Program PWSCF v.5.1.1 starts on 28Aug2015 at 0: 5:21 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: ./CuF.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Cu.rel-pbe-dn-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 14 9 2 256 126 19 Max 15 10 3 262 134 25 Sum 703 439 139 12387 6231 1067 bravais-lattice index = 14 lattice parameter (alat) = 5.6977 a.u. unit-cell volume = 130.7941 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.697719 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 F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Cu 11.00 63.54600 Cu( 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= 490 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 2) = ( 0.0067568 -0.0039010 0.0055169), wk = 0.0020408 k( 3) = ( 0.0135135 -0.0078020 0.0110337), wk = 0.0020408 k( 4) = ( 0.0202703 -0.0117030 0.0165506), wk = 0.0020408 k( 5) = ( 0.0270270 -0.0156041 0.0220675), wk = 0.0020408 k( 6) = ( 0.0337838 -0.0195051 0.0275843), wk = 0.0020408 k( 7) = ( 0.0405405 -0.0234061 0.0331012), wk = 0.0020408 k( 8) = ( 0.0472973 -0.0273071 0.0386181), wk = 0.0020408 k( 9) = ( 0.0540540 -0.0312081 0.0441349), wk = 0.0020408 k( 10) = ( 0.0608108 -0.0351091 0.0496518), wk = 0.0020408 k( 11) = ( 0.0675676 -0.0390102 0.0551687), wk = 0.0020408 k( 12) = ( 0.0743243 -0.0429112 0.0606856), wk = 0.0020408 k( 13) = ( 0.0810811 -0.0468122 0.0662024), wk = 0.0020408 k( 14) = ( 0.0878378 -0.0507132 0.0717193), wk = 0.0020408 k( 15) = ( 0.0945946 -0.0546142 0.0772362), wk = 0.0020408 k( 16) = ( 0.1013514 -0.0585152 0.0827530), wk = 0.0020408 k( 17) = ( 0.1081081 -0.0624162 0.0882699), wk = 0.0020408 k( 18) = ( 0.1148649 -0.0663173 0.0937868), wk = 0.0020408 k( 19) = ( 0.1216216 -0.0702183 0.0993036), wk = 0.0020408 k( 20) = ( 0.1283784 -0.0741193 0.1048205), wk = 0.0020408 k( 21) = ( 0.1351351 -0.0780203 0.1103374), wk = 0.0020408 k( 22) = ( 0.1418919 -0.0819213 0.1158542), wk = 0.0020408 k( 23) = ( 0.1486486 -0.0858223 0.1213711), wk = 0.0020408 k( 24) = ( 0.1554054 -0.0897234 0.1268880), wk = 0.0020408 k( 25) = ( 0.1621622 -0.0936244 0.1324048), wk = 0.0020408 k( 26) = ( 0.1689189 -0.0975254 0.1379217), wk = 0.0020408 k( 27) = ( 0.1756757 -0.1014264 0.1434386), wk = 0.0020408 k( 28) = ( 0.1824324 -0.1053274 0.1489555), wk = 0.0020408 k( 29) = ( 0.1891892 -0.1092284 0.1544723), wk = 0.0020408 k( 30) = ( 0.1959460 -0.1131294 0.1599892), wk = 0.0020408 k( 31) = ( 0.2027027 -0.1170305 0.1655061), wk = 0.0020408 k( 32) = ( 0.2094595 -0.1209315 0.1710229), wk = 0.0020408 k( 33) = ( 0.2162162 -0.1248325 0.1765398), wk = 0.0020408 k( 34) = ( 0.2229730 -0.1287335 0.1820567), wk = 0.0020408 k( 35) = ( 0.2297297 -0.1326345 0.1875735), wk = 0.0020408 k( 36) = ( 0.2364865 -0.1365355 0.1930904), wk = 0.0020408 k( 37) = ( 0.2432432 -0.1404366 0.1986073), wk = 0.0020408 k( 38) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0020408 k( 39) = ( 0.2567568 -0.1482386 0.2096410), wk = 0.0020408 k( 40) = ( 0.2635135 -0.1521396 0.2151579), wk = 0.0020408 k( 41) = ( 0.2702703 -0.1560406 0.2206748), wk = 0.0020408 k( 42) = ( 0.2770270 -0.1599416 0.2261916), wk = 0.0020408 k( 43) = ( 0.2837838 -0.1638426 0.2317085), wk = 0.0020408 k( 44) = ( 0.2905405 -0.1677437 0.2372254), wk = 0.0020408 k( 45) = ( 0.2972973 -0.1716447 0.2427422), wk = 0.0020408 k( 46) = ( 0.3040541 -0.1755457 0.2482591), wk = 0.0020408 k( 47) = ( 0.3108108 -0.1794467 0.2537760), wk = 0.0020408 k( 48) = ( 0.3175676 -0.1833477 0.2592928), wk = 0.0020408 k( 49) = ( 0.3243243 -0.1872487 0.2648097), wk = 0.0020408 k( 50) = ( 0.3310811 -0.1911498 0.2703266), wk = 0.0020408 k( 51) = ( 0.3378378 -0.1950508 0.2758434), wk = 0.0020408 k( 52) = ( 0.3445946 -0.1989518 0.2813603), wk = 0.0020408 k( 53) = ( 0.3513514 -0.2028528 0.2868772), wk = 0.0020408 k( 54) = ( 0.3581081 -0.2067538 0.2923940), wk = 0.0020408 k( 55) = ( 0.3648649 -0.2106548 0.2979109), wk = 0.0020408 k( 56) = ( 0.3716216 -0.2145558 0.3034278), wk = 0.0020408 k( 57) = ( 0.3783784 -0.2184569 0.3089447), wk = 0.0020408 k( 58) = ( 0.3851351 -0.2223579 0.3144615), wk = 0.0020408 k( 59) = ( 0.3918919 -0.2262589 0.3199784), wk = 0.0020408 k( 60) = ( 0.3986486 -0.2301599 0.3254953), wk = 0.0020408 k( 61) = ( 0.4054054 -0.2340609 0.3310121), wk = 0.0020408 k( 62) = ( 0.4121622 -0.2379619 0.3365290), wk = 0.0020408 k( 63) = ( 0.4189189 -0.2418630 0.3420459), wk = 0.0020408 k( 64) = ( 0.4256757 -0.2457640 0.3475627), wk = 0.0020408 k( 65) = ( 0.4324324 -0.2496650 0.3530796), wk = 0.0020408 k( 66) = ( 0.4391892 -0.2535660 0.3585965), wk = 0.0020408 k( 67) = ( 0.4459459 -0.2574670 0.3641133), wk = 0.0020408 k( 68) = ( 0.4527027 -0.2613680 0.3696302), wk = 0.0020408 k( 69) = ( 0.4594595 -0.2652690 0.3751471), wk = 0.0020408 k( 70) = ( 0.4662162 -0.2691701 0.3806639), wk = 0.0020408 k( 71) = ( 0.4729730 -0.2730711 0.3861808), wk = 0.0020408 k( 72) = ( 0.4797297 -0.2769721 0.3916977), wk = 0.0020408 k( 73) = ( 0.4864865 -0.2808731 0.3972146), wk = 0.0020408 k( 74) = ( 0.4932432 -0.2847741 0.4027314), wk = 0.0020408 k( 75) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020408 k( 76) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020408 k( 77) = ( 0.5000000 -0.2808731 0.4137652), wk = 0.0020408 k( 78) = ( 0.5000000 -0.2730711 0.4192820), wk = 0.0020408 k( 79) = ( 0.5000000 -0.2652690 0.4247989), wk = 0.0020408 k( 80) = ( 0.5000000 -0.2574670 0.4303158), wk = 0.0020408 k( 81) = ( 0.5000000 -0.2496650 0.4358326), wk = 0.0020408 k( 82) = ( 0.5000000 -0.2418630 0.4413495), wk = 0.0020408 k( 83) = ( 0.5000000 -0.2340609 0.4468664), wk = 0.0020408 k( 84) = ( 0.5000000 -0.2262589 0.4523832), wk = 0.0020408 k( 85) = ( 0.5000000 -0.2184569 0.4579001), wk = 0.0020408 k( 86) = ( 0.5000000 -0.2106548 0.4634170), wk = 0.0020408 k( 87) = ( 0.5000000 -0.2028528 0.4689338), wk = 0.0020408 k( 88) = ( 0.5000000 -0.1950508 0.4744507), wk = 0.0020408 k( 89) = ( 0.5000000 -0.1872487 0.4799676), wk = 0.0020408 k( 90) = ( 0.5000000 -0.1794467 0.4854844), wk = 0.0020408 k( 91) = ( 0.5000000 -0.1716447 0.4910013), wk = 0.0020408 k( 92) = ( 0.5000000 -0.1638426 0.4965182), wk = 0.0020408 k( 93) = ( 0.5000000 -0.1560406 0.5020351), wk = 0.0020408 k( 94) = ( 0.5000000 -0.1482386 0.5075519), wk = 0.0020408 k( 95) = ( 0.5000000 -0.1404366 0.5130688), wk = 0.0020408 k( 96) = ( 0.5000000 -0.1326345 0.5185857), wk = 0.0020408 k( 97) = ( 0.5000000 -0.1248325 0.5241025), wk = 0.0020408 k( 98) = ( 0.5000000 -0.1170305 0.5296194), wk = 0.0020408 k( 99) = ( 0.5000000 -0.1092284 0.5351363), wk = 0.0020408 k( 100) = ( 0.5000000 -0.1014264 0.5406531), wk = 0.0020408 k( 101) = ( 0.5000000 -0.0936244 0.5461700), wk = 0.0020408 k( 102) = ( 0.5000000 -0.0858223 0.5516869), wk = 0.0020408 k( 103) = ( 0.5000000 -0.0780203 0.5572037), wk = 0.0020408 k( 104) = ( 0.5000000 -0.0702183 0.5627206), wk = 0.0020408 k( 105) = ( 0.5000000 -0.0624162 0.5682375), wk = 0.0020408 k( 106) = ( 0.5000000 -0.0546142 0.5737544), wk = 0.0020408 k( 107) = ( 0.5000000 -0.0468122 0.5792712), wk = 0.0020408 k( 108) = ( 0.5000000 -0.0390101 0.5847881), wk = 0.0020408 k( 109) = ( 0.5000000 -0.0312081 0.5903050), wk = 0.0020408 k( 110) = ( 0.5000000 -0.0234061 0.5958218), wk = 0.0020408 k( 111) = ( 0.5000000 -0.0156041 0.6013387), wk = 0.0020408 k( 112) = ( 0.5000000 -0.0078020 0.6068556), wk = 0.0020408 k( 113) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020408 k( 114) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020408 k( 115) = ( 0.4953704 0.0080188 0.6123724), wk = 0.0020408 k( 116) = ( 0.4907407 0.0160375 0.6123724), wk = 0.0020408 k( 117) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0020408 k( 118) = ( 0.4814815 0.0320750 0.6123724), wk = 0.0020408 k( 119) = ( 0.4768519 0.0400938 0.6123724), wk = 0.0020408 k( 120) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0020408 k( 121) = ( 0.4675926 0.0561313 0.6123724), wk = 0.0020408 k( 122) = ( 0.4629630 0.0641500 0.6123724), wk = 0.0020408 k( 123) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0020408 k( 124) = ( 0.4537037 0.0801875 0.6123724), wk = 0.0020408 k( 125) = ( 0.4490741 0.0882063 0.6123724), wk = 0.0020408 k( 126) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0020408 k( 127) = ( 0.4398148 0.1042438 0.6123724), wk = 0.0020408 k( 128) = ( 0.4351852 0.1122625 0.6123724), wk = 0.0020408 k( 129) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0020408 k( 130) = ( 0.4259259 0.1283001 0.6123724), wk = 0.0020408 k( 131) = ( 0.4212963 0.1363188 0.6123724), wk = 0.0020408 k( 132) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0020408 k( 133) = ( 0.4120370 0.1523563 0.6123724), wk = 0.0020408 k( 134) = ( 0.4074074 0.1603751 0.6123724), wk = 0.0020408 k( 135) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0020408 k( 136) = ( 0.3981481 0.1764126 0.6123724), wk = 0.0020408 k( 137) = ( 0.3935185 0.1844313 0.6123724), wk = 0.0020408 k( 138) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0020408 k( 139) = ( 0.3842593 0.2004688 0.6123724), wk = 0.0020408 k( 140) = ( 0.3796296 0.2084876 0.6123724), wk = 0.0020408 k( 141) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020408 k( 142) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020408 k( 143) = ( 0.3702532 0.2137658 0.6046209), wk = 0.0020408 k( 144) = ( 0.3655063 0.2110252 0.5968693), wk = 0.0020408 k( 145) = ( 0.3607595 0.2082846 0.5891178), wk = 0.0020408 k( 146) = ( 0.3560127 0.2055440 0.5813662), wk = 0.0020408 k( 147) = ( 0.3512658 0.2028034 0.5736147), wk = 0.0020408 k( 148) = ( 0.3465190 0.2000628 0.5658631), wk = 0.0020408 k( 149) = ( 0.3417721 0.1973222 0.5581116), wk = 0.0020408 k( 150) = ( 0.3370253 0.1945817 0.5503600), wk = 0.0020408 k( 151) = ( 0.3322785 0.1918411 0.5426085), wk = 0.0020408 k( 152) = ( 0.3275317 0.1891005 0.5348569), wk = 0.0020408 k( 153) = ( 0.3227848 0.1863599 0.5271054), wk = 0.0020408 k( 154) = ( 0.3180380 0.1836193 0.5193538), wk = 0.0020408 k( 155) = ( 0.3132911 0.1808787 0.5116023), wk = 0.0020408 k( 156) = ( 0.3085443 0.1781381 0.5038507), wk = 0.0020408 k( 157) = ( 0.3037975 0.1753976 0.4960992), wk = 0.0020408 k( 158) = ( 0.2990506 0.1726570 0.4883476), wk = 0.0020408 k( 159) = ( 0.2943038 0.1699164 0.4805961), wk = 0.0020408 k( 160) = ( 0.2895570 0.1671758 0.4728445), wk = 0.0020408 k( 161) = ( 0.2848101 0.1644352 0.4650930), wk = 0.0020408 k( 162) = ( 0.2800633 0.1616946 0.4573414), wk = 0.0020408 k( 163) = ( 0.2753165 0.1589540 0.4495899), wk = 0.0020408 k( 164) = ( 0.2705696 0.1562134 0.4418383), wk = 0.0020408 k( 165) = ( 0.2658228 0.1534729 0.4340868), wk = 0.0020408 k( 166) = ( 0.2610760 0.1507323 0.4263352), wk = 0.0020408 k( 167) = ( 0.2563291 0.1479917 0.4185837), wk = 0.0020408 k( 168) = ( 0.2515823 0.1452511 0.4108321), wk = 0.0020408 k( 169) = ( 0.2468354 0.1425105 0.4030806), wk = 0.0020408 k( 170) = ( 0.2420886 0.1397699 0.3953290), wk = 0.0020408 k( 171) = ( 0.2373418 0.1370293 0.3875775), wk = 0.0020408 k( 172) = ( 0.2325949 0.1342888 0.3798259), wk = 0.0020408 k( 173) = ( 0.2278481 0.1315482 0.3720744), wk = 0.0020408 k( 174) = ( 0.2231013 0.1288076 0.3643228), wk = 0.0020408 k( 175) = ( 0.2183544 0.1260670 0.3565713), wk = 0.0020408 k( 176) = ( 0.2136076 0.1233264 0.3488197), wk = 0.0020408 k( 177) = ( 0.2088608 0.1205858 0.3410682), wk = 0.0020408 k( 178) = ( 0.2041139 0.1178452 0.3333166), wk = 0.0020408 k( 179) = ( 0.1993671 0.1151046 0.3255651), wk = 0.0020408 k( 180) = ( 0.1946202 0.1123641 0.3178135), wk = 0.0020408 k( 181) = ( 0.1898734 0.1096235 0.3100620), wk = 0.0020408 k( 182) = ( 0.1851266 0.1068829 0.3023104), wk = 0.0020408 k( 183) = ( 0.1803798 0.1041423 0.2945589), wk = 0.0020408 k( 184) = ( 0.1756329 0.1014017 0.2868073), wk = 0.0020408 k( 185) = ( 0.1708861 0.0986611 0.2790558), wk = 0.0020408 k( 186) = ( 0.1661392 0.0959205 0.2713042), wk = 0.0020408 k( 187) = ( 0.1613924 0.0931800 0.2635527), wk = 0.0020408 k( 188) = ( 0.1566456 0.0904394 0.2558011), wk = 0.0020408 k( 189) = ( 0.1518987 0.0876988 0.2480496), wk = 0.0020408 k( 190) = ( 0.1471519 0.0849582 0.2402980), wk = 0.0020408 k( 191) = ( 0.1424051 0.0822176 0.2325465), wk = 0.0020408 k( 192) = ( 0.1376582 0.0794770 0.2247949), wk = 0.0020408 k( 193) = ( 0.1329114 0.0767364 0.2170434), wk = 0.0020408 k( 194) = ( 0.1281646 0.0739958 0.2092918), wk = 0.0020408 k( 195) = ( 0.1234177 0.0712553 0.2015403), wk = 0.0020408 k( 196) = ( 0.1186709 0.0685147 0.1937887), wk = 0.0020408 k( 197) = ( 0.1139240 0.0657741 0.1860372), wk = 0.0020408 k( 198) = ( 0.1091772 