700 -5.7690 4.8799 4.8837 5.3524 5.3672 5.3873 5.3873 8.9114 8.9402 9.0466 9.0763 12.9937 13.0012 13.2900 13.3037 13.7376 13.7623 15.6771 15.6841 24.6049 24.6631 k = 0.0913 0.0527 0.1492 ( 699 PWs) bands (ev): -5.7982 -5.7974 4.9096 4.9134 5.3428 5.3571 5.3766 5.3770 8.9211 8.9487 9.0441 9.0726 13.0552 13.0616 13.3498 13.3644 13.7535 13.7770 15.5831 15.5895 24.7048 24.7628 k = 0.0865 0.0500 0.1413 ( 699 PWs) bands (ev): -5.8252 -5.8246 4.9390 4.9427 5.3333 5.3471 5.3664 5.3669 8.9308 8.9570 9.0420 9.0694 13.1158 13.1212 13.4065 13.4217 13.7686 13.7907 15.4918 15.4977 24.8055 24.8633 k = 0.0817 0.0472 0.1335 ( 699 PWs) bands (ev): -5.8511 -5.8505 4.9679 4.9716 5.3240 5.3373 5.3566 5.3572 8.9403 8.9652 9.0402 9.0664 13.1753 13.1799 13.4600 13.4757 13.7827 13.8036 15.4034 15.4087 24.9069 24.9642 k = 0.0769 0.0444 0.1256 ( 699 PWs) bands (ev): -5.8757 -5.8752 4.9961 4.9997 5.3151 5.3277 5.3471 5.3477 8.9497 8.9732 9.0388 9.0637 13.2339 13.2378 13.5103 13.5264 13.7960 13.8155 15.3177 15.3225 25.0085 25.0650 k = 0.0721 0.0416 0.1178 ( 707 PWs) bands (ev): -5.8990 -5.8986 5.0231 5.0267 5.3063 5.3182 5.3379 5.3385 8.9587 8.9808 9.0377 9.0612 13.2912 13.2945 13.5573 13.5735 13.8084 13.8265 15.2350 15.2392 25.1099 25.1653 k = 0.0673 0.0389 0.1099 ( 707 PWs) bands (ev): -5.9210 -5.9206 5.0495 5.0529 5.2981 5.3093 5.3292 5.3299 8.9676 8.9883 9.0369 9.0590 13.3476 13.3504 13.6011 13.6173 13.8201 13.8367 15.1553 15.1590 25.2104 25.2646 k = 0.0625 0.0361 0.1021 ( 705 PWs) bands (ev): -5.9416 -5.9413 5.0748 5.0781 5.2904 5.3008 5.3211 5.3217 8.9762 8.9955 9.0364 9.0571 13.4027 13.4051 13.6415 13.6576 13.8310 13.8462 15.0786 15.0819 25.3094 25.3621 k = 0.0577 0.0333 0.0942 ( 705 PWs) bands (ev): -5.9608 -5.9606 5.0989 5.1020 5.2832 5.2928 5.3134 5.3139 8.9844 9.0023 9.0360 9.0553 13.4564 13.4585 13.6785 13.6944 13.8412 13.8548 15.0051 15.0078 25.4062 25.4570 k = 0.0529 0.0305 0.0864 ( 709 PWs) bands (ev): -5.9785 -5.9784 5.1212 5.1241 5.2764 5.2852 5.3062 5.3067 8.9921 9.0085 9.0359 9.0537 13.5087 13.5106 13.7123 13.7278 13.8507 13.8627 14.9348 14.9371 25.4999 25.5484 k = 0.0481 0.0278 0.0785 ( 713 PWs) bands (ev): -5.9949 -5.9948 5.1422 5.1449 5.2700 5.2780 5.2995 5.3000 8.9993 9.0143 9.0359 9.0521 13.5595 13.5611 13.7426 13.7577 13.8596 13.8700 14.8678 14.8696 25.5894 25.6351 k = 0.0433 0.0250 0.0707 ( 715 PWs) bands (ev): -6.0097 -6.0096 5.1615 5.1640 5.2643 5.2715 5.2936 5.2940 9.0062 9.0197 9.0361 9.0508 13.6083 13.6098 13.7696 13.7842 13.8681 13.8768 14.8042 14.8057 25.6735 25.7158 k = 0.0385 0.0222 0.0628 ( 715 PWs) bands (ev): -6.0231 -6.0230 5.1790 5.1813 5.2592 5.2656 5.2884 5.2887 9.0125 9.0245 9.0364 9.0495 13.6552 13.6566 13.7933 13.8072 13.8763 13.8832 14.7443 14.7454 25.7509 25.7889 k = 0.0337 0.0194 0.0550 ( 719 PWs) bands (ev): -6.0349 -6.0349 5.1945 5.1966 5.2546 5.2602 5.2838 5.2841 9.0182 9.0288 9.0367 9.0482 13.6997 13.7010 13.8136 13.8267 13.8842 13.8894 14.6882 14.6890 25.8198 25.8522 k = 0.0288 0.0167 0.0471 ( 719 PWs) bands (ev): -6.0452 -6.0452 5.2079 5.2097 5.2507 5.2555 5.2802 5.2805 9.0233 9.0324 9.0372 9.0471 13.7412 13.7426 13.8306 13.8427 13.8920 13.8957 14.6364 14.6370 25.8782 25.9034 k = 0.0240 0.0139 0.0393 ( 723 PWs) bands (ev): -6.0539 -6.0539 5.2188 5.2203 5.2474 5.2513 5.2775 5.2777 9.0278 9.0354 9.0377 9.0460 13.7789 13.7803 13.8444 13.8550 13.8999 13.9022 14.5895 14.5899 25.9240 25.9411 k = 0.0192 0.0111 0.0314 ( 723 PWs) bands (ev): -6.0611 -6.0611 5.2275 5.2287 5.2448 5.2479 5.2758 5.2759 9.0316 9.0377 9.0384 9.0450 13.8120 13.8134 13.8550 13.8639 13.9079 13.9092 14.5483 14.5485 25.9564 25.9658 k = 0.0144 0.0083 0.0236 ( 725 PWs) bands (ev): -6.0667 -6.0667 5.2337 5.2346 5.2427 5.2451 5.2750 5.2751 9.0348 9.0390 9.0394 9.0439 13.8389 13.8403 13.8630 13.8698 13.9159 13.9166 14.5138 14.5138 25.9764 25.9804 k = 0.0096 0.0056 0.0157 ( 725 PWs) bands (ev): -6.0706 -6.0706 5.2378 5.2384 5.2414 5.2430 5.2750 5.2751 9.0374 9.0397 9.0405 9.0430 13.8586 13.8597 13.8686 13.8732 13.9234 13.9236 14.4874 14.4875 25.9873 25.9884 k = 0.0048 0.0028 0.0079 ( 725 PWs) bands (ev): -6.0730 -6.0730 5.2400 5.2403 5.2408 5.2416 5.2753 5.2753 9.0394 9.0403 9.0409 9.0419 13.8703 13.8709 13.8723 13.8746 13.9292 13.9292 14.4708 14.4708 25.9922 25.9924 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -6.0738 -6.0738 5.2408 5.2408 5.2408 5.2408 5.2754 5.2754 9.0408 9.0408 9.0408 9.0408 13.8743 13.8743 13.8743 13.8743 13.9313 13.9313 14.4651 14.4651 25.9936 25.9936 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -6.0738 -6.0738 5.2408 5.2408 5.2408 5.2408 5.2754 5.2754 9.0408 9.0408 9.0408 9.0408 13.8743 13.8743 13.8743 13.8743 13.9313 13.9313 14.4651 14.4651 25.9936 25.9936 k = 0.0078 0.0045 0.0032 ( 725 PWs) bands (ev): -6.0731 -6.0731 5.2402 5.2402 5.2407 5.2416 5.2753 5.2753 9.0394 9.0406 9.0406 9.0419 13.8705 13.8705 13.8724 13.8748 13.9292 13.9292 14.4707 14.4707 25.9923 25.9923 k = 0.0156 0.0090 0.0064 ( 725 PWs) bands (ev): -6.0707 -6.0707 5.2382 5.2382 5.2413 5.2430 5.2750 5.2750 9.0376 9.0401 9.0401 9.0428 13.8585 13.8585 13.8692 13.8740 13.9238 13.9238 14.4872 14.4872 25.9877 25.9877 k = 0.0234 0.0135 0.0096 ( 725 PWs) bands (ev): -6.0667 -6.0667 5.2343 5.2343 5.2425 5.2451 5.2750 5.2750 9.0356 9.0392 9.0392 9.0434 13.8377 13.8377 13.8646 13.8719 13.9169 13.9169 14.5133 14.5133 25.9775 25.9775 k = 0.0312 0.0180 0.0128 ( 722 PWs) bands (ev): -6.0612 -6.0612 5.2285 5.2285 5.2444 5.2478 5.2758 5.2758 9.0333 9.0379 9.0379 9.0437 13.8088 13.8088 13.8588 13.8684 13.9096 13.9096 14.5474 14.5474 25.9576 25.9576 k = 0.0391 0.0226 0.0159 ( 722 PWs) bands (ev): -6.0541 -6.0541 5.2202 5.2202 5.2469 5.2512 5.2774 5.2774 9.0308 9.0363 9.0363 9.0436 13.7728 13.7728 13.8516 13.8636 13.9018 13.9018 14.5882 14.5882 25.9236 25.9236 k = 0.0469 0.0271 0.0191 ( 719 PWs) bands (ev): -6.0455 -6.0455 5.2094 5.2094 5.2502 5.2553 5.2801 5.2801 9.0280 9.0345 9.0345 9.0434 13.7314 13.7314 13.8431 13.8574 13.8934 13.8934 14.6346 14.6346 25.8734 25.8734 k = 0.0547 0.0316 0.0223 ( 719 PWs) bands (ev): -6.0353 -6.0353 5.1964 5.1964 5.2540 5.2599 5.2836 5.2836 9.0250 9.0322 9.0322 9.0429 13.6854 13.6854 13.8333 13.8499 13.8840 13.8840 14.6857 14.6857 25.8079 25.8079 k = 0.0625 0.0361 0.0255 ( 718 PWs) bands (ev): -6.0236 -6.0236 5.1813 5.1813 5.2584 5.2652 5.2879 5.2879 9.0217 9.0298 9.0298 9.0422 13.6355 13.6355 13.8222 13.8411 13.8736 13.8736 14.7411 14.7411 25.7293 25.7293 k = 0.0703 0.0406 0.0287 ( 712 PWs) bands (ev): -6.0103 -6.0103 5.1645 5.1645 5.2634 5.2710 5.2931 5.2931 9.0185 9.0271 9.0271 9.0414 13.5822 13.5822 13.8099 13.8311 13.8621 13.8621 14.8002 14.8002 25.6398 25.6398 k = 0.0781 0.0451 0.0319 ( 712 PWs) bands (ev): -5.9956 -5.9956 5.1454 5.1454 5.2689 5.2774 5.2989 5.2989 9.0149 9.0242 9.0242 9.0403 13.5257 13.5257 13.7962 13.8197 13.8494 13.8494 14.8629 14.8629 25.5412 25.5412 k = 0.0859 0.0496 0.0351 ( 706 PWs) bands (ev): -5.9795 -5.9795 5.1245 5.1245 5.2753 5.2845 5.3057 5.3057 9.0114 9.0212 9.0212 9.0392 13.4664 13.4664 13.7814 13.8070 13.8355 13.8355 14.9290 14.9290 25.4350 25.4350 k = 0.0938 0.0541 0.0383 ( 706 PWs) bands (ev): -5.9619 -5.9619 5.1020 5.1020 5.2819 5.2920 5.3127 5.3127 9.0077 9.0179 9.0179 9.0378 13.4041 13.4041 13.7653 13.7930 13.8205 13.8205 14.9982 14.9982 25.3222 25.3222 k = 0.1016 0.0586 0.0415 ( 706 PWs) bands (ev): -5.9429 -5.9429 5.0780 5.0780 5.2891 5.2999 5.3204 5.3204 9.0040 9.0145 9.0145 9.0364 13.3392 13.3392 13.7480 13.7778 13.8042 13.8042 15.0704 15.0704 25.2041 25.2041 k = 0.1094 0.0631 0.0447 ( 706 PWs) bands (ev): -5.9225 -5.9225 5.0526 5.0526 5.2967 5.3083 5.3286 5.3286 9.0003 9.0110 9.0110 9.0350 13.2716 13.2716 13.7295 13.7613 13.7869 13.7869 15.1457 15.1457 25.0815 25.0815 k = 0.1172 0.0677 0.0478 ( 706 PWs) bands (ev): -5.9007 -5.9007 5.0259 5.0259 5.3048 5.3172 5.3373 5.3373 8.9966 9.0075 9.0075 9.0336 13.2014 13.2014 13.7099 13.7436 13.7683 13.7683 15.2237 15.2237 24.9553 24.9553 k = 0.1250 0.0722 0.0510 ( 706 PWs) bands (ev): -5.8777 -5.8777 4.9981 4.9981 5.3133 5.3265 5.3464 5.3464 8.9931 9.0040 9.0040 9.0322 13.1287 13.1287 13.6892 13.7248 13.7486 13.7486 15.3046 15.3046 24.8262 24.8262 k = 0.1328 0.0767 0.0542 ( 706 PWs) bands (ev): -5.8534 -5.8534 4.9692 4.9692 5.3222 5.3361 5.3560 5.3560 8.9897 9.0006 9.0006 9.0309 13.0536 13.0536 13.6673 13.7047 13.7278 13.7278 15.3880 15.3880 24.6949 24.6949 k = 0.1406 0.0812 0.0574 ( 712 PWs) bands (ev): -5.8279 -5.8279 4.9393 4.9393 5.3314 5.3460 5.3659 5.3659 8.9863 8.9970 8.9970 9.0295 12.9761 12.9761 13.6443 13.6835 13.7059 13.7059 15.4740 15.4740 24.5620 24.5620 k = 0.1484 0.0857 0.0606 ( 712 PWs) bands (ev): -5.8012 -5.8012 4.9088 4.9088 5.3411 5.3563 5.3762 5.3762 8.9833 8.9939 8.9939 9.0286 12.8964 12.8964 13.6204 13.6612 13.6830 13.6830 15.5624 15.5624 24.4281 24.4281 k = 0.1562 0.0902 0.0638 ( 712 PWs) bands (ev): -5.7733 -5.7733 4.8775 4.8775 5.3510 5.3669 5.3869 5.3869 8.9806 8.9909 8.9909 9.0278 12.8146 12.8146 13.5954 13.6378 13.6590 13.6590 15.6531 15.6531 24.2938 24.2938 k = 0.1641 0.0947 0.0670 ( 712 PWs) bands (ev): -5.7444 -5.7444 4.8457 4.8457 5.3612 5.3778 5.3978 5.3978 8.9783 8.9882 8.9882 9.0274 12.7307 12.7307 13.5694 13.6134 13.6341 13.6341 15.7460 15.7460 24.1593 24.1593 k = 0.1719 0.0992 0.0702 ( 712 PWs) bands (ev): -5.7145 -5.7145 4.8134 4.8134 5.3716 5.3888 5.4089 5.4089 8.9764 8.9858 8.9858 9.0272 12.6448 12.6448 13.5425 13.5879 13.6081 13.6081 15.8408 15.8408 24.0253 24.0253 k = 0.1797 0.1037 0.0734 ( 709 PWs) bands (ev): -5.6835 -5.6835 4.7808 4.7808 5.3823 5.4001 5.4204 5.4204 8.9749 8.9838 8.9838 9.0274 12.5572 12.5572 13.5147 13.5616 13.5813 13.5813 15.9375 15.9375 23.8920 23.8920 k = 0.1875 0.1083 0.0765 ( 703 PWs) bands (ev): -5.6517 -5.6517 4.7480 4.7480 5.3933 5.4116 5.4321 5.4321 8.9739 8.9822 8.9822 9.0280 12.4680 12.4680 13.4862 13.5343 13.5537 13.5537 16.0359 16.0359 23.7597 23.7597 k = 0.1953 0.1128 0.0797 ( 703 PWs) bands (ev): -5.6190 -5.6190 4.7151 4.7151 5.4042 5.4231 5.4438 5.4438 8.9735 8.9810 8.9810 9.0291 12.3772 12.3772 13.4566 13.5059 13.5250 13.5250 16.1358 16.1358 23.6288 23.6288 k = 0.2031 0.1173 0.0829 ( 697 PWs) bands (ev): -5.5855 -5.5855 4.6822 4.6822 5.4153 5.4346 5.4556 5.4556 8.9738 8.9804 8.9804 9.0308 12.2851 12.2851 13.4263 13.4768 13.4956 13.4956 16.2372 16.2372 23.4996 23.4996 k = 0.2109 0.1218 0.0861 ( 703 PWs) bands (ev): -5.5512 -5.5512 4.6492 4.6492 5.4263 5.4460 5.4673 5.4673 8.9744 8.9801 8.9801 9.0327 12.1913 12.1913 13.3953 13.4467 13.4654 13.4654 16.3396 16.3396 23.3722 23.3722 k = 0.2188 0.1263 0.0893 ( 703 PWs) bands (ev): -5.5164 -5.5164 4.6164 4.6164 5.4374 5.4575 5.4791 5.4791 8.9757 8.9804 8.9804 9.0353 12.0969 12.0969 13.3635 13.4159 13.4345 13.4345 16.4431 16.4431 23.2469 23.2469 k = 0.2266 0.1308 0.0925 ( 703 PWs) bands (ev): -5.4809 -5.4809 4.5839 4.5839 5.4484 5.4689 5.4909 5.4909 8.9778 8.9813 8.9813 9.0384 12.0017 12.0017 13.3311 13.3843 13.4028 13.4028 16.5475 16.5475 23.1239 23.1239 k = 0.2344 0.1353 0.0957 ( 703 PWs) bands (ev): -5.4449 -5.4449 4.5518 4.5518 5.4594 5.4802 5.5026 5.5026 8.9805 8.9829 8.9829 9.0421 11.9058 11.9058 13.2982 13.3521 13.3706 13.3706 16.6525 16.6525 23.0033 23.0033 k = 0.2422 0.1398 0.0989 ( 703 PWs) bands (ev): -5.4085 -5.4085 4.5201 4.5201 5.4703 5.4913 5.5142 5.5142 8.9840 8.9850 8.9850 9.0465 11.8094 11.8094 13.2647 13.3192 13.3378 13.3378 16.7579 16.7579 22.8852 22.8852 k = 0.2500 0.1443 0.1021 ( 703 PWs) bands (ev): -5.3718 -5.3718 4.4888 4.4888 5.4811 5.5023 5.5257 5.5257 8.9878 8.9878 8.9882 9.0515 11.7127 11.7127 13.2307 13.2857 13.3045 13.3045 16.8636 16.8636 22.7699 22.7699 k = 0.2578 0.1488 0.1053 ( 703 PWs) bands (ev): -5.3348 -5.3348 4.4582 4.4582 5.4917 5.5131 5.5370 5.5370 8.9913 8.9913 8.9932 9.0571 11.6160 11.6160 13.1963 13.2517 13.2707 13.2707 16.9694 16.9694 22.6574 22.6574 k = 0.2656 0.1534 0.1084 ( 709 PWs) bands (ev): -5.2976 -5.2976 4.4280 4.4280 5.5021 5.5236 5.5481 5.5481 8.9953 8.9953 8.9988 9.0631 11.5191 11.5191 13.1615 13.2173 13.2365 13.2365 17.0750 17.0750 22.5479 22.5479 k = 0.2734 0.1579 0.1116 ( 703 PWs) bands (ev): -5.2603 -5.2603 4.3988 4.3988 5.5126 5.5341 5.5591 5.5591 9.0003 9.0003 9.0055 9.0701 11.4229 11.4229 13.1266 13.1825 13.2022 13.2022 17.1803 17.1803 22.4413 22.4413 k = 0.2812 0.1624 0.1148 ( 703 PWs) bands (ev): -5.2230 -5.2230 4.3702 4.3702 5.5226 5.5441 5.5697 5.5697 9.0058 9.0058 9.0128 9.0777 11.3271 11.3271 13.0914 13.1474 13.1675 13.1675 17.2850 17.2850 22.3379 22.3379 k = 0.2891 0.1669 0.1180 ( 697 PWs) bands (ev): -5.1858 -5.1858 4.3425 4.3425 5.5324 5.5538 5.5801 5.5801 9.0123 9.0123 9.0212 9.0861 11.2321 11.2321 13.0561 13.1121 13.1327 13.1327 17.3889 17.3889 22.2377 22.2377 k = 0.2969 0.1714 0.1212 ( 700 PWs) bands (ev): -5.1488 -5.1488 4.3157 4.3157 5.5419 5.5631 5.5901 5.5901 9.0190 9.0190 9.0299 9.0947 11.1379 11.1379 13.0207 13.0765 13.0977 13.0977 17.4919 17.4919 22.1407 22.1407 k = 0.3047 0.1759 0.1244 ( 700 PWs) bands (ev): -5.1121 -5.1121 4.2897 4.2897 5.5511 5.5721 5.5997 5.5997 9.0265 9.0265 9.0395 9.1040 11.0450 11.0450 12.9854 13.0409 13.0628 13.0628 17.5936 17.5936 22.0470 22.0470 k = 0.3125 0.1804 0.1276 ( 697 PWs) bands (ev): -5.0757 -5.0757 4.2648 4.2648 5.5600 5.5807 5.6090 5.6090 9.0346 9.0346 9.0498 9.1138 10.9537 10.9537 12.9502 13.0053 13.0279 13.0279 17.6940 17.6940 21.9567 21.9567 k = 0.3203 0.1849 0.1308 ( 697 PWs) bands (ev): -5.0398 -5.0398 4.2408 4.2408 5.5685 5.5889 5.6180 5.6180 9.0432 9.0432 9.0608 9.1241 10.8638 10.8638 12.9153 12.9697 12.9932 12.9932 17.7927 17.7927 21.8696 21.8696 k = 0.3281 0.1894 0.1340 ( 697 PWs) bands (ev): -5.0045 -5.0045 4.2178 4.2178 5.5768 5.5968 5.6265 5.6265 9.0523 9.0523 9.0723 9.1349 10.7758 10.7758 12.8806 12.9344 12.9588 12.9588 17.8895 17.8895 21.7860 21.7860 k = 0.3359 0.1940 0.1371 ( 697 PWs) bands (ev): -4.9698 -4.9698 4.1959 4.1959 5.5846 5.6042 5.6347 5.6347 9.0619 9.0619 9.0844 9.1460 10.6898 10.6898 12.8464 12.8993 12.9248 12.9248 17.9842 17.9842 21.7059 21.7059 k = 0.3438 0.1985 0.1403 ( 697 PWs) bands (ev): -4.9360 -4.9360 4.1749 4.1749 5.5921 5.6112 5.6425 5.6425 9.0719 9.0719 9.0970 9.1575 10.6060 10.6060 12.8128 12.8647 12.8912 12.8912 18.0766 18.0766 21.6292 21.6292 k = 0.3516 0.2030 0.1435 ( 697 PWs) bands (ev): -4.9030 -4.9030 4.1551 4.1551 5.5993 5.6178 5.6499 5.6499 9.0822 9.0822 9.1101 9.1691 10.5247 10.5247 12.7798 12.8305 12.8583 12.8583 18.1665 18.1665 21.5560 21.5560 k = 0.3594 0.2075 0.1467 ( 697 PWs) bands (ev): -4.8709 -4.8709 4.1364 4.1364 5.6061 5.6239 5.6568 5.6568 9.0927 9.0927 9.1234 9.1810 10.4461 10.4461 12.7475 12.7970 12.8260 12.8260 18.2536 18.2536 21.4863 21.4863 k = 0.3672 0.2120 0.1499 ( 709 PWs) bands (ev): -4.8400 -4.8400 4.1187 4.1187 5.6123 5.6295 5.6632 5.6632 9.1030 9.1030 9.1367 9.1925 10.3703 10.3703 12.7160 12.7639 12.7943 12.7943 18.3377 18.3377 21.4200 21.4200 k = 0.3750 0.2165 0.1531 ( 709 PWs) bands (ev): -4.8102 -4.8102 4.1022 4.1022 5.6184 5.6348 5.6693 5.6693 9.1137 9.1137 9.1505 9.2044 10.2977 10.2977 12.6856 12.7319 12.7638 12.7638 18.4187 18.4187 21.3574 21.3574 k = 0.3828 0.2210 0.1563 ( 715 PWs) bands (ev): -4.7816 -4.7816 4.0867 4.0867 5.6239 5.6396 5.6749 5.6749 9.1242 9.1242 9.1641 9.2159 10.2285 10.2285 12.6563 12.7008 12.7342 12.7342 18.4962 18.4962 21.2982 21.2982 k = 0.3906 0.2255 0.1595 ( 715 PWs) bands (ev): -4.7544 -4.7544 4.0723 4.0723 5.6293 5.6441 5.6802 5.6802 9.1348 9.1348 9.1780 9.2274 10.1628 10.1628 12.6283 12.6708 12.7059 12.7059 18.5700 18.5700 21.2427 21.2427 k = 0.3984 0.2300 0.1627 ( 715 PWs) bands (ev): -4.7287 -4.7287 4.0589 4.0589 5.6342 5.6482 5.6851 5.6851 9.1451 9.1451 9.1917 9.2386 10.1008 10.1008 12.6017 