0.0630335 0.1782856), wk = 0.0020408 k( 199) = ( 0.1044304 0.0602929 0.1705341), wk = 0.0020408 k( 200) = ( 0.0996835 0.0575523 0.1627826), wk = 0.0020408 k( 201) = ( 0.0949367 0.0548117 0.1550310), wk = 0.0020408 k( 202) = ( 0.0901899 0.0520711 0.1472795), wk = 0.0020408 k( 203) = ( 0.0854430 0.0493306 0.1395279), wk = 0.0020408 k( 204) = ( 0.0806962 0.0465900 0.1317764), wk = 0.0020408 k( 205) = ( 0.0759494 0.0438494 0.1240248), wk = 0.0020408 k( 206) = ( 0.0712025 0.0411088 0.1162732), wk = 0.0020408 k( 207) = ( 0.0664557 0.0383682 0.1085217), wk = 0.0020408 k( 208) = ( 0.0617089 0.0356276 0.1007701), wk = 0.0020408 k( 209) = ( 0.0569620 0.0328870 0.0930186), wk = 0.0020408 k( 210) = ( 0.0522152 0.0301465 0.0852670), wk = 0.0020408 k( 211) = ( 0.0474683 0.0274059 0.0775155), wk = 0.0020408 k( 212) = ( 0.0427215 0.0246653 0.0697640), wk = 0.0020408 k( 213) = ( 0.0379747 0.0219247 0.0620124), wk = 0.0020408 k( 214) = ( 0.0332279 0.0191841 0.0542609), wk = 0.0020408 k( 215) = ( 0.0284810 0.0164435 0.0465093), wk = 0.0020408 k( 216) = ( 0.0237342 0.0137029 0.0387577), wk = 0.0020408 k( 217) = ( 0.0189873 0.0109623 0.0310062), wk = 0.0020408 k( 218) = ( 0.0142405 0.0082218 0.0232546), wk = 0.0020408 k( 219) = ( 0.0094937 0.0054812 0.0155031), wk = 0.0020408 k( 220) = ( 0.0047468 0.0027406 0.0077515), wk = 0.0020408 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 223) = ( 0.0078125 0.0045105 0.0031894), wk = 0.0020408 k( 224) = ( 0.0156250 0.0090211 0.0063789), wk = 0.0020408 k( 225) = ( 0.0234375 0.0135316 0.0095683), wk = 0.0020408 k( 226) = ( 0.0312500 0.0180422 0.0127578), wk = 0.0020408 k( 227) = ( 0.0390625 0.0225527 0.0159472), wk = 0.0020408 k( 228) = ( 0.0468750 0.0270633 0.0191366), wk = 0.0020408 k( 229) = ( 0.0546875 0.0315738 0.0223261), wk = 0.0020408 k( 230) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0020408 k( 231) = ( 0.0703125 0.0405949 0.0287050), wk = 0.0020408 k( 232) = ( 0.0781250 0.0451055 0.0318944), wk = 0.0020408 k( 233) = ( 0.0859375 0.0496160 0.0350838), wk = 0.0020408 k( 234) = ( 0.0937500 0.0541266 0.0382733), wk = 0.0020408 k( 235) = ( 0.1015625 0.0586371 0.0414627), wk = 0.0020408 k( 236) = ( 0.1093750 0.0631477 0.0446522), wk = 0.0020408 k( 237) = ( 0.1171875 0.0676582 0.0478416), wk = 0.0020408 k( 238) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0020408 k( 239) = ( 0.1328125 0.0766793 0.0542205), wk = 0.0020408 k( 240) = ( 0.1406250 0.0811899 0.0574099), wk = 0.0020408 k( 241) = ( 0.1484375 0.0857004 0.0605994), wk = 0.0020408 k( 242) = ( 0.1562500 0.0902110 0.0637888), wk = 0.0020408 k( 243) = ( 0.1640625 0.0947215 0.0669782), wk = 0.0020408 k( 244) = ( 0.1718750 0.0992321 0.0701677), wk = 0.0020408 k( 245) = ( 0.1796875 0.1037426 0.0733571), wk = 0.0020408 k( 246) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0020408 k( 247) = ( 0.1953125 0.1127637 0.0797360), wk = 0.0020408 k( 248) = ( 0.2031250 0.1172743 0.0829254), wk = 0.0020408 k( 249) = ( 0.2109375 0.1217848 0.0861149), wk = 0.0020408 k( 250) = ( 0.2187500 0.1262954 0.0893043), wk = 0.0020408 k( 251) = ( 0.2265625 0.1308059 0.0924938), wk = 0.0020408 k( 252) = ( 0.2343750 0.1353165 0.0956832), wk = 0.0020408 k( 253) = ( 0.2421875 0.1398270 0.0988726), wk = 0.0020408 k( 254) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0020408 k( 255) = ( 0.2578125 0.1488481 0.1052515), wk = 0.0020408 k( 256) = ( 0.2656250 0.1533587 0.1084410), wk = 0.0020408 k( 257) = ( 0.2734375 0.1578692 0.1116304), wk = 0.0020408 k( 258) = ( 0.2812500 0.1623798 0.1148198), wk = 0.0020408 k( 259) = ( 0.2890625 0.1668903 0.1180093), wk = 0.0020408 k( 260) = ( 0.2968750 0.1714009 0.1211987), wk = 0.0020408 k( 261) = ( 0.3046875 0.1759114 0.1243882), wk = 0.0020408 k( 262) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0020408 k( 263) = ( 0.3203125 0.1849325 0.1307670), wk = 0.0020408 k( 264) = ( 0.3281250 0.1894431 0.1339565), wk = 0.0020408 k( 265) = ( 0.3359375 0.1939536 0.1371459), wk = 0.0020408 k( 266) = ( 0.3437500 0.1984642 0.1403353), wk = 0.0020408 k( 267) = ( 0.3515625 0.2029747 0.1435248), wk = 0.0020408 k( 268) = ( 0.3593750 0.2074853 0.1467142), wk = 0.0020408 k( 269) = ( 0.3671875 0.2119958 0.1499037), wk = 0.0020408 k( 270) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0020408 k( 271) = ( 0.3828125 0.2210169 0.1562825), wk = 0.0020408 k( 272) = ( 0.3906250 0.2255274 0.1594720), wk = 0.0020408 k( 273) = ( 0.3984375 0.2300380 0.1626614), wk = 0.0020408 k( 274) = ( 0.4062500 0.2345485 0.1658509), wk = 0.0020408 k( 275) = ( 0.4140625 0.2390591 0.1690403), wk = 0.0020408 k( 276) = ( 0.4218750 0.2435696 0.1722297), wk = 0.0020408 k( 277) = ( 0.4296875 0.2480802 0.1754192), wk = 0.0020408 k( 278) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0020408 k( 279) = ( 0.4453125 0.2571013 0.1817981), wk = 0.0020408 k( 280) = ( 0.4531250 0.2616118 0.1849875), wk = 0.0020408 k( 281) = ( 0.4609375 0.2661224 0.1881769), wk = 0.0020408 k( 282) = ( 0.4687500 0.2706329 0.1913664), wk = 0.0020408 k( 283) = ( 0.4765625 0.2751435 0.1945558), wk = 0.0020408 k( 284) = ( 0.4843750 0.2796540 0.1977453), wk = 0.0020408 k( 285) = ( 0.4921875 0.2841646 0.2009347), wk = 0.0020408 k( 286) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020408 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020408 k( 288) = ( 0.5027174 0.2808307 0.2085616), wk = 0.0020408 k( 289) = ( 0.5054348 0.2729863 0.2129991), wk = 0.0020408 k( 290) = ( 0.5081522 0.2651418 0.2174366), wk = 0.0020408 k( 291) = ( 0.5108696 0.2572974 0.2218741), wk = 0.0020408 k( 292) = ( 0.5135870 0.2494530 0.2263116), wk = 0.0020408 k( 293) = ( 0.5163043 0.2416085 0.2307490), wk = 0.0020408 k( 294) = ( 0.5190217 0.2337641 0.2351865), wk = 0.0020408 k( 295) = ( 0.5217391 0.2259197 0.2396240), wk = 0.0020408 k( 296) = ( 0.5244565 0.2180752 0.2440615), wk = 0.0020408 k( 297) = ( 0.5271739 0.2102308 0.2484990), wk = 0.0020408 k( 298) = ( 0.5298913 0.2023864 0.2529364), wk = 0.0020408 k( 299) = ( 0.5326087 0.1945419 0.2573739), wk = 0.0020408 k( 300) = ( 0.5353261 0.1866975 0.2618114), wk = 0.0020408 k( 301) = ( 0.5380435 0.1788531 0.2662489), wk = 0.0020408 k( 302) = ( 0.5407609 0.1710086 0.2706864), wk = 0.0020408 k( 303) = ( 0.5434783 0.1631642 0.2751238), wk = 0.0020408 k( 304) = ( 0.5461957 0.1553198 0.2795613), wk = 0.0020408 k( 305) = ( 0.5489130 0.1474753 0.2839988), wk = 0.0020408 k( 306) = ( 0.5516304 0.1396309 0.2884363), wk = 0.0020408 k( 307) = ( 0.5543478 0.1317865 0.2928738), wk = 0.0020408 k( 308) = ( 0.5570652 0.1239420 0.2973113), wk = 0.0020408 k( 309) = ( 0.5597826 0.1160976 0.3017487), wk = 0.0020408 k( 310) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0020408 k( 311) = ( 0.5652174 0.1004087 0.3106237), wk = 0.0020408 k( 312) = ( 0.5679348 0.0925643 0.3150612), wk = 0.0020408 k( 313) = ( 0.5706522 0.0847199 0.3194987), wk = 0.0020408 k( 314) = ( 0.5733696 0.0768754 0.3239361), wk = 0.0020408 k( 315) = ( 0.5760870 0.0690310 0.3283736), wk = 0.0020408 k( 316) = ( 0.5788043 0.0611866 0.3328111), wk = 0.0020408 k( 317) = ( 0.5815217 0.0533421 0.3372486), wk = 0.0020408 k( 318) = ( 0.5842391 0.0454977 0.3416861), wk = 0.0020408 k( 319) = ( 0.5869565 0.0376533 0.3461235), wk = 0.0020408 k( 320) = ( 0.5896739 0.0298088 0.3505610), wk = 0.0020408 k( 321) = ( 0.5923913 0.0219644 0.3549985), wk = 0.0020408 k( 322) = ( 0.5951087 0.0141200 0.3594360), wk = 0.0020408 k( 323) = ( 0.5978261 0.0062755 0.3638735), wk = 0.0020408 k( 324) = ( 0.6005435 -0.0015689 0.3683110), wk = 0.0020408 k( 325) = ( 0.6032609 -0.0094133 0.3727484), wk = 0.0020408 k( 326) = ( 0.6059783 -0.0172578 0.3771859), wk = 0.0020408 k( 327) = ( 0.6086957 -0.0251022 0.3816234), wk = 0.0020408 k( 328) = ( 0.6114130 -0.0329466 0.3860609), wk = 0.0020408 k( 329) = ( 0.6141304 -0.0407910 0.3904984), wk = 0.0020408 k( 330) = ( 0.6168478 -0.0486355 0.3949358), wk = 0.0020408 k( 331) = ( 0.6195652 -0.0564799 0.3993733), wk = 0.0020408 k( 332) = ( 0.6222826 -0.0643244 0.4038108), wk = 0.0020408 k( 333) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020408 k( 334) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020408 k( 335) = ( 0.6203704 -0.0694959 0.4158084), wk = 0.0020408 k( 336) = ( 0.6157407 -0.0668229 0.4233686), wk = 0.0020408 k( 337) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0020408 k( 338) = ( 0.6064815 -0.0614771 0.4384889), wk = 0.0020408 k( 339) = ( 0.6018518 -0.0588042 0.4460491), wk = 0.0020408 k( 340) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0020408 k( 341) = ( 0.5925926 -0.0534584 0.4611694), wk = 0.0020408 k( 342) = ( 0.5879630 -0.0507854 0.4687295), wk = 0.0020408 k( 343) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0020408 k( 344) = ( 0.5787037 -0.0454396 0.4838498), wk = 0.0020408 k( 345) = ( 0.5740741 -0.0427667 0.4914100), wk = 0.0020408 k( 346) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0020408 k( 347) = ( 0.5648148 -0.0374208 0.5065303), wk = 0.0020408 k( 348) = ( 0.5601852 -0.0347479 0.5140904), wk = 0.0020408 k( 349) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0020408 k( 350) = ( 0.5509259 -0.0294021 0.5292107), wk = 0.0020408 k( 351) = ( 0.5462963 -0.0267292 0.5367709), wk = 0.0020408 k( 352) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0020408 k( 353) = ( 0.5370370 -0.0213833 0.5518912), wk = 0.0020408 k( 354) = ( 0.5324074 -0.0187104 0.5594514), wk = 0.0020408 k( 355) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0020408 k( 356) = ( 0.5231482 -0.0133646 0.5745717), wk = 0.0020408 k( 357) = ( 0.5185185 -0.0106917 0.5821318), wk = 0.0020408 k( 358) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0020408 k( 359) = ( 0.5092593 -0.0053458 0.5972521), wk = 0.0020408 k( 360) = ( 0.5046296 -0.0026729 0.6048123), wk = 0.0020408 k( 361) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020408 k( 362) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020408 k( 363) = ( 0.5000000 0.0054467 0.6046696), wk = 0.0020408 k( 364) = ( 0.5000000 0.0108934 0.5969668), wk = 0.0020408 k( 365) = ( 0.5000000 0.0163401 0.5892640), wk = 0.0020408 k( 366) = ( 0.5000000 0.0217868 0.5815613), wk = 0.0020408 k( 367) = ( 0.5000000 0.0272335 0.5738584), wk = 0.0020408 k( 368) = ( 0.5000000 0.0326802 0.5661556), wk = 0.0020408 k( 369) = ( 0.5000000 0.0381269 0.5584528), wk = 0.0020408 k( 370) = ( 0.5000000 0.0435736 0.5507501), wk = 0.0020408 k( 371) = ( 0.5000000 0.0490203 0.5430473), wk = 0.0020408 k( 372) = ( 0.5000000 0.0544670 0.5353445), wk = 0.0020408 k( 373) = ( 0.5000000 0.0599137 0.5276417), wk = 0.0020408 k( 374) = ( 0.5000000 0.0653604 0.5199389), wk = 0.0020408 k( 375) = ( 0.5000000 0.0708071 0.5122361), wk = 0.0020408 k( 376) = ( 0.5000000 0.0762538 0.5045333), wk = 0.0020408 k( 377) = ( 0.5000000 0.0817005 0.4968305), wk = 0.0020408 k( 378) = ( 0.5000000 0.0871472 0.4891277), wk = 0.0020408 k( 379) = ( 0.5000000 0.0925939 0.4814249), wk = 0.0020408 k( 380) = ( 0.5000000 0.0980406 0.4737221), wk = 0.0020408 k( 381) = ( 0.5000000 0.1034873 0.4660193), wk = 0.0020408 k( 382) = ( 0.5000000 0.1089340 0.4583165), wk = 0.0020408 k( 383) = ( 0.5000000 0.1143807 0.4506137), wk = 0.0020408 k( 384) = ( 0.5000000 0.1198274 0.4429109), wk = 0.0020408 k( 385) = ( 0.5000000 0.1252741 0.4352081), wk = 0.0020408 k( 386) = ( 0.5000000 0.1307208 0.4275053), wk = 0.0020408 k( 387) = ( 0.5000000 0.1361675 0.4198025), wk = 0.0020408 k( 388) = ( 0.5000000 0.1416142 0.4120997), wk = 0.0020408 k( 389) = ( 0.5000000 0.1470609 0.4043969), wk = 0.0020408 k( 390) = ( 0.5000000 0.1525076 0.3966941), wk = 0.0020408 k( 391) = ( 0.5000000 0.1579543 0.3889913), wk = 0.0020408 k( 392) = ( 0.5000000 0.1634010 0.3812885), wk = 0.0020408 k( 393) = ( 0.5000000 0.1688477 0.3735857), wk = 0.0020408 k( 394) = ( 0.5000000 0.1742944 0.3658829), wk = 0.0020408 k( 395) = ( 0.5000000 0.1797411 0.3581801), wk = 0.0020408 k( 396) = ( 0.5000000 0.1851878 0.3504773), wk = 0.0020408 k( 397) = ( 0.5000000 0.1906345 0.3427745), wk = 0.0020408 k( 398) = ( 0.5000000 0.1960812 0.3350717), wk = 0.0020408 k( 399) = ( 0.5000000 0.2015279 0.3273689), wk = 0.0020408 k( 400) = ( 0.5000000 0.2069746 0.3196661), wk = 0.0020408 k( 401) = ( 0.5000000 0.2124213 0.3119633), wk = 0.0020408 k( 402) = ( 0.5000000 0.2178680 0.3042605), wk = 0.0020408 k( 403) = ( 0.5000000 0.2233147 0.2965577), wk = 0.0020408 k( 404) = ( 0.5000000 0.2287614 0.2888549), wk = 0.0020408 k( 405) = ( 0.5000000 0.2342081 0.2811521), wk = 0.0020408 k( 406) = ( 0.5000000 