12.6421 12.6788 12.6788 18.6400 18.6400 21.1907 21.1907 k = 0.4062 0.2345 0.1659 ( 715 PWs) bands (ev): -4.7045 -4.7045 4.0467 4.0467 5.6389 5.6519 5.6896 5.6896 9.1551 9.1551 9.2051 9.2494 10.0427 10.0427 12.5765 12.6146 12.6532 12.6532 18.7059 18.7059 21.1424 21.1424 k = 0.4141 0.2391 0.1690 ( 715 PWs) bands (ev): -4.6818 -4.6818 4.0355 4.0355 5.6431 5.6552 5.6937 5.6937 9.1646 9.1646 9.2182 9.2596 9.9887 9.9887 12.5530 12.5887 12.6291 12.6291 18.7675 18.7675 21.0977 21.0977 k = 0.4219 0.2436 0.1722 ( 709 PWs) bands (ev): -4.6609 -4.6609 4.0254 4.0254 5.6471 5.6582 5.6975 5.6975 9.1739 9.1739 9.2311 9.2694 9.9390 9.9390 12.5313 12.5643 12.6066 12.6066 18.8246 18.8246 21.0568 21.0568 k = 0.4297 0.2481 0.1754 ( 709 PWs) bands (ev): -4.6417 -4.6417 4.0163 4.0163 5.6507 5.6608 5.7008 5.7008 9.1823 9.1823 9.2432 9.2782 9.8936 9.8936 12.5114 12.5416 12.5858 12.5858 18.8771 18.8771 21.0195 21.0195 k = 0.4375 0.2526 0.1786 ( 709 PWs) bands (ev): -4.6244 -4.6244 4.0082 4.0082 5.6540 5.6630 5.7038 5.7038 9.1899 9.1899 9.2546 9.2862 9.8527 9.8527 12.4934 12.5207 12.5669 12.5669 18.9246 18.9246 20.9859 20.9859 k = 0.4453 0.2571 0.1818 ( 709 PWs) bands (ev): -4.6089 -4.6089 4.0011 4.0011 5.6569 5.6649 5.7064 5.7064 9.1968 9.1968 9.2651 9.2932 9.8164 9.8164 12.4776 12.5018 12.5500 12.5500 18.9671 18.9671 20.9561 20.9561 k = 0.4531 0.2616 0.1850 ( 709 PWs) bands (ev): -4.5954 -4.5954 3.9950 3.9950 5.6595 5.6664 5.7087 5.7087 9.2027 9.2027 9.2748 9.2991 9.7849 9.7849 12.4639 12.4849 12.5351 12.5351 19.0043 19.0043 20.9302 20.9302 k = 0.4609 0.2661 0.1882 ( 709 PWs) bands (ev): -4.5839 -4.5839 3.9898 3.9898 5.6618 5.6676 5.7105 5.7105 9.2078 9.2078 9.2835 9.3040 9.7582 9.7582 12.4524 12.4701 12.5224 12.5224 19.0361 19.0361 20.9081 20.9081 k = 0.4688 0.2706 0.1914 ( 709 PWs) bands (ev): -4.5744 -4.5744 3.9856 3.9856 5.6638 5.6684 5.7121 5.7121 9.2120 9.2120 9.2912 9.3077 9.7362 9.7362 12.4433 12.4575 12.5118 12.5118 19.0623 19.0623 20.8900 20.8900 k = 0.4766 0.2751 0.1946 ( 709 PWs) bands (ev): -4.5670 -4.5670 3.9824 3.9824 5.6654 5.6689 5.7133 5.7133 9.2152 9.2152 9.2977 9.3101 9.7192 9.7192 12.4365 12.4473 12.5036 12.5036 19.0829 19.0829 20.8758 20.8758 k = 0.4844 0.2797 0.1977 ( 715 PWs) bands (ev): -4.5617 -4.5617 3.9801 3.9801 5.6665 5.6689 5.7139 5.7139 9.2175 9.2175 9.3029 9.3112 9.7069 9.7069 12.4321 12.4393 12.4975 12.4975 19.0976 19.0976 20.8657 20.8657 k = 0.4922 0.2842 0.2009 ( 715 PWs) bands (ev): -4.5585 -4.5585 3.9787 3.9787 5.6676 5.6688 5.7144 5.7144 9.2188 9.2188 9.3069 9.3111 9.6996 9.6996 12.4302 12.4338 12.4940 12.4940 19.1065 19.1065 20.8596 20.8596 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -4.5575 -4.5575 3.9782 3.9782 5.6683 5.6683 5.7145 5.7145 9.2192 9.2192 9.3096 9.3096 9.6971 9.6971 12.4307 12.4307 12.4927 12.4927 19.1095 19.1095 20.8575 20.8575 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -4.5575 -4.5575 3.9782 3.9782 5.6683 5.6683 5.7145 5.7145 9.2192 9.2192 9.3096 9.3096 9.6971 9.6971 12.4307 12.4307 12.4927 12.4927 19.1095 19.1095 20.8575 20.8575 k = 0.5028 0.2807 0.2087 ( 711 PWs) bands (ev): -4.5574 -4.5567 3.9788 3.9794 5.6684 5.6684 5.7146 5.7146 9.2164 9.2216 9.3096 9.3096 9.6942 9.6997 12.4292 12.4293 12.4908 12.4919 19.1121 19.1133 20.8562 20.8567 k = 0.5056 0.2726 0.2132 ( 709 PWs) bands (ev): -4.5565 -4.5552 3.9810 3.9824 5.6680 5.6681 5.7145 5.7145 9.2130 9.2234 9.3091 9.3091 9.6907 9.7017 12.4242 12.4246 12.4861 12.4880 19.1212 19.1235 20.8529 20.8539 k = 0.5083 0.2646 0.2177 ( 709 PWs) bands (ev): -4.5549 -4.5529 3.9850 3.9870 5.6669 5.6673 5.7144 5.7146 9.2090 9.2247 9.3083 9.3083 9.6865 9.7031 12.4153 12.4168 12.4792 12.4813 19.1367 19.1401 20.8476 20.8490 k = 0.5111 0.2566 0.2223 ( 709 PWs) bands (ev): -4.5525 -4.5498 3.9907 3.9934 5.6648 5.6657 5.7147 5.7154 9.2043 9.2253 9.3072 9.3072 9.6819 9.7041 12.4022 12.4056 12.4706 12.4719 19.1584 19.1628 20.8402 20.8422 k = 0.5139 0.2486 0.2268 ( 709 PWs) bands (ev): -4.5493 -4.5459 3.9981 4.0015 5.6612 5.6629 5.7159 5.7173 9.1990 9.2253 9.3055 9.3056 9.6770 9.7048 12.3845 12.3907 12.4605 12.4607 19.1861 19.1916 20.8310 20.8334 k = 0.5167 0.2406 0.2313 ( 709 PWs) bands (ev): -4.5453 -4.5413 4.0072 4.0112 5.6559 5.6585 5.7184 5.7206 9.1928 9.2248 9.3034 9.3037 9.6717 9.7052 12.3623 12.3718 12.4473 12.4498 19.2197 19.2262 20.8201 20.8228 k = 0.5194 0.2325 0.2359 ( 709 PWs) bands (ev): -4.5406 -4.5359 4.0179 4.0225 5.6490 5.6525 5.7223 5.7254 9.1858 9.2236 9.3005 9.3014 9.6665 9.7055 12.3355 12.3488 12.4328 12.4379 19.2589 19.2663 20.8075 20.8105 k = 0.5222 0.2245 0.2404 ( 709 PWs) bands (ev): -4.5351 -4.5298 4.0301 4.0355 5.6405 5.6449 5.7276 5.7315 9.1779 9.2217 9.2968 9.2986 9.6613 9.7057 12.3046 12.3216 12.4172 12.4249 19.3033 19.3116 20.7934 20.7966 k = 0.5250 0.2165 0.2449 ( 711 PWs) bands (ev): -4.5289 -4.5230 4.0440 4.0500 5.6306 5.6358 5.7341 5.7389 9.1688 9.2192 9.2920 9.2953 9.6564 9.7061 12.2698 12.2905 12.4005 12.4108 19.3526 19.3615 20.7782 20.7815 k = 0.5278 0.2085 0.2495 ( 713 PWs) bands (ev): -4.5221 -4.5155 4.0593 4.0659 5.6196 5.6255 5.7418 5.7473 9.1583 9.2159 9.2859 9.2917 9.6522 9.7069 12.2315 12.2557 12.3826 12.3954 19.4062 19.4157 20.7620 20.7654 k = 0.5306 0.2005 0.2540 ( 711 PWs) bands (ev): -4.5145 -4.5073 4.0760 4.0833 5.6076 5.6143 5.7507 5.7569 9.1467 9.2120 9.2784 9.2876 9.6489 9.7080 12.1901 12.2177 12.3636 12.3787 19.4635 19.4734 20.7454 20.7486 k = 0.5333 0.1925 0.2586 ( 707 PWs) bands (ev): -4.5063 -4.4985 4.0941 4.1020 5.5948 5.6022 5.7609 5.7678 9.1336 9.2073 9.2693 9.2832 9.6467 9.7098 12.1458 12.1767 12.3435 12.3608 19.5239 19.5340 20.7290 20.7318 k = 0.5361 0.1844 0.2631 ( 709 PWs) bands (ev): -4.4975 -4.4890 4.1134 4.1219 5.5811 5.5892 5.7718 5.7794 9.1185 9.2015 9.2583 9.2784 9.6458 9.7122 12.0989 12.1329 12.3222 12.3416 19.5863 19.5964 20.7133 20.7155 k = 0.5389 0.1764 0.2676 ( 707 PWs) bands (ev): -4.4880 -4.4790 4.1338 4.1429 5.5671 5.5758 5.7837 5.7919 9.1018 9.1945 9.2460 9.2734 9.6465 9.7154 12.0497 12.0867 12.2997 12.3212 19.6498 19.6596 20.6994 20.7007 k = 0.5417 0.1684 0.2722 ( 707 PWs) bands (ev): -4.4780 -4.4684 4.1553 4.1650 5.5527 5.5621 5.7964 5.8052 9.0831 9.1853 9.2328 9.2682 9.6488 9.7195 11.9985 12.0384 12.2761 12.2994 19.7129 19.7219 20.6887 20.6887 k = 0.5444 0.1604 0.2767 ( 703 PWs) bands (ev): -4.4675 -4.4573 4.1776 4.1879 5.5382 5.5483 5.8100 5.8195 9.0624 9.1731 9.2200 9.2629 9.6528 9.7245 11.9455 11.9882 12.2513 12.2765 19.7737 19.7814 20.6811 20.6828 k = 0.5472 0.1524 0.2812 ( 703 PWs) bands (ev): -4.4565 -4.4457 4.2006 4.2114 5.5239 5.5345 5.8242 5.8343 9.0396 9.1564 9.2085 9.2573 9.6585 9.7305 11.8911 11.9365 12.2253 12.2523 19.8299 19.8359 20.6798 20.6840 k = 0.5500 0.1443 0.2858 ( 706 PWs) bands (ev): -4.4450 -4.4337 4.2241 4.2354 5.5098 5.5212 5.8391 5.8498 9.0145 9.1351 9.1988 9.2517 9.6658 9.7375 11.8353 11.8835 12.1982 12.2269 19.8790 19.8827 20.6874 20.6945 k = 0.5528 0.1363 0.2903 ( 706 PWs) bands (ev): -4.4331 -4.4213 4.2478 4.2597 5.4965 5.5085 5.8547 5.8660 8.9876 9.1099 9.1906 9.2462 9.6747 9.7454 11.7786 11.8295 12.1701 12.2004 19.9182 19.9192 20.7064 20.7167 k = 0.5556 0.1283 0.2948 ( 706 PWs) bands (ev): -4.4208 -4.4085 4.2716 4.2840 5.4840 5.4967 5.8709 5.8828 8.9585 9.0814 9.1833 9.2407 9.6850 9.7543 11.7212 11.7747 12.1409 12.1729 19.9437 19.9455 20.7385 20.7523 k = 0.5583 0.1203 0.2994 ( 702 PWs) bands (ev): -4.4081 -4.3954 4.2952 4.3079 5.4729 5.4863 5.8877 5.9003 8.9276 9.0502 9.1766 9.2355 9.6966 9.7641 11.6633 11.7195 12.1109 12.1444 19.9556 19.9601 20.7844 20.8015 k = 0.5611 0.1123 0.3039 ( 702 PWs) bands (ev): -4.3952 -4.3820 4.3181 4.3313 5.4633 5.4773 5.9050 5.9181 8.8948 9.0166 9.1703 9.2304 9.7095 9.7747 11.6050 11.6638 12.0799 12.1149 19.9559 19.9624 20.8434 20.8633 k = 0.5639 0.1042 0.3085 ( 703 PWs) bands (ev): -4.3820 -4.3684 4.3402 4.3536 5.4555 5.4703 5.9226 5.9364 8.8603 8.9809 9.1644 9.2255 9.7234 9.7861 11.5467 11.6081 12.0480 12.0845 19.9460 19.9542 20.9137 20.9359 k = 0.5667 0.0962 0.3130 ( 703 PWs) bands (ev): -4.3687 -4.3546 4.3609 4.3747 5.4501 5.4656 5.9407 5.9550 8.8241 8.9434 9.1588 9.2208 9.7382 9.7981 11.4884 11.5525 12.0153 12.0533 19.9279 19.9372 20.9929 21.0170 k = 0.5694 0.0882 0.3175 ( 705 PWs) bands (ev): -4.3552 -4.3407 4.3800 4.3941 5.4472 5.4636 5.9591 5.9739 8.7866 8.9044 9.1535 9.2165 9.7539 9.8107 11.4303 11.4971 11.9819 12.0213 19.9035 19.9135 21.0791 21.1046 k = 0.5722 0.0802 0.3221 ( 705 PWs) bands (ev): -4.3416 -4.3268 4.3971 4.4113 5.4475 5.4647 5.9778 5.9932 8.7479 8.8641 9.1486 9.2126 9.7703 9.8238 11.3728 11.4425 11.9479 11.9886 19.8742 19.8846 21.1704 21.1970 k = 0.5750 0.0722 0.3266 ( 706 PWs) bands (ev): -4.3280 -4.3128 4.4118 4.4261 5.4510 5.4691 5.9966 6.0126 8.7082 8.8228 9.1440 9.2089 9.7872 9.8372 11.3161 11.3886 11.9132 11.9552 19.8412 19.8518 21.2651 21.2927 k = 0.5778 0.0642 0.3311 ( 706 PWs) bands (ev): -4.3144 -4.2989 4.4239 4.4382 5.4582 5.4772 6.0157 6.0321 8.6677 8.7807 9.1399 9.2058 9.8045 9.8507 11.2602 11.3358 11.8781 11.9213 19.8054 19.8160 21.3621 21.3905 k = 0.5806 0.0561 0.3357 ( 702 PWs) bands (ev): -4.3008 -4.2851 4.4330 4.4474 5.4692 5.4892 6.0349 6.0518 8.6267 8.7382 9.1364 9.2033 9.8221 9.8643 11.2055 11.2842 11.8426 11.8870 19.7675 19.7779 21.4602 21.4893 k = 0.5833 0.0481 0.3402 ( 702 PWs) bands (ev): -4.2875 -4.2714 4.4390 4.4534 5.4840 5.5050 6.0540 6.0714 8.5854 8.6953 9.1333 9.2012 9.8398 9.8777 11.1520 11.2340 11.8066 11.8522 19.7280 19.7383 21.5585 21.5881 k = 0.5861 0.0401 0.3447 ( 702 PWs) bands (ev): -4.2743 -4.2580 4.4419 4.4562 5.5027 5.5247 6.0731 6.0909 8.5442 8.6525 9.1308 9.1996 9.8573 9.8907 11.1002 11.1857 11.7704 11.8171 19.6875 19.6974 21.6561 21.6862 k = 0.5889 0.0321 0.3493 ( 702 PWs) bands (ev): -4.2613 -4.2448 4.4417 4.4559 5.5251 5.5481 6.0920 6.1103 8.5032 8.6101 9.1288 9.1986 9.8745 9.9031 11.0501 11.1393 11.7340 11.7817 19.6462 19.6558 21.7522 21.7827 k = 0.5917 0.0241 0.3538 ( 702 PWs) bands (ev): -4.2487 -4.2320 4.4385 4.4526 5.5510 5.5750 6.1107 6.1294 8.4628 8.5683 9.1276 9.1982 9.8911 9.9145 11.0021 11.0953 11.6974 11.7462 19.6045 19.6136 21.8460 21.8770 k = 0.5944 0.0160 0.3584 ( 704 PWs) bands (ev): -4.2365 -4.2196 4.4325 4.4464 5.5800 5.6050 6.1292 6.1482 8.4233 8.5273 9.1270 9.1985 9.9067 9.9248 10.9565 11.0539 11.6608 11.7106 19.5624 19.5710 21.9370 21.9683 k = 0.5972 0.0080 0.3629 ( 704 PWs) bands (ev): -4.2246 -4.2076 4.4239 4.4377 5.6118 5.6377 6.1473 6.1666 8.3851 8.4878 9.1271 9.1995 9.9212 9.9337 10.9138 11.0156 11.6243 11.6750 19.5203 19.5284 22.0244 22.0559 k = 0.6000 0.0000 0.3674 ( 703 PWs) bands (ev): -4.2133 -4.1962 4.4130 4.4266 5.6459 5.6728 6.1650 6.1846 8.3485 8.4499 9.1281 9.2012 9.9340 9.9407 10.8743 10.9807 11.5880 11.6395 19.4783 19.4858 22.1076 22.1394 k = 0.6028-0.0080 0.3720 ( 705 PWs) bands (ev): -4.2026 -4.1854 4.4000 4.4135 5.6818 5.7097 6.1822 6.2020 8.3139 8.4140 9.1298 9.2037 9.9448 9.9455 10.8385 10.9495 11.5518 11.6041 19.4364 19.4434 22.1860 22.2179 k = 0.6056-0.0160 0.3765 ( 707 PWs) bands (ev): -4.1925 -4.1752 4.3853 4.3985 5.7191 5.7478 6.1987 6.2187 8.2816 8.3804 9.1323 9.2068 9.9480 9.9531 10.8069 10.9225 11.5160 11.5690 19.3948 19.4011 22.2591 22.2912 k = 0.6083-0.0241 0.3810 ( 707 PWs) bands (ev): -4.1830 -4.1658 4.3690 4.3821 5.7571 5.7867 6.2147 6.2348 8.2520 8.3496 9.1357 9.2109 9.9477 9.9585 10.7800 10.9000 11.4807 11.5344 19.3535 19.3593 22.3265 22.3587 k = 0.6111-0.0321 0.3856 ( 709 PWs) bands (ev): -4.1743 -4.1571 4.3515 4.3644 5.7955 5.8258 6.2299 6.2501 8.2255 8.3219 9.1399 9.2156 9.9445 9.9606 10.7583 10.8822 11.4459 11.5002 19.3126 19.3177 22.3879 22.4201 k = 0.6139-0.0401 0.3901 ( 707 PWs) bands (ev): -4.1664 -4.1492 4.3329 4.3456 5.8338 5.8647 6.2444 6.2646 8.2025 8.2977 9.1451 9.2212 9.9385 9.9593 10.7420 10.8693 11.4119 11.4667 19.2722 19.2766 22.4431 22.4753 k = 0.6167-0.0481 0.3946 ( 709 PWs) bands (ev): -4.1594 -4.1423 4.3135 4.3259 5.8713 5.9028 6.2580 6.2782 8.1833 8.2772 9.1511 9.2275 9.9294 9.9543 10.7313 10.8613 11.3786 11.4339 19.2321 19.2359 22.4921 22.5241 k = 0.6194-0.0561 0.3992 ( 707 PWs) bands (ev): -4.1533 -4.1363 4.2934 4.3056 5.9078 5.9397 6.2707 6.2908 8.1681 8.2607 9.1581 9.2347 9.9176 9.9457 10.7264 10.8583 11.3464 11.4020 19.1925 19.1956 22.5348 22.5667 k = 0.6222-0.0642 0.4037 ( 706 PWs) bands (ev): -4.1482 -4.1313 4.2729 4.2848 5.9426 5.9749 6.2824 6.3024 8.1574 8.2486 9.1658 9.2425 9.9035 9.9341 10.7271 10.8599 11.3151 11.3711 19.1533 19.1557 22.5716 22.6033 k = 0.6250-0.0722 0.4082 ( 706 PWs) bands (ev): -4.1441 -4.1273 4.2520 4.2636 5.9756 6.0080 6.2931 6.3128 8.1512 8.2410 9.1743 9.2510 9.8874 9.9196 10.7328 10.8660 11.2851 11.3413 19.1145 19.1162 22.6027 22.6342 k = 0.6250-0.0722 0.4082 ( 706 PWs) bands (ev): -4.1441 -4.1273 4.2520 4.2636 5.9756 6.0080 6.2931 6.3128 8.1512 8.2410 9.1743 9.2510 9.8874 9.9196 10.7328 10.8660 11.2851 11.3413 19.1145 19.1162 22.6027 22.6342 k = 0.6202-0.0694 0.4161 ( 706 PWs) bands (ev): -4.1440 -4.1272 4.2527 4.2644 5.9733 6.0056 6.2953 6.3152 8.1514 8.2411 9.1738 9.2507 9.8868 9.9193 10.7296 10.8629 11.2858 11.3443 19.1165 19.1186 22.6041 22.6357 k = 0.6154-0.0666 0.4240 ( 711 PWs) bands (ev): -4.1436 -4.1269 4.2549 4.2666 5.9667 5.9985 6.3015 6.3218 8.1519 8.2413 9.1721 9.2499 9.8848 9.9182 10.7200 10.8540 11.2881 11.3524 19.1226 19.1258 22.6084 22.6399 k = 0.6106-0.0638 0.4318 ( 711 PWs) bands (ev): -4.1430 -4.1262 4.2586 4.2704 5.9563 5.9873 6.3114 6.3323 8.1529 8.2419 9.1696 9.2487 9.8818 9.9165 10.7050 10.8396 11.2927 11.3646 19.1331 19.1374 22.6154 22.6470 k = 0.6058-0.0611 0.4397 ( 707 PWs) bands (ev): -4.1422 -4.1253 4.2637 4.2757 5.9428 5.9729 6.3242 6.3458 8.1543 8.2428 9.1662 9.2472 9.8776 9.9141 10.6854 10.8205 11.2998 11.3795 19.1477 19.1532 22.6254 22.6570 k = 0.6010-0.0583 0.4475 ( 707 PWs) bands (ev): -4.1412 -4.1242 4.2703 4.2825 5.9269 5.9560 6.3392 6.3615 8.1561 8.2438 9.1616 9.2448 9.8724 9.9108 10.6624 10.7974 11.3087 11.3956 19.1662 19.1728 22.6382 22.6699 k = 0.5962-0.0555 0.4554 ( 707 PWs) bands (ev): -4.1400 -4.1229 4.2781 4.2906 5.9093 5.9373 6.3558 6.3786 8.1582 8.2451 9.1559 9.2417 9.8662 9.9065 10.6368 10.7714 11.3191 11.4121 19.1884 19.1960 22.6538 22.6857 k = 0.5913-0.0527 0.4632 ( 710 PWs) bands (ev): -4.1386 -4.1214 4.2873 4.3000 5.8905 5.9174 6.3733 6.3965 8.1608 8.2466 9.1487 9.2375 9.8591 9.9013 10.6098 10.7433 11.3303 11.4285 19.2139 19.2224 22.6724 22.7044 k = 0.5865-0.0500 0.4711 ( 709 PWs) bands (ev): -4.1369 -4.1197 4.2977 4.3107 5.8709 5.8966 6.3915 6.4150 8.1638 8.2483 9.1404 9.2324 9.8514 9.8952 10.5822 10.7141 11.3419 11.4444 19.2422 19.2514 22.6938 22.7259 k = 0.5817-0.0472 0.4789 ( 709 PWs) bands (ev): -4.1352 -4.1178 4.3091 4.3225 5.8508 5.8754 6.4099 6.4336 8.1672 8.2502 9.1307 9.2261 9.8431 9.8881 10.5548 10.6844 11.3535 11.4594 19.2730 19.2828 22.7180 22.7504 k = 0.5769-0.0444 0.4868 ( 709 PWs) bands (ev): -4.1333 -4.1157 4.3215 4.3354 5.8306 5.8540 6.4282 6.4520 8.1711 8.2523 9.1197 9.2186 9.8344 9.8801 10.5283 10.6548 11.3646 11.4733 19.3057 19.3159 22.7451 22.7776 k = 0.5721-0.0416 0.4946 ( 713 PWs) bands (ev): -4.1312 -4.1135 4.3348 4.3490 5.8104 5.8327 6.4461 6.4700 8.1752 8.2545 9.1071 9.2095 9.8252 9.8711 10.5031 10.6261 11.3750 11.4860 19.3398 19.3503 22.7748 22.8075 k = 0.5673-0.0389 0.5025 ( 713 PWs) bands (ev): -4.1291 -4.1112 4.3488 4.3635 5.7905 5.8116 6.4637 6.4874 8.1798 8.2568 9.0932 9.1991 9.8161 9.8615 10.4797 10.5985 11.3847 11.4974 19.3748 19.3854 22.8072 22.8400 k = 0.5625-0.0361 0.5103 ( 713 PWs) bands (ev): -4.1269 -4.1088 4.3633 4.3785 5.7711 5.7910 6.4805 6.5041 8.1847 8.2591 9.0781 9.1873 9.8072 9.8514 10.4585 10.5724 11.3933 11.5075 19.4102 19.4207 22.8418 22.8749 k = 0.5577-0.0333 0.5182 ( 711 PWs) bands (ev): -4.1246 -4.1064 4.3783 4.3940 5.7523 5.7710 6.4966 6.5199 8.1898 8.2613 9.0619 9.1743 9.7986 9.8411 10.4396 10.5482 11.4010 11.5163 19.4453 19.4556 22.8786 22.9117 k = 0.5529-0.0305 0.5260 ( 711 PWs) bands (ev): -4.1223 -4.1039 4.3935 4.4097 5.7343 5.7517 6.5118 6.5348 8.1951 8.2633 9.0447 9.1600 9.7905 9.8306 10.4231 10.5260 11.4076 11.5238 19.4797 19.4897 22.9169 22.9502 k = 0.5481-0.0278 0.5339 ( 708 PWs) bands (ev): -4.1200 -4.1015 4.4086 4.4254 5.7172 5.7335 6.5259 6.5486 8.2005 8.2651 9.0271 9.1448 9.7831 9.8203 10.4090 10.5059 11.4132 11.5301 19.5128 19.5225 22.9565 22.9899 k = 0.5433-0.0250 0.5417 ( 706 PWs) bands (ev): -4.1177 -4.0991 4.4235 4.4408 5.7012 5.7162 6.5390 6.5612 8.2058 8.2663 9.0092 9.1292 9.7763 9.8104 10.3972 10.4879 11.4179 11.5353 19.5443 19.5535 22.9966 23.0299 k = 0.5385-0.0222 0.5496 ( 708 PWs) bands (ev): -4.1155 -4.0967 4.4378 4.4556 5.6864 5.7002 6.5508 6.5726 8.2108 8.2670 8.9916 9.1135 9.7701 9.8010 10.3875 10.4721 11.4215 11.5393 19.5735 19.5822 23.0364 23.0697 k = 0.5337-0.0194 0.5574 ( 710 PWs) bands (ev): -4.1134 -4.0945 4.4514 4.4696 5.6730 5.6856 6.5613 6.5828 8.2155 8.2669 8.9748 9.0982 9.7648 9.7924 10.3798 10.4583 11.4243 11.5424 19.6003 19.6084 23.0751 23.1082 k = 0.5288-0.0167 0.5653 ( 710 PWs) bands (ev): -4.1115 -4.0925 4.4639 4.4826 5.6610 5.6726 6.5706 6.5916 8.2198 8.2661 8.9593 9.0840 9.7602 9.7848 10.3738 10.4466 11.4264 11.5447 19.6241 19.6317 23.1116 23.1445 k = 0.5240-0.0139 0.5731 ( 710 PWs) bands (ev): -4.1097 -4.0906 4.4751 4.4943 5.6507 5.6613 6.5785 6.5992 8.2235 8.2647 8.9455 9.0712 9.7563 9.7782 10.3693 10.4370 11.4278 11.5462 19.6447 19.6519 23.1449 23.1775 k = 0.5192-0.0111 0.5810 ( 706 PWs) bands (ev): -4.1082 -4.0890 4.4849 4.5044 5.6422 5.6519 6.5851 6.6054 8.2267 8.2626 8.9339 9.0603 9.7531 9.7728 10.3662 10.4294 11.4287 11.5473 19.6620 19.6686 23.1738 23.2061 k = 0.5144-0.0083 0.5888 ( 704 PWs) bands (ev): -4.1069 -4.0876 4.4928 4.5126 5.6355 5.6444 6.5902 6.6102 8.2292 8.2602 8.9247 9.0516 9.7506 9.7687 10.3640 10.4236 11.4291 11.5478 19.6756 19.6819 23.1974 23.2293 k = 0.5096-0.0056 0.5967 ( 700 PWs) bands (ev): -4.1060 -4.0866 4.4987 4.5187 5.6307 5.6391 6.5938 6.6137 8.2310 8.2578 8.9182 9.0454 9.7488 9.7660 10.3627 10.4197 11.4293 11.5480 19.6854 19.6914 23.2147 23.2464 k = 0.5048-0.0028 0.6045 ( 700 PWs) bands (ev): -4.1054 -4.0860 4.5023 4.5224 5.6278 5.6358 6.5960 6.6157 8.2319 8.2560 8.9143 9.0417 9.7476 9.7642 10.3619 10.4174 11.4293 11.5480 19.6913 19.6972 23.2252 23.2567 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -4.1051 -4.0858 4.5035 4.5237 5.6268 5.6348 6.5967 6.6164 8.2322 8.2552 8.9130 9.0404 9.7471 9.7637 10.3617 10.4167 11.4292 11.5479 19.6933 19.6991 23.2288 23.2601 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -4.1051 -4.0858 4.5035 4.5237 5.6268 5.6348 6.5967 6.6164 8.2322 8.2552 8.9130 9.0404 9.7471 9.7637 10.3617 10.4167 11.4292 11.5479 19.6933 19.6991 23.2288 23.2601 k = 0.5000 0.0056 0.6045 ( 700 PWs) bands (ev): -4.1056 -4.0862 4.5039 4.5241 5.6255 5.6336 6.5953 6.6151 8.2316 8.2565 8.9147 9.0420 9.7480 9.7647 10.3620 10.4179 11.4302 11.5489 19.6940 19.6998 23.2229 23.2545 k = 0.5000 0.0111 0.5967 ( 702 PWs) bands (ev): -4.1069 -4.0876 4.5050 4.5252 5.6218 5.6301 6.5910 6.6111 8.2302 8.2600 8.9195 9.0466 9.7505 9.7677 10.3628 10.4217 11.4331 11.5518 19.6960 19.7019 23.2054 23.2374 k = 0.5000 0.0167 0.5888 ( 704 PWs) bands (ev): -4.1092 -4.0898 4.5067 4.5270 5.6156 5.6244 6.5839 6.6045 8.2289 8.2652 8.9274 9.0540 9.7546 9.7725 10.3647 10.4279 11.4379 11.5565 19.6994 19.7054 23.1764 23.2091 k = 0.5000 0.0222 0.5810 ( 706 PWs) bands (ev): -4.1123 -4.0930 4.5092 4.5294 5.6072 5.6165 6.5741 6.5952 8.2285 8.2719 8.9379 9.0638 9.7600 9.7791 10.3679 10.4366 11.4447 11.5631 19.7041 19.7103 23.1362 23.1698 k = 0.5000 0.0278 0.5731 ( 706 PWs) bands (ev): -4.1163 -4.0970 4.5123 4.5325 5.5966 5.6066 6.5616 6.5833 8.2296 8.2800 8.9505 9.0756 9.7666 9.7871 10.3730 10.4481 11.4533 11.5716 19.7101 19.7165 23.0853 23.1198 k = 0.5000 0.0333 0.5653 ( 706 PWs) bands (ev): -4.1211 -4.1019 4.5159 4.5362 5.5841 5.5948 6.5466 6.5690 8.2326 8.2898 8.9646 9.0888 9.7740 9.7962 10.3807 10.4623 11.4637 11.5818 19.7175 19.7242 23.0245 23.0598 k = 0.5000 0.0389 0.5574 ( 706 PWs) bands (ev): -4.1267 -4.1076 4.5199 4.5402 5.5699 5.5813 6.5292 6.5523 8.2379 8.3014 8.9797 9.1029 9.7818 9.8058 10.3914 10.4795 11.4759 11.5938 19.7263 19.7332 22.9546 22.9906 k = 0.5000 0.0444 0.5496 ( 708 PWs) bands (ev): -4.1332 -4.1141 4.5242 4.5446 5.5542 5.5662 6.5096 6.5332 8.2456 8.3150 8.9953 9.1173 9.7895 9.8155 10.4058 10.5001 11.4897 11.6073 19.7363 19.7435 22.8767 22.9133 k = 0.5000 0.0500 0.5417 ( 708 PWs) bands (ev): -4.1404 -4.1214 4.5287 4.5490 5.5374 5.5501 6.4880 6.5121 8.2561 8.3308 9.0109 9.1317 9.7969 9.8248 10.4244 10.5243 11.5052 11.6224 19.7476 19.7551 22.7920 22.8290 k = 0.5000 0.0555 0.5339 ( 706 PWs) bands (ev): -4.1483 -4.1294 4.5331 4.5534 5.5198 5.5329 6.4646 6.4890 8.2694 8.3490 9.0263 9.1458 9.8035 9.8330 10.4478 10.5525 11.5222 11.6390 19.7602 19.7680 22.7015 22.7387 k = 0.5000 0.0611 0.5260 ( 706 PWs) bands (ev): -4.1570 -4.1382 4.5372 4.5576 5.5016 5.5152 6.4396 6.4643 8.2854 8.3695 9.0411 9.1592 9.8088 9.8399 10.4761 10.5845 11.5407 11.6570 19.7740 19.7822 22.6062 22.6435 k = 0.5000 0.0666 0.5182 ( 708 PWs) bands (ev): -4.1663 -4.1477 4.5408 4.5612 5.4832 5.4972 6.4133 6.4380 8.3041 8.3922 9.0551 9.1719 9.8127 9.8450 10.5095 10.6206 11.5604 11.6762 19.7891 19.7976 22.5071 22.5443 k = 0.5000 0.0722 0.5103 ( 708 PWs) bands (ev): -4.1762 -4.1578 4.5438 4.5641 5.4650 5.4794 6.3859 6.4106 8.3255 8.4172 9.0683 9.1836 9.8148 9.8484 10.5478 10.6607 11.5816 11.6967 19.8053 19.8142 22.4049 22.4419 k = 0.5000 0.0777 0.5025 ( 708 PWs) bands (ev): -4.1868 -4.1685 4.5459 4.5661 5.4473 5.4620 6.3576 6.3822 8.3494 8.4444 9.0805 9.1945 9.8151 9.8499 10.5909 10.7047 11.6039 11.7183 19.8227 19.8319 22.3004 22.3370 k = 0.5000 0.0833 0.4946 ( 708 PWs) bands (ev): -4.1978 -4.1797 4.5467 4.5667 5.4307 5.4455 6.3287 6.3531 8.3756 8.4735 9.0918 9.2044 9.8135 9.8497 10.6383 10.7522 11.6274 11.7409 19.8411 19.8507 22.1941 22.2304 k = 0.5000 0.0888 0.4868 ( 706 PWs) bands (ev): -4.2094 -4.1915 4.5460 4.5659 5.4153 5.4303 6.2995 6.3235 8.4038 8.5045 9.1023 9.2135 9.8102 9.8480 10.6895 10.8030 11.6519 11.7645 19.8605 19.8704 22.0866 22.1224 k = 0.5000 0.0944 0.4789 ( 702 PWs) bands (ev): -4.2214 -4.2037 4.5436 4.5633 5.4017 5.4167 6.2700 6.2936 8.4340 8.5372 9.1119 9.2218 9.8052 9.8450 10.7442 10.8568 11.6776 11.7891 19.8808 19.8911 21.9784 22.0137 k = 0.5000 0.0999 0.4711 ( 702 PWs) bands (ev): -4.2338 -4.2163 4.5391 4.5586 5.3900 5.4051 6.2405 6.2635 8.4657 8.5712 9.1207 9.2292 9.7988 9.8408 10.8016 10.9130 11.7040 11.8143 19.9018 19.9125 21.8698 21.9046 k = 0.5000 0.1055 0.4632 ( 706 PWs) bands (ev): -4.2466 -4.2294 4.5324 4.5516 5.3806 5.3955 6.2110 6.2335 8.4988 8.6063 9.1286 9.2358 9.7910 9.8355 10.8614 10.9712 11.7311 11.8402 19.9235 19.9345 21.7613 21.7955 k = 0.5000 0.1110 0.4554 ( 706 PWs) bands (ev): -4.2597 -4.2427 4.5235 4.5423 5.3737 5.3885 6.1819 6.2038 8.5330 8.6425 9.1359 9.2419 9.7823 9.8294 10.9231 11.0313 11.7591 11.8667 19.9457 19.9570 21.6533 21.6868 k = 0.5000 0.1166 0.4475 ( 704 PWs) bands (ev): -4.2730 -4.2563 4.5122 4.5306 5.3695 5.3842 6.1532 6.1744 8.5681 8.6795 9.1426 9.2474 9.7728 9.8227 10.9864 11.0928 11.7878 11.8938 19.9681 19.9797 21.5463 21.5791 k = 0.5000 0.1221 0.4397 ( 706 PWs) bands (ev): -4.2865 -4.2701 4.4986 4.5166 5.3679 5.3824 6.1249 6.1454 8.6038 8.7169 9.1488 9.2523 9.7628 9.8154 11.0506 11.1551 11.8170 11.9212 19.9904 20.0023 21.4405 21.4726 k = 0.5000 0.1277 0.4318 ( 706 PWs) bands (ev): -4.3001 -4.2841 4.4827 4.5002 5.3690 5.3832 