0.2396548 0.2734493), wk = 0.0020408 k( 407) = ( 0.5000000 0.2451015 0.2657465), wk = 0.0020408 k( 408) = ( 0.5000000 0.2505482 0.2580437), wk = 0.0020408 k( 409) = ( 0.5000000 0.2559949 0.2503409), wk = 0.0020408 k( 410) = ( 0.5000000 0.2614416 0.2426381), wk = 0.0020408 k( 411) = ( 0.5000000 0.2668883 0.2349353), wk = 0.0020408 k( 412) = ( 0.5000000 0.2723350 0.2272325), wk = 0.0020408 k( 413) = ( 0.5000000 0.2777817 0.2195297), wk = 0.0020408 k( 414) = ( 0.5000000 0.2832284 0.2118269), wk = 0.0020408 k( 415) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020408 k( 416) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020408 k( 417) = ( 0.4972826 0.2871062 0.2129991), wk = 0.0020408 k( 418) = ( 0.4945652 0.2855374 0.2218741), wk = 0.0020408 k( 419) = ( 0.4918478 0.2839685 0.2307490), wk = 0.0020408 k( 420) = ( 0.4891304 0.2823996 0.2396240), wk = 0.0020408 k( 421) = ( 0.4864130 0.2808307 0.2484990), wk = 0.0020408 k( 422) = ( 0.4836956 0.2792618 0.2573739), wk = 0.0020408 k( 423) = ( 0.4809783 0.2776929 0.2662489), wk = 0.0020408 k( 424) = ( 0.4782609 0.2761240 0.2751238), wk = 0.0020408 k( 425) = ( 0.4755435 0.2745552 0.2839988), wk = 0.0020408 k( 426) = ( 0.4728261 0.2729863 0.2928738), wk = 0.0020408 k( 427) = ( 0.4701087 0.2714174 0.3017487), wk = 0.0020408 k( 428) = ( 0.4673913 0.2698485 0.3106237), wk = 0.0020408 k( 429) = ( 0.4646739 0.2682796 0.3194987), wk = 0.0020408 k( 430) = ( 0.4619565 0.2667107 0.3283736), wk = 0.0020408 k( 431) = ( 0.4592391 0.2651418 0.3372486), wk = 0.0020408 k( 432) = ( 0.4565217 0.2635729 0.3461235), wk = 0.0020408 k( 433) = ( 0.4538044 0.2620041 0.3549985), wk = 0.0020408 k( 434) = ( 0.4510870 0.2604352 0.3638735), wk = 0.0020408 k( 435) = ( 0.4483696 0.2588663 0.3727484), wk = 0.0020408 k( 436) = ( 0.4456522 0.2572974 0.3816234), wk = 0.0020408 k( 437) = ( 0.4429348 0.2557285 0.3904984), wk = 0.0020408 k( 438) = ( 0.4402174 0.2541596 0.3993733), wk = 0.0020408 k( 439) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0020408 k( 440) = ( 0.4347826 0.2510219 0.4171232), wk = 0.0020408 k( 441) = ( 0.4320652 0.2494530 0.4259982), wk = 0.0020408 k( 442) = ( 0.4293478 0.2478841 0.4348732), wk = 0.0020408 k( 443) = ( 0.4266304 0.2463152 0.4437481), wk = 0.0020408 k( 444) = ( 0.4239130 0.2447463 0.4526231), wk = 0.0020408 k( 445) = ( 0.4211956 0.2431774 0.4614981), wk = 0.0020408 k( 446) = ( 0.4184783 0.2416085 0.4703730), wk = 0.0020408 k( 447) = ( 0.4157609 0.2400397 0.4792480), wk = 0.0020408 k( 448) = ( 0.4130435 0.2384708 0.4881230), wk = 0.0020408 k( 449) = ( 0.4103261 0.2369019 0.4969979), wk = 0.0020408 k( 450) = ( 0.4076087 0.2353330 0.5058729), wk = 0.0020408 k( 451) = ( 0.4048913 0.2337641 0.5147478), wk = 0.0020408 k( 452) = ( 0.4021739 0.2321952 0.5236228), wk = 0.0020408 k( 453) = ( 0.3994565 0.2306263 0.5324978), wk = 0.0020408 k( 454) = ( 0.3967391 0.2290574 0.5413727), wk = 0.0020408 k( 455) = ( 0.3940217 0.2274886 0.5502477), wk = 0.0020408 k( 456) = ( 0.3913044 0.2259197 0.5591227), wk = 0.0020408 k( 457) = ( 0.3885870 0.2243508 0.5679976), wk = 0.0020408 k( 458) = ( 0.3858696 0.2227819 0.5768726), wk = 0.0020408 k( 459) = ( 0.3831522 0.2212130 0.5857475), wk = 0.0020408 k( 460) = ( 0.3804348 0.2196441 0.5946225), wk = 0.0020408 k( 461) = ( 0.3777174 0.2180752 0.6034975), wk = 0.0020408 k( 462) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020408 k( 463) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020408 k( 464) = ( 0.6203704 -0.0801875 0.4082483), wk = 0.0020408 k( 465) = ( 0.6157407 -0.0882063 0.4082483), wk = 0.0020408 k( 466) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0020408 k( 467) = ( 0.6064815 -0.1042438 0.4082483), wk = 0.0020408 k( 468) = ( 0.6018518 -0.1122626 0.4082483), wk = 0.0020408 k( 469) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0020408 k( 470) = ( 0.5925926 -0.1283001 0.4082483), wk = 0.0020408 k( 471) = ( 0.5879630 -0.1363188 0.4082483), wk = 0.0020408 k( 472) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0020408 k( 473) = ( 0.5787037 -0.1523563 0.4082483), wk = 0.0020408 k( 474) = ( 0.5740741 -0.1603751 0.4082483), wk = 0.0020408 k( 475) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0020408 k( 476) = ( 0.5648148 -0.1764126 0.4082483), wk = 0.0020408 k( 477) = ( 0.5601852 -0.1844313 0.4082483), wk = 0.0020408 k( 478) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0020408 k( 479) = ( 0.5509259 -0.2004688 0.4082483), wk = 0.0020408 k( 480) = ( 0.5462963 -0.2084876 0.4082483), wk = 0.0020408 k( 481) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0020408 k( 482) = ( 0.5370370 -0.2245251 0.4082483), wk = 0.0020408 k( 483) = ( 0.5324074 -0.2325439 0.4082483), wk = 0.0020408 k( 484) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0020408 k( 485) = ( 0.5231482 -0.2485814 0.4082483), wk = 0.0020408 k( 486) = ( 0.5185185 -0.2566001 0.4082483), wk = 0.0020408 k( 487) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0020408 k( 488) = ( 0.5092593 -0.2726376 0.4082483), wk = 0.0020408 k( 489) = ( 0.5046296 -0.2806564 0.4082483), wk = 0.0020408 k( 490) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020408 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 2) = ( 0.0067568 0.0000000 0.0067568), wk = 0.0020408 k( 3) = ( 0.0135135 0.0000000 0.0135135), wk = 0.0020408 k( 4) = ( 0.0202703 -0.0000000 0.0202703), wk = 0.0020408 k( 5) = ( 0.0270270 0.0000000 0.0270270), wk = 0.0020408 k( 6) = ( 0.0337838 0.0000000 0.0337838), wk = 0.0020408 k( 7) = ( 0.0405405 -0.0000000 0.0405405), wk = 0.0020408 k( 8) = ( 0.0472973 0.0000000 0.0472973), wk = 0.0020408 k( 9) = ( 0.0540540 0.0000000 0.0540541), wk = 0.0020408 k( 10) = ( 0.0608108 0.0000000 0.0608108), wk = 0.0020408 k( 11) = ( 0.0675676 0.0000000 0.0675676), wk = 0.0020408 k( 12) = ( 0.0743243 0.0000000 0.0743243), wk = 0.0020408 k( 13) = ( 0.0810811 -0.0000000 0.0810811), wk = 0.0020408 k( 14) = ( 0.0878378 0.0000000 0.0878378), wk = 0.0020408 k( 15) = ( 0.0945946 0.0000000 0.0945946), wk = 0.0020408 k( 16) = ( 0.1013514 0.0000000 0.1013514), wk = 0.0020408 k( 17) = ( 0.1081081 0.0000000 0.1081081), wk = 0.0020408 k( 18) = ( 0.1148649 0.0000000 0.1148649), wk = 0.0020408 k( 19) = ( 0.1216216 0.0000000 0.1216216), wk = 0.0020408 k( 20) = ( 0.1283784 0.0000000 0.1283784), wk = 0.0020408 k( 21) = ( 0.1351351 0.0000000 0.1351351), wk = 0.0020408 k( 22) = ( 0.1418919 0.0000000 0.1418919), wk = 0.0020408 k( 23) = ( 0.1486486 0.0000000 0.1486486), wk = 0.0020408 k( 24) = ( 0.1554054 -0.0000000 0.1554054), wk = 0.0020408 k( 25) = ( 0.1621622 -0.0000000 0.1621622), wk = 0.0020408 k( 26) = ( 0.1689189 -0.0000000 0.1689189), wk = 0.0020408 k( 27) = ( 0.1756757 0.0000000 0.1756757), wk = 0.0020408 k( 28) = ( 0.1824324 0.0000000 0.1824324), wk = 0.0020408 k( 29) = ( 0.1891892 0.0000000 0.1891892), wk = 0.0020408 k( 30) = ( 0.1959460 0.0000000 0.1959460), wk = 0.0020408 k( 31) = ( 0.2027027 0.0000000 0.2027027), wk = 0.0020408 k( 32) = ( 0.2094595 0.0000000 0.2094595), wk = 0.0020408 k( 33) = ( 0.2162162 0.0000000 0.2162162), wk = 0.0020408 k( 34) = ( 0.2229730 -0.0000000 0.2229730), wk = 0.0020408 k( 35) = ( 0.2297297 -0.0000000 0.2297297), wk = 0.0020408 k( 36) = ( 0.2364865 -0.0000000 0.2364865), wk = 0.0020408 k( 37) = ( 0.2432432 0.0000000 0.2432432), wk = 0.0020408 k( 38) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0020408 k( 39) = ( 0.2567568 0.0000000 0.2567568), wk = 0.0020408 k( 40) = ( 0.2635135 0.0000000 0.2635135), wk = 0.0020408 k( 41) = ( 0.2702703 -0.0000000 0.2702703), wk = 0.0020408 k( 42) = ( 0.2770270 0.0000000 0.2770270), wk = 0.0020408 k( 43) = ( 0.2837838 0.0000000 0.2837838), wk = 0.0020408 k( 44) = ( 0.2905405 -0.0000000 0.2905405), wk = 0.0020408 k( 45) = ( 0.2972973 0.0000000 0.2972973), wk = 0.0020408 k( 46) = ( 0.3040541 0.0000000 0.3040541), wk = 0.0020408 k( 47) = ( 0.3108108 0.0000000 0.3108108), wk = 0.0020408 k( 48) = ( 0.3175676 -0.0000000 0.3175676), wk = 0.0020408 k( 49) = ( 0.3243243 -0.0000000 0.3243243), wk = 0.0020408 k( 50) = ( 0.3310811 0.0000000 0.3310811), wk = 0.0020408 k( 51) = ( 0.3378378 -0.0000000 0.3378378), wk = 0.0020408 k( 52) = ( 0.3445946 -0.0000000 0.3445946), wk = 0.0020408 k( 53) = ( 0.3513514 -0.0000000 0.3513514), wk = 0.0020408 k( 54) = ( 0.3581081 0.0000000 0.3581081), wk = 0.0020408 k( 55) = ( 0.3648649 0.0000000 0.3648649), wk = 0.0020408 k( 56) = ( 0.3716216 -0.0000000 0.3716216), wk = 0.0020408 k( 57) = ( 0.3783784 0.0000000 0.3783784), wk = 0.0020408 k( 58) = ( 0.3851351 0.0000000 0.3851351), wk = 0.0020408 k( 59) = ( 0.3918919 0.0000000 0.3918919), wk = 0.0020408 k( 60) = ( 0.3986486 0.0000000 0.3986486), wk = 0.0020408 k( 61) = ( 0.4054054 0.0000000 0.4054054), wk = 0.0020408 k( 62) = ( 0.4121622 0.0000000 0.4121622), wk = 0.0020408 k( 63) = ( 0.4189189 0.0000000 0.4189189), wk = 0.0020408 k( 64) = ( 0.4256757 0.0000000 0.4256757), wk = 0.0020408 k( 65) = ( 0.4324324 0.0000000 0.4324324), wk = 0.0020408 k( 66) = ( 0.4391892 0.0000000 0.4391892), wk = 0.0020408 k( 67) = ( 0.4459459 0.0000000 0.4459459), wk = 0.0020408 k( 68) = ( 0.4527027 0.0000000 0.4527027), wk = 0.0020408 k( 69) = ( 0.4594595 -0.0000000 0.4594595), wk = 0.0020408 k( 70) = ( 0.4662162 0.0000000 0.4662162), wk = 0.0020408 k( 71) = ( 0.4729730 0.0000000 0.4729730), wk = 0.0020408 k( 72) = ( 0.4797297 -0.0000000 0.4797297), wk = 0.0020408 k( 73) = ( 0.4864865 0.0000000 0.4864865), wk = 0.0020408 k( 74) = ( 0.4932432 0.0000000 0.4932432), wk = 0.0020408 k( 75) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020408 k( 76) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020408 k( 77) = ( 0.5000000 0.0067568 0.5067568), wk = 0.0020408 k( 78) = ( 0.5000000 0.0135135 0.5135135), wk = 0.0020408 k( 79) = ( 0.5000000 0.0202703 0.5202703), wk = 0.0020408 k( 80) = ( 0.5000000 0.0270270 0.5270270), wk = 0.0020408 k( 81) = ( 0.5000000 0.0337838 0.5337838), wk = 0.0020408 k( 82) = ( 0.5000000 0.0405405 0.5405405), wk = 0.0020408 k( 83) = ( 0.5000000 0.0472973 0.5472973), wk = 0.0020408 k( 84) = ( 0.5000000 0.0540540 0.5540540), wk = 0.0020408 k( 85) = ( 0.5000000 0.0608108 0.5608108), wk = 0.0020408 k( 86) = ( 0.5000000 0.0675676 0.5675676), wk = 0.0020408 k( 87) = ( 0.5000000 0.0743243 0.5743243), wk = 0.0020408 k( 88) = ( 0.5000000 0.0810811 0.5810811), wk = 0.0020408 k( 89) = ( 0.5000000 0.0878378 0.5878378), wk = 0.0020408 k( 90) = ( 0.5000000 0.0945946 0.5945946), wk = 0.0020408 k( 91) = ( 0.5000000 0.1013514 0.6013514), wk = 0.0020408 k( 92) = ( 0.5000000 0.1081081 0.6081081), wk = 0.0020408 k( 93) = ( 0.5000000 0.1148649 0.6148649), wk = 0.0020408 k( 94) = ( 0.5000000 0.1216216 0.6216216), wk = 0.0020408 k( 95) = ( 0.5000000 0.1283784 0.6283784), wk = 0.0020408 k( 96) = ( 0.5000000 0.1351351 0.6351351), wk = 0.0020408 k( 97) = ( 0.5000000 0.1418919 0.6418919), wk = 0.0020408 k( 98) = ( 0.5000000 0.1486486 0.6486487), wk = 0.0020408 k( 99) = ( 0.5000000 0.1554054 0.6554054), wk = 0.0020408 k( 100) = ( 0.5000000 0.1621622 0.6621622), wk = 0.0020408 k( 101) = ( 0.5000000 0.1689189 0.6689189), wk = 0.0020408 k( 102) = ( 0.5000000 0.1756757 0.6756757), wk = 0.0020408 k( 103) = ( 0.5000000 0.1824324 0.6824324), wk = 0.0020408 k( 104) = ( 0.5000000 0.1891892 0.6891892), wk = 0.0020408 k( 105) = ( 0.5000000 0.1959460 0.6959460), wk = 0.0020408 k( 106) = ( 0.5000000 0.2027027 0.7027027), wk = 0.0020408 k( 107) = ( 0.5000000 0.2094595 0.7094595), wk = 0.0020408 k( 108) = ( 0.5000000 0.2162162 0.7162162), wk = 0.0020408 k( 109) = ( 0.5000000 0.2229730 0.7229730), wk = 0.0020408 k( 110) = ( 0.5000000 0.2297297 0.7297297), wk = 0.0020408 k( 111) = ( 0.5000000 0.2364865 0.7364865), wk = 0.0020408 k( 112) = ( 0.5000000 0.2432432 0.7432432), wk = 0.0020408 k( 113) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020408 k( 114) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020408 k( 115) = ( 0.4953704 0.2546296 0.7500000), wk = 0.0020408 k( 116) = ( 0.4907407 0.2592593 0.7500000), wk = 0.0020408 k( 117) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0020408 k( 118) = ( 0.4814815 0.2685185 0.7500000), wk = 0.0020408 k( 119) = ( 0.4768519 0.2731481 0.7500000), wk = 0.0020408 k( 120) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0020408 k( 121) = ( 0.4675926 0.2824074 0.7500000), wk = 0.0020408 k( 122) = ( 0.4629630 0.2870370 0.7500000), wk = 0.0020408 k( 123) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0020408 k( 124) = ( 0.4537037 0.2962963 0.7500000), wk = 