6.0973 6.1171 8.6399 8.7547 9.1545 9.2568 9.7523 9.8078 11.1158 11.2182 11.8467 11.9490 20.0123 20.0245 21.3366 21.3680 k = 0.5000 0.1332 0.4240 ( 706 PWs) bands (ev): -4.3138 -4.2981 4.4647 4.4818 5.3726 5.3866 6.0704 6.0894 8.6762 8.7926 9.1598 9.2609 9.7416 9.7998 11.1814 11.2817 11.8769 11.9770 20.0333 20.0457 21.2353 21.2658 k = 0.5000 0.1388 0.4161 ( 706 PWs) bands (ev): -4.3276 -4.3123 4.4449 4.4615 5.3785 5.3923 6.0442 6.0625 8.7125 8.8303 9.1648 9.2646 9.7308 9.7917 11.2473 11.3454 11.9073 12.0051 20.0527 20.0652 21.1372 21.1667 k = 0.5000 0.1443 0.4082 ( 702 PWs) bands (ev): -4.3413 -4.3264 4.4235 4.4395 5.3867 5.4001 6.0189 6.0364 8.7486 8.8678 9.1695 9.2681 9.7202 9.7836 11.3133 11.4091 11.9381 12.0335 20.0697 20.0821 21.0433 21.0718 k = 0.5000 0.1499 0.4004 ( 708 PWs) bands (ev): -4.3550 -4.3405 4.4007 4.4162 5.3966 5.4097 5.9942 6.0110 8.7841 8.9045 9.1737 9.2710 9.7096 9.7754 11.3790 11.4722 11.9688 12.0615 20.0830 20.0951 20.9552 20.9822 k = 0.5000 0.1554 0.3925 ( 708 PWs) bands (ev): -4.3686 -4.3545 4.3769 4.3918 5.4082 5.4210 5.9705 5.9865 8.8191 8.9406 9.1779 9.2739 9.6995 9.7675 11.4443 11.5350 11.9995 12.0893 20.0911 20.1024 20.8745 20.8997 k = 0.5000 0.1610 0.3847 ( 708 PWs) bands (ev): -4.3820 -4.3683 4.3523 4.3667 5.4212 5.4337 5.9478 5.9630 8.8531 8.9756 9.1820 9.2767 9.6898 9.7598 11.5090 11.5971 12.0301 12.1169 20.0917 20.1020 20.8035 20.8264 k = 0.5000 0.1665 0.3768 ( 708 PWs) bands (ev): -4.3952 -4.3820 4.3271 4.3410 5.4354 5.4475 5.9260 5.9404 8.8862 9.0095 9.1859 9.2792 9.6807 9.7524 11.5731 11.6583 12.0605 12.1441 20.0827 20.0914 20.7447 20.7646 k = 0.5000 0.1721 0.3690 ( 708 PWs) bands (ev): -4.4082 -4.3954 4.3018 4.3151 5.4504 5.4622 5.9051 5.9188 8.9180 9.0419 9.1898 9.2816 9.6724 9.7455 11.6362 11.7185 12.0905 12.1708 20.0617 20.0687 20.7002 20.7164 k = 0.5000 0.1776 0.3611 ( 706 PWs) bands (ev): -4.4208 -4.4085 4.2764 4.2891 5.4662 5.4776 5.8852 5.8982 8.9485 9.0727 9.1938 9.2839 9.6649 9.7390 11.6985 11.7776 12.1201 12.1968 20.0276 20.0337 20.6706 20.6829 k = 0.5000 0.1832 0.3533 ( 706 PWs) bands (ev): -4.4331 -4.4214 4.2512 4.2634 5.4824 5.4933 5.8663 5.8786 8.9775 9.1016 9.1978 9.2861 9.6583 9.7330 11.7594 11.8353 12.1491 12.2222 19.9810 19.9875 20.6549 20.6634 k = 0.5000 0.1887 0.3454 ( 706 PWs) bands (ev): -4.4451 -4.4338 4.2263 4.2379 5.4988 5.5093 5.8484 5.8599 9.0048 9.1282 9.2021 9.2881 9.6527 9.7276 11.8190 11.8915 12.1774 12.2467 19.9245 19.9323 20.6504 20.6556 k = 0.5000 0.1943 0.3376 ( 704 PWs) bands (ev): -4.4566 -4.4458 4.2021 4.2131 5.5154 5.5254 5.8315 5.8423 9.0304 9.1522 9.2069 9.2901 9.6484 9.7229 11.8771 11.9460 12.2050 12.2704 19.8616 19.8706 20.6543 20.6570 k = 0.5000 0.1999 0.3297 ( 704 PWs) bands (ev): -4.4676 -4.4574 4.1785 4.1889 5.5318 5.5413 5.8157 5.8257 9.0542 9.1728 9.2129 9.2919 9.6452 9.7188 11.9336 11.9987 12.2317 12.2930 19.7949 19.8049 20.6640 20.6650 k = 0.5000 0.2054 0.3219 ( 704 PWs) bands (ev): -4.4781 -4.4685 4.1558 4.1656 5.5479 5.5569 5.8008 5.8101 9.0760 9.1888 9.2212 9.2936 9.6433 9.7153 11.9882 12.0494 12.2574 12.3146 19.7266 19.7372 20.6770 20.6781 k = 0.5000 0.2110 0.3140 ( 704 PWs) bands (ev): -4.4881 -4.4791 4.1341 4.1433 5.5636 5.5720 5.7870 5.7956 9.0959 9.1994 9.2325 9.2953 9.6427 9.7124 12.0408 12.0979 12.2821 12.3350 19.6584 19.6692 20.6921 20.6941 k = 0.5000 0.2165 0.3062 ( 710 PWs) bands (ev): -4.4976 -4.4891 4.1135 4.1221 5.5784 5.5862 5.7743 5.7822 9.1138 9.2060 9.2451 9.2968 9.6432 9.7101 12.0910 12.1438 12.3058 12.3542 19.5915 19.6023 20.7089 20.7115 k = 0.5000 0.2221 0.2983 ( 706 PWs) bands (ev): -4.5064 -4.4985 4.0941 4.1020 5.5928 5.6001 5.7627 5.7698 9.1300 9.2108 9.2575 9.2984 9.6451 9.7084 12.1389 12.1873 12.3284 12.3723 19.5268 19.5373 20.7264 20.7295 k = 0.5000 0.2276 0.2905 ( 706 PWs) bands (ev): -4.5146 -4.5073 4.0760 4.0833 5.6064 5.6129 5.7522 5.7586 9.1443 9.2146 9.2685 9.2999 9.6480 9.7072 12.1841 12.2277 12.3498 12.3891 19.4650 19.4752 20.7441 20.7474 k = 0.5000 0.2332 0.2826 ( 712 PWs) bands (ev): -4.5221 -4.5155 4.0592 4.0659 5.6188 5.6247 5.7427 5.7483 9.1567 9.2176 9.2778 9.3010 9.6517 9.7063 12.2262 12.2648 12.3702 12.4045 19.4069 19.4165 20.7613 20.7647 k = 0.5000 0.2387 0.2748 ( 712 PWs) bands (ev): -4.5290 -4.5230 4.0439 4.0499 5.6302 5.6353 5.7346 5.7394 9.1676 9.2202 9.2856 9.3023 9.6562 9.7059 12.2652 12.2983 12.3896 12.4187 19.3528 19.3618 20.7778 20.7812 k = 0.5000 0.2443 0.2669 ( 710 PWs) bands (ev): -4.5352 -4.5298 4.0301 4.0354 5.6402 5.6446 5.7278 5.7318 9.1772 9.2223 9.2921 9.3037 9.6612 9.7056 12.3007 12.3281 12.4081 12.4318 19.3033 19.3116 20.7933 20.7965 k = 0.5000 0.2498 0.2591 ( 710 PWs) bands (ev): -4.5406 -4.5359 4.0178 4.0225 5.6489 5.6523 5.7224 5.7256 9.1855 9.2238 9.2972 9.3048 9.6664 9.7054 12.3324 12.3538 12.4255 12.4437 19.2588 19.2662 20.8074 20.8104 k = 0.5000 0.2554 0.2512 ( 710 PWs) bands (ev): -4.5453 -4.5413 4.0071 4.0112 5.6559 5.6584 5.7184 5.7207 9.1927 9.2249 9.3012 9.3059 9.6717 9.7051 12.3599 12.3753 12.4417 12.4545 19.2196 19.2261 20.8201 20.8228 k = 0.5000 0.2609 0.2434 ( 710 PWs) bands (ev): -4.5493 -4.5459 3.9981 4.0014 5.6611 5.6629 5.7159 5.7173 9.1989 9.2254 9.3042 9.3069 9.6770 9.7047 12.3829 12.3929 12.4563 12.4645 19.1860 19.1915 20.8311 20.8334 k = 0.5000 0.2665 0.2355 ( 710 PWs) bands (ev): -4.5525 -4.5498 3.9907 3.9934 5.6647 5.6657 5.7147 5.7154 9.2043 9.2253 9.3064 9.3078 9.6819 9.7041 12.4012 12.4068 12.4688 12.4736 19.1583 19.1628 20.8403 20.8422 k = 0.5000 0.2720 0.2277 ( 710 PWs) bands (ev): -4.5549 -4.5529 3.9850 3.9870 5.6669 5.6673 5.7143 5.7146 9.2090 9.2246 9.3080 9.3086 9.6865 9.7031 12.4148 12.4173 12.4787 12.4817 19.1366 19.1400 20.8476 20.8490 k = 0.5000 0.2776 0.2198 ( 710 PWs) bands (ev): -4.5565 -4.5552 3.9810 3.9824 5.6680 5.6681 5.7145 5.7145 9.2130 9.2234 9.3090 9.3092 9.6907 9.7017 12.4240 12.4248 12.4860 12.4881 19.1212 19.1235 20.8529 20.8539 k = 0.5000 0.2831 0.2120 ( 712 PWs) bands (ev): -4.5574 -4.5567 3.9788 3.9794 5.6684 5.6684 5.7146 5.7146 9.2164 9.2216 9.3095 9.3095 9.6942 9.6997 12.4292 12.4293 12.4908 12.4919 19.1121 19.1133 20.8562 20.8567 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -4.5575 -4.5575 3.9782 3.9782 5.6683 5.6683 5.7145 5.7145 9.2192 9.2192 9.3096 9.3096 9.6971 9.6971 12.4307 12.4307 12.4927 12.4927 19.1095 19.1095 20.8575 20.8575 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -4.5575 -4.5575 3.9782 3.9782 5.6683 5.6683 5.7145 5.7145 9.2192 9.2192 9.3096 9.3096 9.6971 9.6971 12.4307 12.4307 12.4927 12.4927 19.1095 19.1095 20.8575 20.8575 k = 0.4972 0.2871 0.2132 ( 711 PWs) bands (ev): -4.5574 -4.5567 3.9788 3.9794 5.6684 5.6684 5.7146 5.7146 9.2164 9.2216 9.3096 9.3096 9.6942 9.6997 12.4292 12.4293 12.4908 12.4919 19.1121 19.1133 20.8562 20.8567 k = 0.4944 0.2855 0.2223 ( 709 PWs) bands (ev): -4.5565 -4.5552 3.9810 3.9824 5.6680 5.6681 5.7145 5.7145 9.2130 9.2234 9.3091 9.3091 9.6907 9.7017 12.4242 12.4246 12.4861 12.4880 19.1212 19.1235 20.8529 20.8539 k = 0.4917 0.2839 0.2313 ( 709 PWs) bands (ev): -4.5549 -4.5529 3.9850 3.9870 5.6669 5.6673 5.7144 5.7146 9.2090 9.2247 9.3083 9.3083 9.6865 9.7031 12.4153 12.4168 12.4792 12.4813 19.1367 19.1401 20.8476 20.8490 k = 0.4889 0.2823 0.2404 ( 709 PWs) bands (ev): -4.5525 -4.5498 3.9907 3.9934 5.6648 5.6657 5.7147 5.7154 9.2043 9.2253 9.3072 9.3072 9.6819 9.7041 12.4022 12.4056 12.4706 12.4719 19.1584 19.1628 20.8402 20.8422 k = 0.4861 0.2807 0.2495 ( 709 PWs) bands (ev): -4.5493 -4.5459 3.9981 4.0015 5.6612 5.6629 5.7159 5.7173 9.1990 9.2253 9.3055 9.3056 9.6770 9.7048 12.3845 12.3907 12.4605 12.4607 19.1861 19.1916 20.8310 20.8334 k = 0.4833 0.2791 0.2586 ( 709 PWs) bands (ev): -4.5453 -4.5413 4.0072 4.0112 5.6559 5.6585 5.7184 5.7206 9.1928 9.2248 9.3034 9.3037 9.6717 9.7052 12.3623 12.3718 12.4473 12.4498 19.2197 19.2262 20.8201 20.8228 