0.0020408 k( 125) = ( 0.4490741 0.3009259 0.7500000), wk = 0.0020408 k( 126) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0020408 k( 127) = ( 0.4398148 0.3101852 0.7500000), wk = 0.0020408 k( 128) = ( 0.4351852 0.3148148 0.7500000), wk = 0.0020408 k( 129) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0020408 k( 130) = ( 0.4259259 0.3240741 0.7500000), wk = 0.0020408 k( 131) = ( 0.4212963 0.3287037 0.7500000), wk = 0.0020408 k( 132) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0020408 k( 133) = ( 0.4120370 0.3379630 0.7500000), wk = 0.0020408 k( 134) = ( 0.4074074 0.3425926 0.7500000), wk = 0.0020408 k( 135) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0020408 k( 136) = ( 0.3981481 0.3518519 0.7500000), wk = 0.0020408 k( 137) = ( 0.3935185 0.3564815 0.7500000), wk = 0.0020408 k( 138) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0020408 k( 139) = ( 0.3842593 0.3657407 0.7500000), wk = 0.0020408 k( 140) = ( 0.3796296 0.3703704 0.7500000), wk = 0.0020408 k( 141) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020408 k( 142) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020408 k( 143) = ( 0.3702532 0.3702532 0.7405063), wk = 0.0020408 k( 144) = ( 0.3655063 0.3655063 0.7310127), wk = 0.0020408 k( 145) = ( 0.3607595 0.3607595 0.7215190), wk = 0.0020408 k( 146) = ( 0.3560127 0.3560127 0.7120253), wk = 0.0020408 k( 147) = ( 0.3512658 0.3512658 0.7025317), wk = 0.0020408 k( 148) = ( 0.3465190 0.3465190 0.6930380), wk = 0.0020408 k( 149) = ( 0.3417721 0.3417721 0.6835443), wk = 0.0020408 k( 150) = ( 0.3370253 0.3370253 0.6740506), wk = 0.0020408 k( 151) = ( 0.3322785 0.3322785 0.6645570), wk = 0.0020408 k( 152) = ( 0.3275317 0.3275317 0.6550633), wk = 0.0020408 k( 153) = ( 0.3227848 0.3227848 0.6455696), wk = 0.0020408 k( 154) = ( 0.3180380 0.3180380 0.6360759), wk = 0.0020408 k( 155) = ( 0.3132911 0.3132911 0.6265823), wk = 0.0020408 k( 156) = ( 0.3085443 0.3085443 0.6170886), wk = 0.0020408 k( 157) = ( 0.3037975 0.3037975 0.6075949), wk = 0.0020408 k( 158) = ( 0.2990506 0.2990506 0.5981013), wk = 0.0020408 k( 159) = ( 0.2943038 0.2943038 0.5886076), wk = 0.0020408 k( 160) = ( 0.2895570 0.2895570 0.5791139), wk = 0.0020408 k( 161) = ( 0.2848101 0.2848101 0.5696203), wk = 0.0020408 k( 162) = ( 0.2800633 0.2800633 0.5601266), wk = 0.0020408 k( 163) = ( 0.2753165 0.2753165 0.5506329), wk = 0.0020408 k( 164) = ( 0.2705696 0.2705696 0.5411392), wk = 0.0020408 k( 165) = ( 0.2658228 0.2658228 0.5316456), wk = 0.0020408 k( 166) = ( 0.2610760 0.2610760 0.5221519), wk = 0.0020408 k( 167) = ( 0.2563291 0.2563291 0.5126582), wk = 0.0020408 k( 168) = ( 0.2515823 0.2515823 0.5031646), wk = 0.0020408 k( 169) = ( 0.2468354 0.2468354 0.4936709), wk = 0.0020408 k( 170) = ( 0.2420886 0.2420886 0.4841772), wk = 0.0020408 k( 171) = ( 0.2373418 0.2373418 0.4746835), wk = 0.0020408 k( 172) = ( 0.2325949 0.2325949 0.4651899), wk = 0.0020408 k( 173) = ( 0.2278481 0.2278481 0.4556962), wk = 0.0020408 k( 174) = ( 0.2231013 0.2231013 0.4462025), wk = 0.0020408 k( 175) = ( 0.2183544 0.2183544 0.4367089), wk = 0.0020408 k( 176) = ( 0.2136076 0.2136076 0.4272152), wk = 0.0020408 k( 177) = ( 0.2088608 0.2088608 0.4177215), wk = 0.0020408 k( 178) = ( 0.2041139 0.2041139 0.4082279), wk = 0.0020408 k( 179) = ( 0.1993671 0.1993671 0.3987342), wk = 0.0020408 k( 180) = ( 0.1946202 0.1946203 0.3892405), wk = 0.0020408 k( 181) = ( 0.1898734 0.1898734 0.3797468), wk = 0.0020408 k( 182) = ( 0.1851266 0.1851266 0.3702532), wk = 0.0020408 k( 183) = ( 0.1803798 0.1803798 0.3607595), wk = 0.0020408 k( 184) = ( 0.1756329 0.1756329 0.3512658), wk = 0.0020408 k( 185) = ( 0.1708861 0.1708861 0.3417722), wk = 0.0020408 k( 186) = ( 0.1661392 0.1661392 0.3322785), wk = 0.0020408 k( 187) = ( 0.1613924 0.1613924 0.3227848), wk = 0.0020408 k( 188) = ( 0.1566456 0.1566456 0.3132911), wk = 0.0020408 k( 189) = ( 0.1518987 0.1518987 0.3037975), wk = 0.0020408 k( 190) = ( 0.1471519 0.1471519 0.2943038), wk = 0.0020408 k( 191) = ( 0.1424051 0.1424051 0.2848101), wk = 0.0020408 k( 192) = ( 0.1376582 0.1376582 0.2753165), wk = 0.0020408 k( 193) = ( 0.1329114 0.1329114 0.2658228), wk = 0.0020408 k( 194) = ( 0.1281646 0.1281646 0.2563291), wk = 0.0020408 k( 195) = ( 0.1234177 0.1234177 0.2468354), wk = 0.0020408 k( 196) = ( 0.1186709 0.1186709 0.2373418), wk = 0.0020408 k( 197) = ( 0.1139240 0.1139240 0.2278481), wk = 0.0020408 k( 198) = ( 0.1091772 0.1091772 0.2183544), wk = 0.0020408 k( 199) = ( 0.1044304 0.1044304 0.2088608), wk = 0.0020408 k( 200) = ( 0.0996835 0.0996835 0.1993671), wk = 0.0020408 k( 201) = ( 0.0949367 0.0949367 0.1898734), wk = 0.0020408 k( 202) = ( 0.0901899 0.0901899 0.1803798), wk = 0.0020408 k( 203) = ( 0.0854430 0.0854430 0.1708861), wk = 0.0020408 k( 204) = ( 0.0806962 0.0806962 0.1613924), wk = 0.0020408 k( 205) = ( 0.0759494 0.0759494 0.1518987), wk = 0.0020408 k( 206) = ( 0.0712025 0.0712025 0.1424051), wk = 0.0020408 k( 207) = ( 0.0664557 0.0664557 0.1329114), wk = 0.0020408 k( 208) = ( 0.0617089 0.0617089 0.1234177), wk = 0.0020408 k( 209) = ( 0.0569620 0.0569620 0.1139240), wk = 0.0020408 k( 210) = ( 0.0522152 0.0522152 0.1044304), wk = 0.0020408 k( 211) = ( 0.0474683 0.0474683 0.0949367), wk = 0.0020408 k( 212) = ( 0.0427215 0.0427215 0.0854430), wk = 0.0020408 k( 213) = ( 0.0379747 0.0379747 0.0759494), wk = 0.0020408 k( 214) = ( 0.0332279 0.0332279 0.0664557), wk = 0.0020408 k( 215) = ( 0.0284810 0.0284810 0.0569620), wk = 0.0020408 k( 216) = ( 0.0237342 0.0237342 0.0474684), wk = 0.0020408 k( 217) = ( 0.0189873 0.0189873 0.0379747), wk = 0.0020408 k( 218) = ( 0.0142405 0.0142405 0.0284810), wk = 0.0020408 k( 219) = ( 0.0094937 0.0094937 0.0189873), wk = 0.0020408 k( 220) = ( 0.0047468 0.0047468 0.0094937), wk = 0.0020408 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 223) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0020408 k( 224) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0020408 k( 225) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0020408 k( 226) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0020408 k( 227) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0020408 k( 228) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0020408 k( 229) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0020408 k( 230) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0020408 k( 231) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0020408 k( 232) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0020408 k( 233) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0020408 k( 234) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0020408 k( 235) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0020408 k( 236) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0020408 k( 237) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0020408 k( 238) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0020408 k( 239) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0020408 k( 240) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0020408 k( 241) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0020408 k( 242) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0020408 k( 243) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0020408 k( 244) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0020408 k( 245) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0020408 k( 246) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0020408 k( 247) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0020408 k( 248) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0020408 k( 249) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0020408 k( 250) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0020408 k( 251) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0020408 k( 252) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0020408 k( 253) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0020408 k( 254) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020408 k( 255) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0020408 k( 256) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0020408 k( 257) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0020408 k( 258) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0020408 k( 259) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0020408 k( 260) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0020408 k( 261) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0020408 k( 262) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0020408 k( 263) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0020408 k( 264) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0020408 k( 265) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0020408 k( 266) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0020408 k( 267) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0020408 k( 268) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0020408 k( 269) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0020408 k( 270) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0020408 k( 271) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0020408 k( 272) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0020408 k( 273) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0020408 k( 274) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0020408 k( 275) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0020408 k( 276) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0020408 k( 277) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0020408 k( 278) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0020408 k( 279) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0020408 k( 280) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0020408 k( 281) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0020408 k( 282) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0020408 k( 283) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0020408 k( 284) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0020408 k( 285) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0020408 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020408 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020408 k( 288) = ( 0.5027174 0.4945652 0.5027174), wk = 0.0020408 k( 289) = ( 0.5054348 0.4891304 0.5054348), wk = 0.0020408 k( 290) = ( 0.5081522 0.4836956 0.5081522), wk = 0.0020408 k( 291) = ( 0.5108696 0.4782609 0.5108696), wk = 0.0020408 k( 292) = ( 0.5135870 0.4728261 0.5135870), wk = 0.0020408 k( 293) = ( 0.5163043 0.4673913 0.5163043), wk = 0.0020408 k( 294) = ( 0.5190217 0.4619565 0.5190217), wk = 0.0020408 k( 295) = ( 0.5217391 0.4565217 0.5217391), wk = 0.0020408 k( 296) = ( 0.5244565 0.4510870 0.5244565), wk = 0.0020408 k( 297) = ( 0.5271739 0.4456522 0.5271739), wk = 0.0020408 k( 298) = ( 0.5298913 0.4402174 0.5298913), wk = 0.0020408 k( 299) = ( 0.5326087 0.4347826 0.5326087), wk = 0.0020408 k( 300) = ( 0.5353261 0.4293478 0.5353261), wk = 0.0020408 k( 301) = ( 0.5380435 0.4239130 0.5380435), wk = 0.0020408 k( 302) = ( 0.5407609 0.4184783 0.5407609), wk = 0.0020408 k( 303) = ( 0.5434783 0.4130435 0.5434783), wk = 0.0020408 k( 304) = ( 0.5461957 0.4076087 0.5461957), wk = 0.0020408 k( 305) = ( 0.5489130 0.4021739 0.5489130), wk = 0.0020408 k( 306) = ( 0.5516304 0.3967391 0.5516304), wk = 0.0020408 k( 307) = ( 0.5543478 0.3913044 0.5543478), wk = 0.0020408 k( 308) = ( 0.5570652 0.3858696 0.5570652), wk = 0.0020408 k( 309) = ( 0.5597826 0.3804348 0.5597826), wk = 0.0020408 k( 310) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0020408 k( 311) = ( 0.5652174 0.3695652 0.5652174), wk = 0.0020408 k( 312) = ( 0.5679348 0.3641304 0.5679348), wk = 0.0020408 k( 313) = ( 0.5706522 0.3586956 0.5706522), wk = 0.0020408 k( 314) = ( 0.5733696 0.3532609 0.5733696), wk = 0.0020408 k( 315) = ( 0.5760870 0.3478261 0.5760870), wk = 0.0020408 k( 316) = ( 0.5788043 0.3423913 0.5788043), wk = 0.0020408 k( 317) = ( 0.5815217 0.3369565 0.5815217), wk = 0.0020408 k( 318) = ( 0.5842391 0.3315217 0.5842391), wk = 0.0020408 k( 319) = ( 0.5869565 0.3260870 0.5869565), wk = 0.0020408 k( 320) = ( 0.5896739 0.3206522 0.5896739), wk = 0.0020408 k( 321) = ( 0.5923913 0.3152174 0.5923913), wk = 0.0020408 k( 322) = ( 0.5951087 0.3097826 0.5951087), wk = 0.0020408 k( 323) = ( 0.5978261 0.3043478 0.5978261), wk = 0.0020408 k( 324) = ( 0.6005435 0.2989130 0.6005435), wk = 0.0020408 k( 325) = ( 0.6032609 0.2934783 0.6032609), wk = 0.0020408 k( 326) = ( 0.6059783 0.2880435 0.6059783), wk = 0.0020408 k( 327) = ( 0.6086957 0.2826087 0.6086957), wk = 0.0020408 k( 328) = ( 0.6114130 0.2771739 0.6114130), wk = 0.0020408 k( 329) = ( 0.6141304 0.2717391 0.6141304), wk = 0.0020408 k( 330) = ( 0.6168478 0.2663044 0.6168478), wk = 0.0020408 k( 331) = ( 0.6195652 0.2608696 0.6195652), wk = 0.0020408 k( 332) = ( 0.6222826 0.2554348 0.6222826), wk = 0.0020408 k( 333) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020408 k( 334) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020408 k( 335) = ( 0.6203704 0.2500000 0.6296296), wk = 0.0020408 k( 336) = ( 0.6157407 0.2500000 0.6342593), wk = 0.0020408 k( 337) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0020408 k( 338) = ( 0.6064815 0.2500000 0.6435185), wk = 0.0020408 k( 339) = ( 0.6018518 0.2500000 0.6481482), wk = 0.0020408 k( 340) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0020408 k( 341) = ( 0.5925926 0.2500000 0.6574074), wk = 0.0020408 k( 342) = ( 0.5879630 0.2500000 0.6620370), wk = 0.0020408 k( 343) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0020408 k( 344) = ( 0.5787037 0.2500000 0.6712963), wk = 0.0020408 k( 345) = ( 0.5740741 0.2500000 0.6759259), wk = 0.0020408 k( 346) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0020408 k( 347) = ( 0.5648148 0.2500000 0.6851852), wk = 0.0020408 k( 348) = ( 0.5601852 0.2500000 0.6898148), wk = 0.0020408 k( 349) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0020408 k( 350) = ( 0.5509259 0.2500000 0.6990741), wk = 0.0020408 k( 351) = ( 0.5462963 0.2500000 0.7037037), wk = 0.0020408 k( 352) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0020408 k( 353) = ( 0.5370370 0.2500000 0.7129630), wk = 0.0020408 k( 354) = ( 0.5324074 0.2500000 0.7175926), wk = 0.0020408 k( 355) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0020408 k( 356) = ( 0.5231482 0.2500000 0.7268519), wk = 0.0020408 k( 357) = ( 0.5185185 0.2500000 0.7314815), wk = 0.0020408 k( 358) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0020408 k( 359) = ( 0.5092593 0.2500000 0.7407407), wk = 0.0020408 k( 360) = ( 0.5046296 0.2500000 0.7453704), wk = 0.0020408 k( 361) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020408 k( 362) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020408 k( 363) = ( 0.5000000 0.2547170 0.7452830), wk = 0.0020408 k( 364) = ( 0.5000000 0.2594340 0.7405660), wk = 0.0020408 k( 365) = ( 0.5000000 0.2641509 0.7358491), wk = 0.0020408 k( 366) = ( 0.5000000 0.2688679 0.7311321), wk = 0.0020408 k( 367) = ( 0.5000000 0.2735849 0.7264151), wk = 0.0020408 k( 368) = ( 0.5000000 0.2783019 0.7216981), wk = 0.0020408 k( 369) = ( 0.5000000 0.2830189 0.7169811), wk = 0.0020408 k( 370) = ( 0.5000000 0.2877359 0.7122642), wk = 0.0020408 k( 371) = ( 0.5000000 0.2924528 0.7075472), wk = 0.0020408 k( 372) = ( 0.5000000 0.2971698 0.7028302), wk = 0.0020408 k( 373) = ( 0.5000000 0.3018868 0.6981132), wk = 0.0020408 k( 374) = ( 0.5000000 0.3066038 0.6933962), wk = 0.0020408 k( 375) = ( 0.5000000 0.3113207 0.6886793), wk = 0.0020408 k( 376) = ( 0.5000000 0.3160377 0.6839623), wk = 0.0020408 k( 377) = ( 0.5000000 0.3207547 0.6792453), wk = 0.0020408 k( 378) = ( 0.5000000 0.3254717 0.6745283), wk = 0.0020408 k( 379) = ( 0.5000000 0.3301887 0.6698113), wk = 0.0020408 k( 380) = ( 0.5000000 0.3349057 0.6650943), wk = 0.0020408 k( 381) = ( 0.5000000 0.3396226 0.6603774), wk = 0.0020408 k( 382) = ( 0.5000000 0.3443396 0.6556604), wk = 0.0020408 k( 383) = ( 0.5000000 0.3490566 0.6509434), wk = 0.0020408 k( 384) = ( 0.5000000 0.3537736 0.6462264), wk = 0.0020408 k( 385) = ( 0.5000000 0.3584906 0.6415094), wk = 0.0020408 k( 386) = ( 0.5000000 0.3632076 0.6367924), wk = 0.0020408 k( 387) = ( 0.5000000 0.3679245 0.6320755), wk = 0.0020408 k( 388) = ( 0.5000000 0.3726415 0.6273585), wk = 0.0020408 k( 389) = ( 0.5000000 0.3773585 0.6226415), wk = 0.0020408 k( 390) = ( 0.5000000 0.3820755 0.6179245), wk = 0.0020408 k( 391) = ( 0.5000000 0.3867925 0.6132076), wk = 0.0020408 k( 392) = ( 0.5000000 0.3915094 0.6084906), wk = 0.0020408 k( 393) = ( 0.5000000 0.3962264 0.6037736), wk = 0.0020408 k( 394) = ( 0.5000000 0.4009434 0.5990566), wk = 0.0020408 k( 395) = ( 0.5000000 0.4056604 0.5943396), wk = 0.0020408 k( 396) = ( 0.5000000 0.4103774 0.5896226), wk = 0.0020408 k( 397) = ( 0.5000000 0.4150943 0.5849057), wk = 0.0020408 k( 398) = ( 0.5000000 0.4198113 0.5801887), wk = 0.0020408 k( 399) = ( 0.5000000 0.4245283 0.5754717), wk = 0.0020408 k( 400) = ( 0.5000000 0.4292453 0.5707547), wk = 0.0020408 k( 401) = ( 0.5000000 0.4339623 0.5660377), wk = 0.0020408 k( 402) = ( 0.5000000 0.4386793 0.5613208), wk = 0.0020408 k( 403) = ( 0.5000000 0.4433962 0.5566038), wk = 0.0020408 k( 404) = ( 0.5000000 0.4481132 0.5518868), wk = 0.0020408 k( 405) = ( 0.5000000 0.4528302 0.5471698), wk = 0.0020408 k( 406) = ( 0.5000000 0.4575472 0.5424528), wk = 0.0020408 k( 407) = ( 0.5000000 0.4622642 0.5377359), wk = 0.0020408 k( 408) = ( 0.5000000 0.4669811 0.5330189), wk = 0.0020408 k( 409) = ( 0.5000000 0.4716981 0.5283019), wk = 0.0020408 k( 410) = ( 0.5000000 0.4764151 0.5235849), wk = 0.0020408 k( 411) = ( 0.5000000 0.4811321 0.5188679), wk = 0.0020408 k( 412) = ( 0.5000000 0.4858491 0.5141509), wk = 0.0020408 k( 413) = ( 0.5000000 0.4905660 0.5094340), wk = 0.0020408 k( 414) = ( 0.5000000 0.4952830 0.5047170), wk = 0.0020408 k( 415) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020408 k( 416) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020408 k( 417) = ( 0.4972826 0.4972826 0.5054348), wk = 0.0020408 k( 418) = ( 0.4945652 0.4945652 0.5108696), wk = 0.0020408 k( 419) = ( 0.4918478 0.4918478 0.5163043), wk = 0.0020408 k( 420) = ( 0.4891304 0.4891304 0.5217391), wk = 0.0020408 k( 421) = ( 0.4864130 0.4864130 0.5271739), wk = 0.0020408 k( 422) = ( 0.4836956 0.4836956 0.5326087), wk = 0.0020408 k( 423) = ( 0.4809783 0.4809783 0.5380435), wk = 0.0020408 k( 424) = ( 0.4782609 0.4782609 0.5434783), wk = 0.0020408 k( 425) = ( 0.4755435 0.4755435 0.5489130), wk = 0.0020408 k( 426) = ( 0.4728261 0.4728261 0.5543478), wk = 0.0020408 k( 427) = ( 0.4701087 0.4701087 0.5597826), wk = 0.0020408 k( 428) = ( 0.4673913 0.4673913 0.5652174), wk = 0.0020408 k( 429) = ( 0.4646739 0.4646739 0.5706522), wk = 0.0020408 k( 430) = ( 0.4619565 0.4619565 0.5760870), wk = 0.0020408 k( 431) = ( 0.4592391 0.4592391 0.5815217), wk = 0.0020408 k( 432) = ( 0.4565217 0.4565217 0.5869565), wk = 0.0020408 k( 433) = ( 0.4538044 0.4538044 0.5923913), wk = 0.0020408 k( 434) = ( 0.4510870 0.4510870 0.5978261), wk = 0.0020408 k( 435) = ( 0.4483696 0.4483696 0.6032609), wk = 0.0020408 k( 436) = ( 0.4456522 0.4456522 0.6086957), wk = 0.0020408 k( 437) = ( 0.4429348 0.4429348 0.6141304), wk = 0.0020408 k( 438) = ( 0.4402174 0.4402174 0.6195652), wk = 0.0020408 k( 439) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0020408 k( 440) = ( 0.4347826 0.4347826 0.6304348), wk = 0.0020408 k( 441) = ( 0.4320652 0.4320652 0.6358696), wk = 0.0020408 k( 442) = ( 0.4293478 0.4293478 0.6413043), wk = 0.0020408 k( 443) = ( 0.4266304 0.4266304 0.6467391), wk = 0.0020408 k( 444) = ( 0.4239130 0.4239130 0.6521739), wk = 0.0020408 k( 445) = ( 0.4211956 0.4211957 0.6576087), wk = 0.0020408 k( 446) = ( 0.4184783 0.4184783 0.6630435), wk = 0.0020408 k( 447) = ( 0.4157609 0.4157609 0.6684783), wk = 0.0020408 k( 448) = ( 0.4130435 0.4130435 0.6739130), wk = 0.0020408 k( 449) = ( 0.4103261 0.4103261 0.6793478), wk = 0.0020408 k( 450) = ( 0.4076087 0.4076087 0.6847826), wk = 0.0020408 k( 451) = ( 0.4048913 0.4048913 0.6902174), wk = 0.0020408 k( 452) = ( 0.4021739 0.4021739 0.6956522), wk = 0.0020408 k( 453) = ( 0.3994565 0.3994565 0.7010870), wk = 0.0020408 k( 454) = ( 0.3967391 0.3967391 0.7065217), wk = 0.0020408 k( 455) = ( 0.3940217 0.3940217 0.7119565), wk = 0.0020408 k( 456) = ( 0.3913044 0.3913044 0.7173913), wk = 0.0020408 k( 457) = ( 0.3885870 0.3885870 0.7228261), wk = 0.0020408 k( 458) = ( 0.3858696 0.3858696 0.7282609), wk = 0.0020408 k( 459) = ( 0.3831522 0.3831522 0.7336957), wk = 0.0020408 k( 460) = ( 0.3804348 0.3804348 0.7391304), wk = 0.0020408 k( 461) = ( 0.3777174 0.3777174 0.7445652), wk = 0.0020408 k( 462) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020408 k( 463) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020408 k( 464) = ( 0.6203704 0.2407407 0.6203704), wk = 0.0020408 k( 465) = ( 0.6157407 0.2314815 0.6157407), wk = 0.0020408 k( 466) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0020408 k( 467) = ( 0.6064815 0.2129630 0.6064815), wk = 0.0020408 k( 468) = ( 0.6018518 0.2037037 0.6018519), wk = 0.0020408 k( 469) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0020408 k( 470) = ( 0.5925926 0.1851852 0.5925926), wk = 0.0020408 k( 471) = ( 0.5879630 0.1759259 0.5879630), wk = 0.0020408 k( 472) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0020408 k( 473) = ( 0.5787037 0.1574074 0.5787037), wk = 0.0020408 k( 474) = ( 0.5740741 0.1481482 0.5740741), wk = 0.0020408 k( 475) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0020408 k( 476) = ( 0.5648148 0.1296296 0.5648148), wk = 0.0020408 k( 477) = ( 0.5601852 0.1203704 0.5601852), wk = 0.0020408 k( 478) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0020408 k( 479) = ( 0.5509259 0.1018518 0.5509259), wk = 0.0020408 k( 480) = ( 0.5462963 0.0925926 0.5462963), wk = 0.0020408 k( 481) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0020408 k( 482) = ( 0.5370370 0.0740741 0.5370370), wk = 0.0020408 k( 483) = ( 0.5324074 0.0648148 0.5324074), wk = 0.0020408 k( 484) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0020408 k( 485) = ( 0.5231482 0.0462963 0.5231482), wk = 0.0020408 k( 486) = ( 0.5185185 0.0370370 0.5185185), wk = 0.0020408 k( 487) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0020408 k( 488) = ( 0.5092593 0.0185185 0.5092593), wk = 0.0020408 k( 489) = ( 0.5046296 0.0092593 0.5046296), wk = 0.0020408 k( 490) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020408 Dense grid: 12387 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 6231 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 36, 26) NL pseudopotentials 0.01 Mb ( 18, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 257) G-vector shells 0.00 Mb ( 123) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 36, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) The potential is recalculated from file : ./CuF.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 40.5 secs Computing kpt #: 2 total cpu time spent up to now is 40.6 secs Computing kpt #: 3 total cpu time spent up to now is 40.8 secs Computing kpt #: 4 total cpu time spent up to now is 41.0 secs Computing kpt #: 5 total cpu time spent up to now is 41.2 secs Computing kpt #: 6 total cpu time spent up to now is 41.4 secs Computing kpt #: 7 total cpu time spent up to now is 41.5 secs Computing kpt #: 8 total cpu time spent up to now is 41.7 secs Computing kpt #: 9 total cpu time spent up to now is 41.9 secs Computing kpt #: 10 total cpu time spent up to now is 42.1 secs Computing kpt #: 11 total cpu time spent up to now is 42.3 secs Computing kpt #: 12 total cpu time spent up to now is 42.5 secs Computing kpt #: 13 total cpu time spent up to now is 42.7 secs Computing kpt #: 14 total cpu time spent up to now is 42.9 secs Computing kpt #: 15 total cpu time spent up to now is 43.1 secs Computing kpt #: 16 total cpu time spent up to now is 43.3 secs Computing kpt #: 17 total cpu time spent up to now is 43.4 secs Computing kpt #: 18 total cpu time spent up to now is 43.6 secs Computing kpt #: 19 total cpu time spent up to now is 43.8 secs Computing kpt #: 20 total cpu time spent up to now is 44.0 secs Computing kpt #: 21 total cpu time spent up to now is 44.3 secs Computing kpt #: 22 total cpu time spent up to now is 44.5 secs Computing kpt #: 23 total cpu time spent up to now is 44.8 secs Computing kpt #: 24 total cpu time spent up to now is 45.1 secs Computing kpt #: 25 total cpu time spent up to now is 45.4 secs Computing kpt #: 26 total cpu time spent up to now is 45.7 secs Computing kpt #: 27 total cpu time spent up to now is 46.1 secs Computing kpt #: 28 total cpu time spent up to now is 46.3 secs Computing kpt #: 29 total cpu time spent up to now is 46.7 secs Computing kpt #: 30 total cpu time spent up to now is 47.0 secs Computing kpt #: 31 total cpu time spent up to now is 47.3 secs Computing kpt #: 32 total cpu time spent