k = 0.4806 0.2774 0.2676 ( 709 PWs) bands (ev): -4.5406 -4.5359 4.0179 4.0225 5.6490 5.6525 5.7223 5.7254 9.1858 9.2236 9.3005 9.3014 9.6665 9.7055 12.3355 12.3488 12.4329 12.4379 19.2589 19.2663 20.8075 20.8105 k = 0.4778 0.2758 0.2767 ( 709 PWs) bands (ev): -4.5351 -4.5298 4.0301 4.0355 5.6405 5.6449 5.7276 5.7315 9.1779 9.2217 9.2968 9.2986 9.6613 9.7057 12.3046 12.3216 12.4172 12.4250 19.3033 19.3116 20.7934 20.7966 k = 0.4750 0.2742 0.2858 ( 711 PWs) bands (ev): -4.5289 -4.5230 4.0440 4.0500 5.6306 5.6358 5.7341 5.7389 9.1688 9.2192 9.2920 9.2953 9.6564 9.7061 12.2698 12.2905 12.4005 12.4108 19.3526 19.3615 20.7782 20.7815 k = 0.4722 0.2726 0.2948 ( 713 PWs) bands (ev): -4.5221 -4.5155 4.0593 4.0659 5.6196 5.6255 5.7418 5.7473 9.1583 9.2159 9.2859 9.2917 9.6522 9.7069 12.2315 12.2557 12.3826 12.3954 19.4062 19.4157 20.7620 20.7654 k = 0.4694 0.2710 0.3039 ( 711 PWs) bands (ev): -4.5145 -4.5073 4.0760 4.0833 5.6076 5.6143 5.7507 5.7569 9.1467 9.2120 9.2784 9.2876 9.6489 9.7080 12.1901 12.2177 12.3636 12.3787 19.4635 19.4734 20.7455 20.7486 k = 0.4667 0.2694 0.3130 ( 707 PWs) bands (ev): -4.5063 -4.4985 4.0941 4.1020 5.5948 5.6022 5.7609 5.7678 9.1336 9.2073 9.2693 9.2833 9.6467 9.7098 12.1458 12.1767 12.3435 12.3609 19.5239 19.5340 20.7290 20.7318 k = 0.4639 0.2678 0.3221 ( 709 PWs) bands (ev): -4.4975 -4.4890 4.1134 4.1219 5.5811 5.5892 5.7718 5.7794 9.1185 9.2015 9.2583 9.2784 9.6458 9.7122 12.0989 12.1329 12.3222 12.3417 19.5863 19.5964 20.7133 20.7155 k = 0.4611 0.2662 0.3311 ( 707 PWs) bands (ev): -4.4880 -4.4790 4.1338 4.1429 5.5671 5.5758 5.7837 5.7919 9.1018 9.1945 9.2460 9.2734 9.6465 9.7154 12.0497 12.0867 12.2998 12.3212 19.6498 19.6596 20.6994 20.7007 k = 0.4583 0.2646 0.3402 ( 707 PWs) bands (ev): -4.4780 -4.4684 4.1553 4.1650 5.5527 5.5621 5.7964 5.8052 9.0831 9.1853 9.2328 9.2682 9.6488 9.7195 11.9985 12.0383 12.2761 12.2994 19.7129 19.7219 20.6887 20.6887 k = 0.4556 0.2630 0.3493 ( 703 PWs) bands (ev): -4.4675 -4.4573 4.1776 4.1879 5.5382 5.5482 5.8100 5.8195 9.0624 9.1731 9.2200 9.2629 9.6528 9.7245 11.9455 11.9882 12.2513 12.2765 19.7737 19.7814 20.6811 20.6828 k = 0.4528 0.2614 0.3584 ( 703 PWs) bands (ev): -4.4565 -4.4457 4.2006 4.2114 5.5239 5.5345 5.8242 5.8343 9.0396 9.1564 9.2085 9.2573 9.6585 9.7305 11.8910 11.9365 12.2254 12.2523 19.8299 19.8359 20.6798 20.6840 k = 0.4500 0.2598 0.3674 ( 706 PWs) bands (ev): -4.4450 -4.4337 4.2241 4.2354 5.5098 5.5212 5.8391 5.8498 9.0145 9.1351 9.1988 9.2517 9.6658 9.7375 11.8353 11.8835 12.1983 12.2269 19.8790 19.8827 20.6874 20.6945 k = 0.4472 0.2582 0.3765 ( 706 PWs) bands (ev): -4.4331 -4.4213 4.2478 4.2597 5.4965 5.5085 5.8547 5.8660 8.9876 9.1099 9.1906 9.2462 9.6747 9.7454 11.7786 11.8295 12.1701 12.2004 19.9182 19.9192 20.7064 20.7167 k = 0.4444 0.2566 0.3856 ( 706 PWs) bands (ev): -4.4208 -4.4085 4.2716 4.2840 5.4840 5.4967 5.8709 5.8828 8.9585 9.0814 9.1833 9.2407 9.6850 9.7543 11.7212 11.7747 12.1410 12.1729 19.9437 19.9455 20.7385 20.7523 k = 0.4417 0.2550 0.3946 ( 702 PWs) bands (ev): -4.4081 -4.3954 4.2952 4.3079 5.4729 5.4863 5.8877 5.9003 8.9276 9.0502 9.1766 9.2355 9.6966 9.7641 11.6633 11.7194 12.1109 12.1444 19.9556 19.9601 20.7844 20.8015 k = 0.4389 0.2534 0.4037 ( 702 PWs) bands (ev): -4.3952 -4.3820 4.3181 4.3313 5.4633 5.4773 5.9050 5.9181 8.8948 9.0166 9.1703 9.2304 9.7095 9.7747 11.6050 11.6638 12.0799 12.1149 19.9559 19.9624 20.8434 20.8633 k = 0.4361 0.2518 0.4128 ( 703 PWs) bands (ev): -4.3820 -4.3684 4.3402 4.3536 5.4555 5.4703 5.9226 5.9364 8.8603 8.9809 9.1644 9.2255 9.7234 9.7861 11.5467 11.6081 12.0480 12.0845 19.9460 19.9542 20.9137 20.9359 k = 0.4333 0.2502 0.4219 ( 703 PWs) bands (ev): -4.3687 -4.3546 4.3609 4.3747 5.4501 5.4656 5.9407 5.9550 8.8241 8.9434 9.1588 9.2208 9.7382 9.7981 11.4884 11.5525 12.0153 12.0533 19.9279 19.9372 20.9929 21.0170 k = 0.4306 0.2486 0.4309 ( 705 PWs) bands (ev): -4.3552 -4.3408 4.3800 4.3940 5.4472 5.4636 5.9591 5.9739 8.7866 8.9044 9.1535 9.2165 9.7539 9.8107 11.4303 11.4971 11.9819 12.0213 19.9035 19.9135 21.0791 21.1046 k = 0.4278 0.2470 0.4400 ( 705 PWs) bands (ev): -4.3416 -4.3268 4.3971 4.4113 5.4475 5.4647 5.9778 5.9932 8.7479 8.8641 9.1486 9.2126 9.7703 9.8238 11.3728 11.4425 11.9479 11.9886 19.8742 19.8846 21.1704 21.1970 k = 0.4250 0.2454 0.4491 ( 706 PWs) bands (ev): -4.3280 -4.3128 4.4118 4.4261 5.4510 5.4691 5.9966 6.0126 8.7082 8.8228 9.1440 9.2089 9.7872 9.8372 11.3161 11.3886 11.9132 11.9552 19.8412 19.8518 21.2651 21.2927 k = 0.4222 0.2438 0.4581 ( 706 PWs) bands (ev): -4.3144 -4.2989 4.4239 4.4382 5.4582 5.4772 6.0157 6.0321 8.6677 8.7807 9.1399 9.2058 9.8045 9.8507 11.2602 11.3357 11.8781 11.9213 19.8054 19.8160 21.3621 21.3905 k = 0.4194 0.2422 0.4672 ( 702 PWs) bands (ev): -4.3008 -4.2851 4.4330 4.4474 5.4692 5.4892 6.0349 6.0518 8.6267 8.7382 9.1364 9.2033 9.8221 9.8643 11.2055 11.2842 11.8426 11.8870 19.7675 19.7779 21.4602 21.4893 k = 0.4167 0.2406 0.4763 ( 702 PWs) bands (ev): -4.2875 -4.2714 4.4390 4.4534 5.4840 5.5050 6.0540 6.0714 8.5854 8.6953 9.1333 9.2012 9.8398 9.8777 11.1520 11.2340 11.8067 11.8522 19.7280 19.7383 21.5585 21.5881 k = 0.4139 0.2390 0.4854 ( 702 PWs) bands (ev): -4.2743 -4.2580 4.4419 4.4562 5.5027 5.5247 6.0731 6.0909 8.5442 8.6525 9.1308 9.1996 9.8573 9.8907 11.1001 11.1856 11.7704 11.8171 19.6875 19.6974 21.6561 21.6862 k = 0.4111 0.2374 0.4944 ( 702 PWs) bands (ev): -4.2613 -4.2448 4.4417 4.4559 5.5251 5.5481 6.0920 6.1103 8.5032 8.6101 9.1288 9.1986 9.8745 9.9031 11.0500 11.1393 11.7340 11.7818 19.6462 19.6558 21.7522 21.7827 k = 0.4083 0.2358 0.5035 ( 702 PWs) bands (ev): -4.2487 -4.2320 4.4385 4.4526 5.5510 5.5750 6.1107 6.1294 8.4628 8.5683 9.1276 9.1982 9.8911 9.9145 11.0021 11.0953 11.6974 11.7462 19.6045 19.6136 21.8460 21.8770 k = 0.4056 0.2341 0.5126 ( 704 PWs) bands (ev): -4.2365 -4.2196 4.4325 4.4464 5.5800 5.6050 6.1292 6.1482 8.4233 8.5273 9.1270 9.1985 9.9067 9.9248 10.9564 11.0538 11.6609 11.7106 19.5624 19.5710 21.9370 21.9683 k = 0.4028 0.2325 0.5217 ( 704 PWs) bands (ev): -4.2246 -4.2077 4.4239 4.4377 5.6118 5.6377 6.1473 6.1666 8.3851 8.4878 9.1271 9.1995 9.9212 9.9337 10.9137 11.0155 11.6243 11.6750 19.5203 19.5284 22.0244 22.0559 k = 0.4000 0.2309 0.5307 ( 703 PWs) bands (ev): -4.2133 -4.1962 4.4130 4.4266 5.6459 5.6728 6.1650 6.1846 8.3485 8.4499 9.1281 9.2012 9.9340 9.9407 10.8743 10.9807 11.5880 11.6395 19.4783 19.4858 22.1076 22.1394 k = 0.3972 0.2293 0.5398 ( 705 PWs) bands (ev): -4.2026 -4.1854 4.4000 4.4135 5.6818 5.7096 6.1822 6.2020 8.3139 8.4140 9.1298 9.2037 9.9448 9.9455 10.8385 10.9495 11.5519 11.6041 19.4364 19.4434 22.1860 22.2180 k = 0.3944 0.2277 0.5489 ( 707 PWs) bands (ev): -4.1925 -4.1752 4.3853 4.3985 5.7191 5.7478 6.1987 6.2187 8.2816 8.3804 9.1323 9.2068 9.9480 9.9531 10.8069 10.9225 11.5160 11.5690 19.3948 19.4012 22.2591 22.2912 k = 0.3917 0.2261 0.5579 ( 707 PWs) bands (ev): -4.1830 -4.1658 4.3690 4.3821 5.7571 5.7867 6.2147 6.2348 8.2520 8.3496 9.1357 9.2109 9.9477 9.9585 10.7800 10.9000 11.4807 11.5344 19.3535 19.3593 22.3265 22.3587 k = 0.3889 0.2245 0.5670 ( 709 PWs) bands (ev): -4.1743 -4.1571 4.3515 4.3643 5.7955 5.8258 6.2299 6.2501 8.2255 8.3219 9.1399 9.2156 9.9445 9.9606 10.7583 10.8822 11.4459 11.5002 19.3126 19.3177 22.3879 22.4201 k = 0.3861 0.2229 0.5761 ( 707 PWs) bands (ev): -4.1664 -4.1492 4.3330 4.3456 5.8338 5.8647 6.2444 6.2646 8.2025 8.2977 9.1451 9.2212 9.9385 9.9593 10.7420 10.8693 11.4119 11.4667 19.2722 19.2766 22.4431 22.4753 k = 0.3833 0.2213 0.5852 ( 709 PWs) bands (ev): -4.1594 -4.1423 4.3135 4.3259 5.8713 5.9028 6.2580 6.2782 8.1833 8.2772 9.1511 9.2275 9.9294 9.9543 10.7313 10.8613 11.3786 11.4339 19.2321 19.2359 22.4921 22.5241 k = 0.3806 0.2197 0.5942 ( 707 PWs) bands (ev): -4.1533 -4.1363 4.2934 4.3056 5.9077 5.9397 6.2707 6.2908 8.1681 8.2607 9.1581 9.2347 9.9176 9.9457 10.7264 10.8583 11.3464 11.4021 19.1925 19.1956 22.5348 22.5667 k = 0.3778 0.2181 0.6033 ( 706 PWs) bands (ev): -4.1482 -4.1313 4.2729 4.2848 5.9426 5.9749 6.2824 6.3024 8.1574 8.2486 9.1658 9.2425 9.9035 9.9341 10.7270 10.8599 11.3151 11.3711 19.1533 19.1557 22.5716 22.6033 k = 0.3750 0.2165 0.6124 ( 706 PWs) bands (ev): -4.1441 -4.1274 4.2520 4.2636 5.9756 6.0080 6.2931 6.3128 8.1512 8.2410 9.1743 9.2510 9.8874 9.9196 10.7328 10.8659 11.2851 11.3413 19.1145 19.1162 22.6027 22.6342 k = 0.6250-0.0722 0.4082 ( 706 PWs) bands (ev): -4.1441 -4.1273 4.2520 4.2636 5.9756 6.0080 6.2931 6.3128 8.1512 8.2410 9.1743 9.2510 9.8874 9.9196 10.7328 10.8660 11.2851 11.3413 19.1145 19.1162 22.6027 22.6342 k = 0.6202-0.0805 0.4082 ( 706 PWs) bands (ev): -4.1382 -4.1218 4.2157 4.2269 6.0297 6.0623 6.3106 6.3299 8.1466 8.2335 9.1896 9.2661 9.8594 9.8941 10.7462 10.8793 11.2346 11.2911 19.0477 19.0482 22.6490 22.6801 k = 0.6154-0.0888 0.4082 ( 710 PWs) bands (ev): -4.1330 -4.1169 4.1799 4.1906 6.0817 6.1141 6.3279 6.3468 8.1460 8.2298 9.2047 9.2808 9.8340 9.8715 10.7578 10.8910 11.1849 11.2418 18.9806 18.9813 22.6893 22.7198 k = 0.6106-0.0972 0.4082 ( 710 PWs) bands (ev): -4.1283 -4.1126 4.1446 4.1548 6.1313 6.1633 6.3451 6.3634 8.1492 8.2296 9.2200 9.2956 9.8116 9.8520 10.7675 10.9009 11.1363 11.1935 18.9135 18.9153 22.7237 22.7536 k = 0.6058-0.1055 0.4082 ( 710 PWs) bands (ev): -4.1241 -4.1088 4.1099 4.1196 6.1782 6.2096 6.3620 6.3799 8.1560 8.2326 9.2352 9.3103 9.7923 9.8359 10.7752 10.9089 11.0888 11.1465 18.8469 18.8498 22.7523 22.7814 k = 0.6010-0.1138 0.4082 ( 710 PWs) bands (ev): -4.1204 -4.1056 4.0760 4.0852 6.2223 6.2528 6.3787 6.3960 8.1659 8.2385 9.2504 9.3247 9.7765 9.8235 10.7806 10.9147 11.0428 11.1007 18.7811 18.7850 22.7753 22.8036 k = 0.5962-0.1221 0.4082 ( 710 PWs) bands (ev): -4.1171 -4.1028 4.0430 4.0517 6.2634 6.2929 6.3951 6.4118 8.1787 8.2468 9.2655 9.3388 9.7644 9.8151 10.7835 10.9177 10.9987 11.0564 18.7161 18.7209 22.7929 22.8204 k = 0.5913-0.1305 0.4082 ( 710 PWs) bands (ev): -4.1142 -4.1004 4.0109 4.0191 6.3015 6.3297 6.4111 6.4271 8.1938 8.2572 9.2806 9.3527 9.7564 9.8109 10.7837 10.9154 10.9589 11.0139 18.6520 18.6578 22.8056 22.8321 k = 0.5865-0.1388 0.4082 ( 704 PWs) bands (ev): -4.1116 -4.0984 3.9799 3.9877 6.3367 6.3635 6.4267 6.4421 8.2109 8.2694 9.2957 9.3663 9.7527 9.8112 10.7809 10.8967 10.9349 10.9735 18.5892 18.5957 22.8138 22.8392 k = 0.5817-0.1471 0.4082 ( 704 PWs) bands (ev): -4.1095 -4.0968 3.9501 3.9574 6.3688 6.3940 6.4419 6.4566 8.2288 8.2823 9.3107 9.3795 9.7536 9.8160 10.7744 10.8612 10.9267 10.9357 18.5277 18.5349 22.8179 22.8422 k = 0.5769-0.1554 0.4082 ( 706 PWs) bands (ev): -4.1076 -4.0955 3.9214 3.9283 6.3980 6.4215 6.4566 6.4706 8.2471 8.2954 9.3255 9.3924 9.7591 9.8255 10.7638 10.8230 10.9009 10.9201 18.4677 18.4755 22.8183 22.8414 k = 0.5721-0.1638 0.4082 ( 706 PWs) bands (ev): -4.1059 -4.0945 3.8942 3.9006 6.4245 6.4462 6.4709 6.4840 8.2656 8.3088 9.3403 9.4048 9.7695 9.8399 10.7487 10.7855 10.8696 10.9121 18.4096 18.4178 22.8156 22.8375 k = 0.5673-0.1721 0.4082 ( 710 PWs) bands (ev): -4.1045 -4.0937 3.8683 3.8743 6.4482 6.4680 6.4845 6.4967 8.2834 8.3215 9.3547 9.4166 9.7846 9.8591 10.7290 10.7495 10.8418 10.9017 18.3534 18.3620 22.8103 22.8309 k = 0.5625-0.1804 0.4082 ( 710 PWs) bands (ev): -4.1033 -4.0932 3.8439 3.8495 6.4696 6.4872 6.4978 6.5088 8.3003 8.3337 9.3690 9.4281 9.8046 9.8830 10.7057 10.7153 10.8169 10.8888 18.2996 18.3084 22.8030 22.8222 k = 0.5577-0.1887 0.4082 ( 712 PWs) bands (ev): -4.1023 -4.0928 3.8211 3.8262 6.4886 6.5038 6.5107 6.5202 8.3159 8.3446 9.3829 9.4389 9.8293 9.9114 10.6799 10.6830 10.7936 10.8733 18.2483 18.2571 22.7941 22.8119 k = 0.5529-0.1971 0.4082 ( 712 PWs) bands (ev): -4.1014 -4.0927 3.7999 3.8045 6.5055 6.5178 6.5234 6.5309 8.3300 8.3546 9.3965 9.4491 9.8582 9.9439 10.6530 10.6530 10.7707 10.8551 18.1998 18.2086 22.7841 22.8005 k = 0.5481-0.2054 0.4082 ( 712 PWs) bands (ev): -4.1006 -4.0926 3.7804 3.7846 6.5204 6.5296 6.5356 6.5407 8.3425 8.3632 9.4096 9.4586 9.8911 9.9803 10.6252 10.6259 10.7474 10.8341 18.1544 18.1630 22.7734 22.7884 k = 0.5433-0.2137 0.4082 ( 712 PWs) bands (ev): -4.0999 -4.0927 3.7626 3.7663 6.5335 6.5400 6.5466 6.5498 8.3533 8.3705 9.4220 9.4672 9.9275 10.0198 10.5994 10.5999 10.7229 10.8104 18.1124 18.1207 22.7625 22.7761 k = 0.5385-0.2221 0.4082 ( 712 PWs) bands (ev): -4.0993 -4.0928 3.7465 3.7499 6.5449 6.5493 6.5562 6.5579 8.3625 8.3766 9.4339 9.4749 9.9669 10.0620 10.5740 10.5772 10.6973 10.7839 18.0741 18.0818 22.7518 22.7639 k = 0.5337-0.2304 0.4082 ( 712 PWs) bands (ev): -4.0988 -4.0931 3.7323 3.7352 6.5548 6.5575 6.5645 6.5651 8.3701 8.3816 9.4449 9.4817 10.0085 10.1061 10.5498 10.5573 10.6704 10.7548 18.0396 18.0467 22.7416 22.7522 k = 0.5288-0.2387 0.4082 ( 712 PWs) bands (ev): -4.0983 -4.0934 3.7199 3.7224 6.5632 6.5648 6.5713 6.5714 8.3764 8.3855 9.4552 9.4873 10.0517 10.1512 10.5271 10.5404 10.6427 10.7231 18.0093 18.0157 22.7323 22.7414 k = 0.5240-0.2470 0.4082 ( 708 PWs) bands (ev): -4.0978 -4.0937 3.7095 3.7115 6.5703 6.5711 6.5766 6.5771 8.3815 8.3886 9.4645 9.4918 10.0959 10.1963 10.5061 10.5267 10.6149 10.6891 17.9834 17.9888 22.7240 22.7316 k = 0.5192-0.2554 0.4082 ( 704 PWs) bands (ev): -4.0973 -4.0940 3.7009 3.7025 6.5760 6.5764 6.5809 6.5815 8.3856 8.3909 9.4729 9.4950 10.1402 10.2395 10.4871 10.5166 10.5879 10.6530 17.9620 17.9665 22.7171 22.7232 k = 0.5144-0.2637 0.4082 ( 704 PWs) bands (ev): -4.0969 -4.0944 3.6942 3.6955 6.5805 6.5807 6.5842 6.5847 8.3885 8.3924 9.4801 9.4969 10.1836 10.2776 10.4716 10.5097 10.5631 10.6151 17.9453 17.9488 22.7117 22.7163 k = 0.5096-0.2720 0.4082 ( 704 PWs) bands (ev): -4.0965 -4.0948 3.6895 3.6903 6.5838 6.5839 6.5864 6.5869 8.3907 8.3932 9.4862 9.4975 10.2249 10.3038 10.4646 10.5064 10.5422 10.5765 17.9335 17.9358 22.7080 22.7110 k = 0.5048-0.2803 0.4082 ( 700 PWs) bands (ev): -4.0961 -4.0952 3.6868 3.6872 6.5860 6.5860 6.5878 6.5880 8.3923 8.3935 9.4912 9.4969 10.2623 10.3090 10.4739 10.5066 10.5265 10.5391 17.9266 17.9278 22.7060 22.7075 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -4.0956 -4.0956 3.6861 3.6861 6.5869 6.5869 6.5884 6.5884 8.3933 8.3933 9.4950 9.4950 10.2925 10.2925 10.4981 10.4981 10.5183 10.5183 17.9247 17.9247 22.7058 22.7058 Writing output data file CoN.save init_run : 4.31s CPU 13.11s WALL ( 1 calls) electrons : 118.50s CPU 123.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.31s CPU 1.26s WALL ( 1 calls) Called by electrons: c_bands : 118.48s CPU 123.38s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.79s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.03s CPU 0.45s WALL ( 1 calls) newd : 0.18s CPU 0.38s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 483 calls) cegterg : 78.06s CPU 78.72s WALL ( 533 calls) Called by sum_band: Called by *egterg: h_psi : 36.44s CPU 40.55s WALL ( 8975 calls) s_psi : 1.86s CPU 2.87s WALL ( 8975 calls) g_psi : 0.02s CPU 0.13s WALL ( 7959 calls) cdiaghg : 30.18s CPU 28.61s WALL ( 8442 calls) cegterg:over : 6.74s CPU 5.17s WALL ( 7959 calls) cegterg:upda : 0.08s CPU 0.46s WALL ( 7959 calls) cegterg:last : 0.06s CPU 0.31s WALL ( 1536 calls) Called by h_psi: h_psi:vloc : 30.63s CPU 34.65s WALL ( 8975 calls) h_psi:vnl : 5.79s CPU 5.79s WALL ( 8975 calls) add_vuspsi : 0.68s CPU 1.81s WALL ( 8975 calls) General routines calbec : 5.10s CPU 3.88s WALL ( 8975 calls) fft : 0.22s CPU 1.12s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 29.68s CPU 33.19s WALL ( 471032 calls) interpolate : 0.11s CPU 0.12s WALL ( 4 calls) davcio : 0.01s CPU 2.11s WALL ( 966 calls) Parallel routines fft_scatter : 21.82s CPU 24.02s WALL ( 471055 calls) PWSCF : 2m33.42s CPU 3m48.12s WALL This run was terminated on: 6:42:30 26Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=