up to now is 47.5 secs Computing kpt #: 33 total cpu time spent up to now is 47.8 secs Computing kpt #: 34 total cpu time spent up to now is 48.1 secs Computing kpt #: 35 total cpu time spent up to now is 48.4 secs Computing kpt #: 36 total cpu time spent up to now is 48.6 secs Computing kpt #: 37 total cpu time spent up to now is 48.8 secs Computing kpt #: 38 total cpu time spent up to now is 49.0 secs Computing kpt #: 39 total cpu time spent up to now is 49.3 secs Computing kpt #: 40 total cpu time spent up to now is 49.6 secs Computing kpt #: 41 total cpu time spent up to now is 50.0 secs Computing kpt #: 42 total cpu time spent up to now is 50.4 secs Computing kpt #: 43 total cpu time spent up to now is 50.7 secs Computing kpt #: 44 total cpu time spent up to now is 50.9 secs Computing kpt #: 45 total cpu time spent up to now is 51.1 secs Computing kpt #: 46 total cpu time spent up to now is 51.3 secs Computing kpt #: 47 total cpu time spent up to now is 51.5 secs Computing kpt #: 48 total cpu time spent up to now is 51.7 secs Computing kpt #: 49 total cpu time spent up to now is 51.9 secs Computing kpt #: 50 total cpu time spent up to now is 52.0 secs Computing kpt #: 51 total cpu time spent up to now is 52.2 secs Computing kpt #: 52 total cpu time spent up to now is 52.4 secs Computing kpt #: 53 total cpu time spent up to now is 52.6 secs Computing kpt #: 54 total cpu time spent up to now is 52.8 secs Computing kpt #: 55 total cpu time spent up to now is 53.0 secs Computing kpt #: 56 total cpu time spent up to now is 53.1 secs Computing kpt #: 57 total cpu time spent up to now is 53.3 secs Computing kpt #: 58 total cpu time spent up to now is 53.5 secs Computing kpt #: 59 total cpu time spent up to now is 53.9 secs Computing kpt #: 60 total cpu time spent up to now is 54.3 secs Computing kpt #: 61 total cpu time spent up to now is 54.5 secs Computing kpt #: 62 total cpu time spent up to now is 54.8 secs Computing kpt #: 63 total cpu time spent up to now is 55.0 secs Computing kpt #: 64 total cpu time spent up to now is 55.3 secs Computing kpt #: 65 total cpu time spent up to now is 55.5 secs Computing kpt #: 66 total cpu time spent up to now is 55.8 secs Computing kpt #: 67 total cpu time spent up to now is 56.1 secs Computing kpt #: 68 total cpu time spent up to now is 56.3 secs Computing kpt #: 69 total cpu time spent up to now is 56.5 secs Computing kpt #: 70 total cpu time spent up to now is 56.8 secs Computing kpt #: 71 total cpu time spent up to now is 57.0 secs Computing kpt #: 72 total cpu time spent up to now is 57.2 secs Computing kpt #: 73 total cpu time spent up to now is 57.4 secs Computing kpt #: 74 total cpu time spent up to now is 57.8 secs Computing kpt #: 75 total cpu time spent up to now is 58.2 secs Computing kpt #: 76 total cpu time spent up to now is 58.4 secs Computing kpt #: 77 total cpu time spent up to now is 58.6 secs Computing kpt #: 78 total cpu time spent up to now is 58.8 secs Computing kpt #: 79 total cpu time spent up to now is 59.1 secs Computing kpt #: 80 total cpu time spent up to now is 59.3 secs Computing kpt #: 81 total cpu time spent up to now is 59.5 secs Computing kpt #: 82 total cpu time spent up to now is 59.7 secs Computing kpt #: 83 total cpu time spent up to now is 59.8 secs Computing kpt #: 84 total cpu time spent up to now is 60.2 secs Computing kpt #: 85 total cpu time spent up to now is 60.4 secs Computing kpt #: 86 total cpu time spent up to now is 60.6 secs Computing kpt #: 87 total cpu time spent up to now is 60.8 secs Computing kpt #: 88 total cpu time spent up to now is 61.0 secs Computing kpt #: 89 total cpu time spent up to now is 61.1 secs Computing kpt #: 90 total cpu time spent up to now is 61.3 secs Computing kpt #: 91 total cpu time spent up to now is 61.5 secs Computing kpt #: 92 total cpu time spent up to now is 61.8 secs Computing kpt #: 93 total cpu time spent up to now is 62.0 secs Computing kpt #: 94 total cpu time spent up to now is 62.3 secs Computing kpt #: 95 total cpu time spent up to now is 62.6 secs Computing kpt #: 96 total cpu time spent up to now is 62.8 secs Computing kpt #: 97 total cpu time spent up to now is 63.1 secs Computing kpt #: 98 total cpu time spent up to now is 63.4 secs Computing kpt #: 99 total cpu time spent up to now is 63.7 secs Computing kpt #: 100 total cpu time spent up to now is 63.9 secs Computing kpt #: 101 total cpu time spent up to now is 64.1 secs Computing kpt #: 102 total cpu time spent up to now is 64.4 secs Computing kpt #: 103 total cpu time spent up to now is 64.7 secs Computing kpt #: 104 total cpu time spent up to now is 64.9 secs Computing kpt #: 105 total cpu time spent up to now is 65.1 secs Computing kpt #: 106 total cpu time spent up to now is 65.3 secs Computing kpt #: 107 total cpu time spent up to now is 65.6 secs Computing kpt #: 108 total cpu time spent up to now is 65.8 secs Computing kpt #: 109 total cpu time spent up to now is 66.1 secs Computing kpt #: 110 total cpu time spent up to now is 66.3 secs Computing kpt #: 111 total cpu time spent up to now is 66.5 secs Computing kpt #: 112 total cpu time spent up to now is 66.8 secs Computing kpt #: 113 total cpu time spent up to now is 67.1 secs Computing kpt #: 114 total cpu time spent up to now is 67.3 secs Computing kpt #: 115 total cpu time spent up to now is 67.4 secs Computing kpt #: 116 total cpu time spent up to now is 67.6 secs Computing kpt #: 117 total cpu time spent up to now is 67.9 secs Computing kpt #: 118 total cpu time spent up to now is 68.1 secs Computing kpt #: 119 total cpu time spent up to now is 68.3 secs Computing kpt #: 120 total cpu time spent up to now is 68.6 secs Computing kpt #: 121 total cpu time spent up to now is 68.7 secs Computing kpt #: 122 total cpu time spent up to now is 68.9 secs Computing kpt #: 123 total cpu time spent up to now is 69.0 secs Computing kpt #: 124 total cpu time spent up to now is 69.2 secs Computing kpt #: 125 total cpu time spent up to now is 69.4 secs Computing kpt #: 126 total cpu time spent up to now is 69.5 secs Computing kpt #: 127 total cpu time spent up to now is 69.7 secs Computing kpt #: 128 total cpu time spent up to now is 69.9 secs Computing kpt #: 129 total cpu time spent up to now is 70.0 secs Computing kpt #: 130 total cpu time spent up to now is 70.2 secs Computing kpt #: 131 total cpu time spent up to now is 70.4 secs Computing kpt #: 132 total cpu time spent up to now is 70.7 secs Computing kpt #: 133 total cpu time spent up to now is 70.9 secs Computing kpt #: 134 total cpu time spent up to now is 71.2 secs Computing kpt #: 135 total cpu time spent up to now is 71.4 secs Computing kpt #: 136 total cpu time spent up to now is 71.7 secs Computing kpt #: 137 total cpu time spent up to now is 72.1 secs Computing kpt #: 138 total cpu time spent up to now is 72.3 secs Computing kpt #: 139 total cpu time spent up to now is 72.5 secs Computing kpt #: 140 total cpu time spent up to now is 72.8 secs Computing kpt #: 141 total cpu time spent up to now is 73.0 secs Computing kpt #: 142 total cpu time spent up to now is 73.4 secs Computing kpt #: 143 total cpu time spent up to now is 73.6 secs Computing kpt #: 144 total cpu time spent up to now is 73.8 secs Computing kpt #: 145 total cpu time spent up to now is 74.2 secs Computing kpt #: 146 total cpu time spent up to now is 74.6 secs Computing kpt #: 147 total cpu time spent up to now is 74.9 secs Computing kpt #: 148 total cpu time spent up to now is 75.1 secs Computing kpt #: 149 total cpu time spent up to now is 75.3 secs Computing kpt #: 150 total cpu time spent up to now is 75.5 secs Computing kpt #: 151 total cpu time spent up to now is 75.7 secs Computing kpt #: 152 total cpu time spent up to now is 75.9 secs Computing kpt #: 153 total cpu time spent up to now is 76.4 secs Computing kpt #: 154 total cpu time spent up to now is 76.7 secs Computing kpt #: 155 total cpu time spent up to now is 76.9 secs Computing kpt #: 156 total cpu time spent up to now is 77.2 secs Computing kpt #: 157 total cpu time spent up to now is 77.5 secs Computing kpt #: 158 total cpu time spent up to now is 77.7 secs Computing kpt #: 159 total cpu time spent up to now is 77.8 secs Computing kpt #: 160 total cpu time spent up to now is 78.0 secs Computing kpt #: 161 total cpu time spent up to now is 78.2 secs Computing kpt #: 162 total cpu time spent up to now is 78.3 secs Computing kpt #: 163 total cpu time spent up to now is 78.5 secs Computing kpt #: 164 total cpu time spent up to now is 78.7 secs Computing kpt #: 165 total cpu time spent up to now is 78.9 secs Computing kpt #: 166 total cpu time spent up to now is 79.0 secs Computing kpt #: 167 total cpu time spent up to now is 79.2 secs Computing kpt #: 168 total cpu time spent up to now is 79.4 secs Computing kpt #: 169 total cpu time spent up to now is 79.5 secs Computing kpt #: 170 total cpu time spent up to now is 79.7 secs Computing kpt #: 171 total cpu time spent up to now is 79.9 secs Computing kpt #: 172 total cpu time spent up to now is 80.1 secs Computing kpt #: 173 total cpu time spent up to now is 80.2 secs Computing kpt #: 174 total cpu time spent up to now is 80.4 secs Computing kpt #: 175 total cpu time spent up to now is 80.8 secs Computing kpt #: 176 total cpu time spent up to now is 81.1 secs Computing kpt #: 177 total cpu time spent up to now is 81.4 secs Computing kpt #: 178 total cpu time spent up to now is 81.7 secs Computing kpt #: 179 total cpu time spent up to now is 82.0 secs Computing kpt #: 180 total cpu time spent up to now is 82.2 secs Computing kpt #: 181 total cpu time spent up to now is 82.4 secs Computing kpt #: 182 total cpu time spent up to now is 82.6 secs Computing kpt #: 183 total cpu time spent up to now is 82.9 secs Computing kpt #: 184 total cpu time spent up to now is 83.1 secs Computing kpt #: 185 total cpu time spent up to now is 83.5 secs Computing kpt #: 186 total cpu time spent up to now is 83.8 secs Computing kpt #: 187 total cpu time spent up to now is 84.2 secs Computing kpt #: 188 total cpu time spent up to now is 84.4 secs Computing kpt #: 189 total cpu time spent up to now is 85.0 secs Computing kpt #: 190 total cpu time spent up to now is 85.3 secs Computing kpt #: 191 total cpu time spent up to now is 85.6 secs Computing kpt #: 192 total cpu time spent up to now is 85.9 secs Computing kpt #: 193 total cpu time spent up to now is 86.2 secs Computing kpt #: 194 total cpu time spent up to now is 86.5 secs Computing kpt #: 195 total cpu time spent up to now is 86.7 secs Computing kpt #: 196 total cpu time spent up to now is 86.9 secs Computing kpt #: 197 total cpu time spent up to now is 87.2 secs Computing kpt #: 198 total cpu time spent up to now is 87.5 secs Computing kpt #: 199 total cpu time spent up to now is 87.7 secs Computing kpt #: 200 total cpu time spent up to now is 88.0 secs Computing kpt #: 201 total cpu time spent up to now is 88.2 secs Computing kpt #: 202 total cpu time spent up to now is 88.4 secs Computing kpt #: 203 total cpu time spent up to now is 88.6 secs Computing kpt #: 204 total cpu time spent up to now is 88.8 secs Computing kpt #: 205 total cpu time spent up to now is 89.0 secs Computing kpt #: 206 total cpu time spent up to now is 89.2 secs Computing kpt #: 207 total cpu time spent up to now is 89.3 secs Computing kpt #: 208 total cpu time spent up to now is 89.5 secs Computing kpt #: 209 total cpu time spent up to now is 89.7 secs Computing kpt #: 210 total cpu time spent up to now is 89.9 secs Computing kpt #: 211 total cpu time spent up to now is 90.2 secs Computing kpt #: 212 total cpu time spent up to now is 90.4 secs Computing kpt #: 213 total cpu time spent up to now is 90.6 secs Computing kpt #: 214 total cpu time spent up to now is 90.8 secs Computing kpt #: 215 total cpu time spent up to now is 91.1 secs Computing kpt #: 216 total cpu time spent up to now is 91.3 secs Computing kpt #: 217 total cpu time spent up to now is 91.6 secs Computing kpt #: 218 total cpu time spent up to now is 91.9 secs Computing kpt #: 219 total cpu time spent up to now is 92.1 secs Computing kpt #: 220 total cpu time spent up to now is 92.6 secs Computing kpt #: 221 total cpu time spent up to now is 93.1 secs Computing kpt #: 222 total cpu time spent up to now is 93.3 secs Computing kpt #: 223 total cpu time spent up to now is 93.5 secs Computing kpt #: 224 total cpu time spent up to now is 93.7 secs Computing kpt #: 225 total cpu time spent up to now is 94.0 secs Computing kpt #: 226 total cpu time spent up to now is 94.2 secs Computing kpt #: 227 total cpu time spent up to now is 94.5 secs Computing kpt #: 228 total cpu time spent up to now is 94.7 secs Computing kpt #: 229 total cpu time spent up to now is 95.0 secs Computing kpt #: 230 total cpu time spent up to now is 95.4 secs Computing kpt #: 231 total cpu time spent up to now is 95.7 secs Computing kpt #: 232 total cpu time spent up to now is 95.9 secs Computing kpt #: 233 total cpu time spent up to now is 96.1 secs Computing kpt #: 234 total cpu time spent up to now is 96.3 secs Computing kpt #: 235 total cpu time spent up to now is 96.4 secs Computing kpt #: 236 total cpu time spent up to now is 96.6 secs Computing kpt #: 237 total cpu time spent up to now is 96.8 secs Computing kpt #: 238 total cpu time spent up to now is 97.0 secs Computing kpt #: 239 total cpu time spent up to now is 97.2 secs Computing kpt #: 240 total cpu time spent up to now is 97.4 secs Computing kpt #: 241 total cpu time spent up to now is 97.7 secs Computing kpt #: 242 total cpu time spent up to now is 97.9 secs Computing kpt #: 243 total cpu time spent up to now is 98.2 secs Computing kpt #: 244 total cpu time spent up to now is 98.4 secs Computing kpt #: 245 total cpu time spent up to now is 98.6 secs Computing kpt #: 246 total cpu time spent up to now is 98.9 secs Computing kpt #: 247 total cpu time spent up to now is 99.1 secs Computing kpt #: 248 total cpu time spent up to now is 99.5 secs Computing kpt #: 249 total cpu time spent up to now is 99.8 secs Computing kpt #: 250 total cpu time spent up to now is 100.0 secs Computing kpt #: 251 total cpu time spent up to now is 100.1 secs Computing kpt #: 252 total cpu time spent up to now is 100.4 secs Computing kpt #: 253 total cpu time spent up to now is 100.7 secs Computing kpt #: 254 total cpu time spent up to now is 101.2 secs Computing kpt #: 255 total cpu time spent up to now is 101.4 secs Computing kpt #: 256 total cpu time spent up to now is 101.6 secs Computing kpt #: 257 total cpu time spent up to now is 101.8 secs Computing kpt #: 258 total cpu time spent up to now is 102.0 secs Computing kpt #: 259 total cpu time spent up to now is 102.1 secs Computing kpt #: 260 total cpu time spent up to now is 102.3 secs Computing kpt #: 261 total cpu time spent up to now is 102.5 secs Computing kpt #: 262 total cpu time spent up to now is 102.7 secs Computing kpt #: 263 total cpu time spent up to now is 102.8 secs Computing kpt #: 264 total cpu time spent up to now is 103.0 secs Computing kpt #: 265 total cpu time spent up to now is 103.2 secs Computing kpt #: 266 total cpu time spent up to now is 103.6 secs Computing kpt #: 267 total cpu time spent up to now is 103.7 secs Computing kpt #: 268 total cpu time spent up to now is 103.9 secs Computing kpt #: 269 total cpu time spent up to now is 104.1 secs Computing kpt #: 270 total cpu time spent up to now is 104.3 secs Computing kpt #: 271 total cpu time spent up to now is 104.5 secs Computing kpt #: 272 total cpu time spent up to now is 104.9 secs Computing kpt #: 273 total cpu time spent up to now is 105.2 secs Computing kpt #: 274 total cpu time spent up to now is 105.4 secs Computing kpt #: 275 total cpu time spent up to now is 105.6 secs Computing kpt #: 276 total cpu time spent up to now is 105.8 secs Computing kpt #: 277 total cpu time spent up to now is 106.1 secs Computing kpt #: 278 total cpu time spent up to now is 106.4 secs Computing kpt #: 279 total cpu time spent up to now is 106.6 secs Computing kpt #: 280 total cpu time spent up to now is 106.8 secs Computing kpt #: 281 total cpu time spent up to now is 107.2 secs Computing kpt #: 282 total cpu time spent up to now is 107.4 secs Computing kpt #: 283 total cpu time spent up to now is 107.7 secs Computing kpt #: 284 total cpu time spent up to now is 107.9 secs Computing kpt #: 285 total cpu time spent up to now is 108.1 secs Computing kpt #: 286 total cpu time spent up to now is 108.3 secs Computing kpt #: 287 total cpu time spent up to now is 108.5 secs Computing kpt #: 288 total cpu time spent up to now is 108.6 secs Computing kpt #: 289 total cpu time spent up to now is 108.8 secs Computing kpt #: 290 total cpu time spent up to now is 109.0 secs Computing kpt #: 291 total cpu time spent up to now is 109.2 secs Computing kpt #: 292 total cpu time spent up to now is 109.3 secs Computing kpt #: 293 total cpu time spent up to now is 109.5 secs Computing kpt #: 294 total cpu time spent up to now is 109.7 secs Computing kpt #: 295 total cpu time spent up to now is 109.9 secs Computing kpt #: 296 total cpu time spent up to now is 110.1 secs Computing kpt #: 297 total cpu time spent up to now is 110.5 secs Computing kpt #: 298 total cpu time spent up to now is 110.8 secs Computing kpt #: 299 total cpu time spent up to now is 110.9 secs Computing kpt #: 300 total cpu time spent up to now is 111.1 secs Computing kpt #: 301 total cpu time spent up to now is 111.3 secs Computing kpt #: 302 total cpu time spent up to now is 111.5 secs Computing kpt #: 303 total cpu time spent up to now is 111.6 secs Computing kpt #: 304 total cpu time spent up to now is 111.8 secs Computing kpt #: 305 total cpu time spent up to now is 112.0 secs Computing kpt #: 306 total cpu time spent up to now is 112.2 secs Computing kpt #: 307 total cpu time spent up to now is 112.3 secs Computing kpt #: 308 total cpu time spent up to now is 112.5 secs Computing kpt #: 309 total cpu time spent up to now is 112.7 secs Computing kpt #: 310 total cpu time spent up to now is 112.9 secs Computing kpt #: 311 total cpu time spent up to now is 113.0 secs Computing kpt #: 312 total cpu time spent up to now is 113.2 secs Computing kpt #: 313 total cpu time spent up to now is 113.4 secs Computing kpt #: 314 total cpu time spent up to now is 113.5 secs Computing kpt #: 315 total cpu time spent up to now is 113.7 secs Computing kpt #: 316 total cpu time spent up to now is 114.1 secs Computing kpt #: 317 total cpu time spent up to now is 114.3 secs Computing kpt #: 318 total cpu time spent up to now is 114.5 secs Computing kpt #: 319 total cpu time spent up to now is 114.7 secs Computing kpt #: 320 total cpu time spent up to now is 114.8 secs Computing kpt #: 321 total cpu time spent up to now is 115.0 secs Computing kpt #: 322 total cpu time spent up to now is 115.2 secs Computing kpt #: 323 total cpu time spent up to now is 115.4 secs Computing kpt #: 324 total cpu time spent up to now is 115.6 secs Computing kpt #: 325 total cpu time spent up to now is 115.7 secs Computing kpt #: 326 total cpu time spent up to now is 115.9 secs Computing kpt #: 327 total cpu time spent up to now is 116.1 secs Computing kpt #: 328 total cpu time spent up to now is 116.5 secs Computing kpt #: 329 total cpu time spent up to now is 116.7 secs Computing kpt #: 330 total cpu time spent up to now is 117.1 secs Computing kpt #: 331 total cpu time spent up to now is 117.4 secs Computing kpt #: 332 total cpu time spent up to now is 117.7 secs Computing kpt #: 333 total cpu time spent up to now is 118.0 secs Computing kpt #: 334 total cpu time spent up to now is 118.3 secs Computing kpt #: 335 total cpu time spent up to now is 118.6 secs Computing kpt #: 336 total cpu time spent up to now is 119.0 secs Computing kpt #: 337 total cpu time spent up to now is 119.5 secs Computing kpt #: 338 total cpu time spent up to now is 120.0 secs Computing kpt #: 339 total cpu time spent up to now is 120.5 secs Computing kpt #: 340 total cpu time spent up to now is 120.7 secs Computing kpt #: 341 total cpu time spent up to now is 120.9 secs Computing kpt #: 342 total cpu time spent up to now is 121.1 secs Computing kpt #: 343 total cpu time spent up to now is 121.3 secs Computing kpt #: 344 total cpu time spent up to now is 121.4 secs Computing kpt #: 345 total cpu time spent up to now is 121.6 secs Computing kpt #: 346 total cpu time spent up to now is 121.8 secs Computing kpt #: 347 total cpu time spent up to now is 122.0 secs Computing kpt #: 348 total cpu time spent up to now is 122.1 secs Computing kpt #: 349 total cpu time spent up to now is 122.3 secs Computing kpt #: 350 total cpu time spent up to now is 122.5 secs Computing kpt #: 351 total cpu time spent up to now is 122.6 secs Computing kpt #: 352 total cpu time spent up to now is 122.8 secs Computing kpt #: 353 total cpu time spent up to now is 123.0 secs Computing kpt #: 354 total cpu time spent up to now is 123.2 secs Computing kpt #: 355 total cpu time spent up to now is 123.5 secs Computing kpt #: 356 total cpu time spent up to now is 123.7 secs Computing kpt #: 357 total cpu time spent up to now is 123.9 secs Computing kpt #: 358 total cpu time spent up to now is 124.1 secs Computing kpt #: 359 total cpu time spent up to now is 124.2 secs Computing kpt #: 360 total cpu time spent up to now is 124.5 secs Computing kpt #: 361 total cpu time spent up to now is 125.1 secs Computing kpt #: 362 total cpu time spent up to now is 125.4 secs Computing kpt #: 363 total cpu time spent up to now is 125.6 secs Computing kpt #: 364 total cpu time spent up to now is 125.8 secs Computing kpt #: 365 total cpu time spent up to now is 126.0 secs Computing kpt #: 366 total cpu time spent up to now is 126.5 secs Computing kpt #: 367 total cpu time spent up to now is 126.7 secs Computing kpt #: 368 total cpu time spent up to now is 127.0 secs Computing kpt #: 369 total cpu time spent up to now is 127.3 secs Computing kpt #: 370 total cpu time spent up to now is 127.6 secs Computing kpt #: 371 total cpu time spent up to now is 128.0 secs Computing kpt #: 372 total cpu time spent up to now is 128.3 secs Computing kpt #: 373 total cpu time spent up to now is 128.5 secs Computing kpt #: 374 total cpu time spent up to now is 128.7 secs Computing kpt #: 375 total cpu time spent up to now is 128.8 secs Computing kpt #: 376 total cpu time spent up to now is 129.0 secs Computing kpt #: 377 total cpu time spent up to now is 129.2 secs Computing kpt #: 378 total cpu time spent up to now is 129.3 secs Computing kpt #: 379 total cpu time spent up to now is 129.5 secs Computing kpt #: 380 total cpu time spent up to now is 129.7 secs Computing kpt #: 381 total cpu time spent up to now is 129.8 secs Computing kpt #: 382 total cpu time spent up to now is 130.0 secs Computing kpt #: 383 total cpu time spent up to now is 130.2 secs Computing kpt #: 384 total cpu time spent up to now is 130.3 secs Computing kpt #: 385 total cpu time spent up to now is 130.5 secs Computing kpt #: 386 total cpu time spent up to now is 130.7 secs Computing kpt #: 387 total cpu time spent up to now is 130.9 secs Computing kpt #: 388 total cpu time spent up to now is 131.2 secs Computing kpt #: 389 total cpu time spent up to now is 131.5 secs Computing kpt #: 390 total cpu time spent up to now is 131.6 secs Computing kpt #: 391 total cpu time spent up to now is 131.9 secs Computing kpt #: 392 total cpu time spent up to now is 132.1 secs Computing kpt #: 393 total cpu time spent up to now is 132.5 secs Computing kpt #: 394 total cpu time spent up to now is 132.6 secs Computing kpt #: 395 total cpu time spent up to now is 132.8 secs Computing kpt #: 396 total cpu time spent up to now is 133.0 secs Computing kpt #: 397 total cpu time spent up to now is 133.2 secs Computing kpt #: 398 total cpu time spent up to now is 133.5 secs Computing kpt #: 399 total cpu time spent up to now is 133.7 secs Computing kpt #: 400 total cpu time spent up to now is 134.0 secs Computing kpt #: 401 total cpu time spent up to now is 134.5 secs Computing kpt #: 402 total cpu time spent up to now is 134.7 secs Computing kpt #: 403 total cpu time spent up to now is 134.9 secs Computing kpt #: 404 total cpu time spent up to now is 135.2 secs Computing kpt #: 405 total cpu time spent up to now is 135.4 secs Computing kpt #: 406 total cpu time spent up to now is 135.6 secs Computing kpt #: 407 total cpu time spent up to now is 135.8 secs Computing kpt #: 408 total cpu time spent up to now is 136.2 secs Computing kpt #: 409 total cpu time spent up to now is 136.4 secs Computing kpt #: 410 total cpu time spent up to now is 136.6 secs Computing kpt #: 411 total cpu time spent up to now is 136.7 secs Computing kpt #: 412 total cpu time spent up to now is 136.9 secs Computing kpt #: 413 total cpu time spent up to now is 137.1 secs Computing kpt #: 414 total cpu time spent up to now is 137.3 secs Computing kpt #: 415 total cpu time spent up to now is 137.4 secs Computing kpt #: 416 total cpu time spent up to now is 137.6 secs Computing kpt #: 417 total cpu time spent up to now is 137.8 secs Computing kpt #: 418 total cpu time spent up to now is 138.0 secs Computing kpt #: 419 total cpu time spent up to now is 138.2 secs Computing kpt #: 420 total cpu time spent up to now is 138.3 secs Computing kpt #: 421 total cpu time spent up to now is 138.5 secs Computing kpt #: 422 total cpu time spent up to now is 138.7 secs Computing kpt #: 423 total cpu time spent up to now is 138.9 secs Computing kpt #: 424 total cpu time spent up to now is 139.0 secs Computing kpt #: 425 total cpu time spent up to now is 139.3 secs Computing kpt #: 426 total cpu time spent up to now is 139.6 secs Computing kpt #: 427 total cpu time spent up to now is 139.9 secs Computing kpt #: 428 total cpu time spent up to now is 140.1 secs Computing kpt #: 429 total cpu time spent up to now is 140.3 secs Computing kpt #: 430 total cpu time spent up to now is 140.7 secs Computing kpt #: 431 total cpu time spent up to now is 141.0 secs Computing kpt #: 432 total cpu time spent up to now is 141.3 secs Computing kpt #: 433 total cpu time spent up to now is 141.5 secs Computing kpt #: 434 total cpu time spent up to now is 141.7 secs Computing kpt #: 435 total cpu time spent up to now is 142.0 secs Computing kpt #: 436 total cpu time spent up to now is 142.3 secs Computing kpt #: 437 total cpu time spent up to now is 142.5 secs Computing kpt #: 438 total cpu time spent up to now is 142.7 secs Computing kpt #: 439 total cpu time spent up to now is 142.9 secs Computing kpt #: 440 total cpu time spent up to now is 143.2 secs Computing kpt #: 441 total cpu time spent up to now is 143.4 secs Computing kpt #: 442 total cpu time spent up to now is 143.9 secs Computing kpt #: 443 total cpu time spent up to now is 144.1 secs Computing kpt #: 444 total cpu time spent up to now is 144.4 secs Computing kpt #: 445 total cpu time spent up to now is 144.6 secs Computing kpt #: 446 total cpu time spent up to now is 144.8 secs Computing kpt #: 447 total cpu time spent up to now is 145.0 secs Computing kpt #: 448 total cpu time spent up to now is 145.1 secs Computing kpt #: 449 total cpu time spent up to now is 145.3 secs Computing kpt #: 450 total cpu time spent up to now is 145.5 secs Computing kpt #: 451 total cpu time spent up to now is 145.6 secs Computing kpt #: 452 total cpu time spent up to now is 145.8 secs Computing kpt #: 453 total cpu time spent up to now is 146.0 secs Computing kpt #: 454 total cpu time spent up to now is 146.2 secs Computing kpt #: 455 total cpu time spent up to now is 146.4 secs Computing kpt #: 456 total cpu time spent up to now is 146.5 secs Computing kpt #: 457 total cpu time spent up to now is 146.7 secs Computing kpt #: 458 total cpu time spent up to now is 146.9 secs Computing kpt #: 459 total cpu time spent up to now is 147.1 secs Computing kpt #: 460 total cpu time spent up to now is 147.2 secs Computing kpt #: 461 total cpu time spent up to now is 147.6 secs Computing kpt #: 462 total cpu time spent up to now is 147.8 secs Computing kpt #: 463 total cpu time spent up to now is 148.0 secs Computing kpt #: 464 total cpu time spent up to now is 148.2 secs Computing kpt #: 465 total cpu time spent up to now is 148.5 secs Computing kpt #: 466 total cpu time spent up to now is 148.6 secs Computing kpt #: 467 total cpu time spent up to now is 148.9 secs Computing kpt #: 468 total cpu time spent up to now is 149.2 secs Computing kpt #: 469 total cpu time spent up to now is 149.5 secs Computing kpt #: 470 total cpu time spent up to now is 149.9 secs Computing kpt #: 471 total cpu time spent up to now is 150.1 secs Computing kpt #: 472 total cpu time spent up to now is 150.5 secs Computing kpt #: 473 total cpu time spent up to now is 150.7 secs Computing kpt #: 474 total cpu time spent up to now is 151.0 secs Computing kpt #: 475 total cpu time spent up to now is 151.3 secs Computing kpt #: 476 total cpu time spent up to now is 151.5 secs Computing kpt #: 477 total cpu time spent up to now is 151.9 secs Computing kpt #: 478 total cpu time spent up to now is 152.2 secs Computing kpt #: 479 total cpu time spent up to now is 152.6 secs Computing kpt #: 480 total cpu time spent up to now is 152.8 secs Computing kpt #: 481 total cpu time spent up to now is 153.2 secs Computing kpt #: 482 total cpu time spent up to now is 153.4 secs Computing kpt #: 483 total cpu time spent up to now is 153.6 secs Computing kpt #: 484 total cpu time spent up to now is 153.7 secs Computing kpt #: 485 total cpu time spent up to now is 153.9 secs Computing kpt #: 486 total cpu time spent up to now is 154.1 secs Computing kpt #: 487 total cpu time spent up to now is 154.3 secs Computing kpt #: 488 total cpu time spent up to now is 154.5 secs Computing kpt #: 489 total cpu time spent up to now is 154.7 secs Computing kpt #: 490 total cpu time spent up to now is 154.9 secs ethr = 5.56E-11, avg # of iterations = 11.9 total cpu time spent up to now is 155.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -15.9279 -15.9279 2.6309 2.6309 2.6651 2.6651 2.6651 2.6651 9.3942 9.3942 9.6043 9.6043 9.6043 9.6043 11.3711 11.3711 11.3711 11.3711 11.4964 11.4964 26.2134 26.2134 26.4833 26.4833 26.4833 26.4833 k = 0.0068-0.0039 0.0055 ( 749 PWs) bands (ev): -15.9277 -15.9277 2.6305 2.6305 2.6643 2.6643 2.6652 2.6652 9.3971 9.3971 9.6024 9.6024 9.6059 9.6059 11.3689 11.3689 11.3725 11.3725 11.4960 11.4960 26.2109 26.2109 26.4796 26.4796 26.4814 26.4814 k = 0.0135-0.0078 0.0110 ( 749 PWs) bands (ev): -15.9270 -15.9270 2.6292 2.6292 2.6619 2.6619 2.6654 2.6654 9.4057 9.4057 9.6000 9.6000 9.6074 9.6074 11.3660 11.3660 11.3732 11.3732 11.4950 11.4950 26.2031 26.2031 26.4687 26.4687 26.4758 26.4758 k = 0.0203-0.0117 0.0166 ( 749 PWs) bands (ev): -15.9257 -15.9257 2.6264 2.6264 2.6586 2.6586 2.6657 2.6657 9.4200 9.4200 9.5970 9.5970 9.6089 9.6089 11.3624 11.3624 11.3732 11.3732 11.4932 11.4932 26.1901 26.1901 26.4509 26.4509 26.4665 26.4665 k = 0.0270-0.0156 0.0221 ( 753 PWs) bands (ev): -15.9240 -15.9240 2.6215 2.6215 2.6551 2.6551 2.6661 2.6661 9.4399 9.4399 9.5930 9.5930 9.6105 9.6105 11.3580 11.3580 11.3725 11.3725 11.4907 11.4907 26.1716 26.1716 26.4267 26.4267 26.4535 26.4535 k = 0.0338-0.0195 0.0276 ( 761 PWs) bands (ev): -15.9218 -15.9218 2.6134 2.6134 2.6522 2.6522 2.6665 2.6665 9.4653 9.4653 9.5885 9.5885 9.6124 9.6124 11.3528 11.3528 11.3709 11.3709 11.4874 11.4874 26.1473 26.1473 26.3970 26.3970 26.4372 26.4372 k = 0.0405-0.0234 0.0331 ( 769 PWs) bands (ev): -15.9191 -15.9191 2.6020 2.6020 2.6504 2.6504 2.6670 2.6670 9.4961 9.4961 9.5832 9.5832 9.6145 9.6145 11.3469 11.3469 11.3686 11.3686 11.4833 11.4833 26.1169 26.1169 26.3628 26.3628 26.4176 26.4176 k = 0.0473-0.0273 0.0386 ( 769 PWs) bands (ev): -15.9159 -15.9159 2.5878 2.5878 2.6496 2.6496 2.6678 2.6678 9.5320 9.5320 9.5772 9.5772 9.6173 9.6173 11.3403 11.3403 11.3657 11.3657 11.4787 11.4787 26.0801 26.0801 26.3253 26.3253 26.3950 26.3950 k = 0.0541-0.0312 0.0441 ( 769 PWs) bands (ev): -15.9122 -15.9122 2.5708 2.5708 2.6495 2.6495 2.6687 2.6687 9.5669 9.5669 9.5757 9.5757 9.6212 9.6212 11.3331 11.3331 11.3620 11.3620 11.4733 11.4733 26.0364 26.0364 26.2857 26.2857 26.3697 26.3697 k = 0.0608-0.0351 0.0497 ( 777 PWs) bands (ev): -15.9081 -15.9081 2.5514 2.5514 2.6497 2.6497 2.6697 2.6697 9.5614 9.5614 9.6103 9.6103 9.6337 9.6337 11.3250 11.3250 11.3575 11.3575 11.4671 11.4671 25.9857 25.9857 26.2449 26.2449 26.3419 26.3419 k = 0.0676-0.0390 0.0552 ( 785 PWs) bands (ev): -15.9035 -15.9035 2.5298 2.5298 2.6503 2.6503 2.6707 2.6707 9.5527 9.5527 9.6215 9.6215 9.6775 9.6775 11.3162 11.3162 11.3522 11.3522 11.4602 11.4602 25.9281 25.9281 26.2037 26.2037 26.3118 26.3118 k = 0.0743-0.0429 0.0607 ( 781 PWs) bands (ev): -15.8984 -15.8984 2.5064 2.5064 2.6512 2.6512 2.6720 2.6720 9.5434 9.5434 9.6261 9.6261 9.7330 9.7330 11.3068 11.3068 11.3463 11.3463 11.4527 11.4527 25.8641 25.8641 26.1626 26.1626 26.2799 26.2799 k = 0.0811-0.0468 0.0662 ( 781 PWs) bands (ev): -15.8929 -15.8929 2.4813 2.4813 2.6524 2.6524 2.6734 2.6734 9.5331 9.5331 9.6302 9.6302 9.7941 9.7941 11.2966 11.2966 11.3397 11.3397 11.4445 11.4445 25.7943 25.7943 26.1218 26.1218 26.2462 26.2462 k = 0.0878-0.0507 0.0717 ( 781 PWs) bands (ev): -15.8870 -15.8870 2.4546 2.4546 2.6538 2.6538 2.6749 2.6749 9.5220 9.5220 9.6344 9.6344 9.8599 9.8599 11.2858 11.2858 11.3323 11.3323 11.4355 11.4355 25.7195 25.7195 26.0812 26.0812 26.2112 26.2112 k = 0.0946-0.0546 0.0772 ( 781 PWs) bands (ev): -15.8806 -15.8806 2.4265 2.4265 2.6553 2.6553 2.6765 2.6765 9.5101 9.5101 9.6388 9.6388 9.9301 9.9301 11.2742 11.2742 11.3242 11.3242 11.4258 11.4258 25.6406 25.6406 26.0410 26.0410 26.1751 26.1751 k = 0.1014-0.0585 0.0828 ( 781 PWs) bands (ev): -15.8738 -15.8738 2.3972 2.3972 2.6570 2.6570 2.6782 2.6782 9.4975 9.4975 9.6434 9.6434 10.0046 10.0046 11.2619 11.2619 11.3153 11.3153 11.4154 11.4154 25.5583 25.5583 26.0010 26.0010 26.1382 26.1382 k = 0.1081-0.0624 0.0883 ( 781 PWs) bands (ev): -15.8666 -15.8666 2.3667 2.3667 2.6588 2.6588 2.6801 2.6801 9.4841 9.4841 9.6482 9.6482 10.0831 10.0831 11.2489 11.2489 11.3058 11.3058 11.4043 11.4043 25.4732 25.4732 25.9613 25.9613 26.1006 26.1006 k = 0.1149-0.0663 0.0938 ( 789 PWs) bands (ev): -15.8591 -15.8591 2.3353 2.3353 2.6607 2.6607 2.6821 2.6821 9.4701 9.4701 9.6530 9.6530 10.1653 10.1653 11.2352 11.2352 11.2954 11.2954 11.3923 11.3923 25.3860 25.3860 25.9219 25.9219 26.0627 26.0627 k = 0.1216-0.0702 0.0993 ( 789 PWs) bands (ev): -15.8511 -15.8511 2.3032 2.3032 2.6629 2.6629 2.6842 2.6842 9.4555 9.4555 9.6583 9.6583 10.2512 10.2512 11.2209 11.2209 11.2844 11.2844 11.3797 11.3797 25.2973 25.2973 25.8830 25.8830 26.0247 26.0247 k = 0.1284-0.0741 0.1048 ( 789 PWs) bands (ev): -15.8428 -15.8428 2.2703 2.2703 2.6651 2.6651 2.6864 2.6864 9.4402 9.4402 9.6638 9.6638 10.3403 10.3403 11.2060 11.2060 11.2728 11.2728 11.3664 11.3664 25.2074 25.2074 25.8446 25.8446 25.9868 25.9868 k = 0.1351-0.0780 0.1103 ( 785 PWs) bands (ev): -15.8341 -15.8341 2.2369 2.2369 2.6675 2.6675 2.6888 2.6888 9.4244 9.4244 9.6698 9.6698 10.4325 10.4325 11.1905 11.1905 11.2606 11.2606 11.3524 11.3524 25.1168 25.1168 25.8069 25.8069 25.9492 25.9492 k = 0.1419-0.0819 0.1159 ( 785 PWs) bands (ev): -15.8251 -15.8251 2.2032 2.2032 2.6701 2.6701 2.6913 2.6913 9.4080 9.4080 9.6757 9.6757 10.5274 10.5274 11.1745 11.1745 11.2479 11.2479 11.3377 11.3377 25.0258 25.0258 25.7699 25.7699 25.9121 25.9121 k = 0.1486-0.0858 0.1214 ( 785 PWs) bands (ev): -15.8158 -15.8158 2.1691 2.1691 2.6727 2.6727 2.6939 2.6939 9.3912 9.3912 9.6819 9.6819 10.6245 10.6245 11.1583 11.1583 11.2347 11.2347 11.3224 11.3224 24.9348 24.9348 25.7337 25.7337 25.8755 25.8755 k = 0.1554-0.0897 0.1269 ( 785 PWs) bands (ev): -15.8063 -15.8063 2.1349 2.1349 2.6755 2.6755 2.6966 2.6966 9.3738 9.3738 9.6882 9.6882 10.7229 10.7229 11.1420 11.1420 11.2215 11.2215 11.3066 11.3066 24.8438 24.8438 25.6984 25.6984 25.8397 25.8397 k = 0.1622-0.0936 0.1324 ( 785 PWs) bands (ev): -15.7964 -15.7964 2.1007 2.1007 2.6784 2.6784 2.6995 2.6995 9.3561 9.3561 9.6947 9.6947 10.8209 10.8209 11.1266 11.1266 11.2089 11.2089 11.2903 11.2903 24.7533 24.7533 25.6642 25.6642 25.8048 25.8048 k = 0.1689-0.0975 0.1379 ( 785 PWs) bands (ev): -15.7862 -15.7862 2.0665 2.0665 2.6815 2.6815 2.7024 2.7024 9.3380 9.3380 9.7014 9.7014 10.9136 10.9136 11.1142 11.1142 11.1987 11.1987 11.2743 11.2743 24.6632 24.6632 25.6311 25.6311 25.7710 25.7710 k = 0.1757-0.1014 0.1434 ( 785 PWs) bands (ev): -15.7759 -15.7759 2.0324 2.0324 2.6846 2.6846 2.7055 2.7055 9.3195 9.3195 9.7083 9.7083 10.9864 10.9864 11.1107 11.1107 11.1971 11.1971 11.2611 11.2611 24.5739 24.5739 25.5992 25.5992 25.7382 25.7382 k = 0.1824-0.1053 0.1490 ( 785 PWs) bands (ev): -15.7653 -15.7653 1.9986 1.9986 2.6879 2.6879 2.7087 2.7087 9.3008 9.3008 9.7153 9.7153 11.0143 11.0143 11.1159 11.1159 11.2096 11.2096 11.2703 11.2703 24.4853 24.4853 25.5686 25.5686 25.7066 25.7066 k = 0.1892-0.1092 0.1545 ( 785 PWs) bands (ev): -15.7545 -15.7545 1.9651 1.9651 2.6913 2.6913 2.7120 2.7120 9.2819 9.2819 9.7225 9.7225 11.0092 11.0092 11.1109 11.1109 11.2033 11.2033 11.3416 11.3416 24.3975 24.3975 25.5392 25.5392 25.6764 25.6764 k = 0.1959-0.1131 0.1600 ( 785 PWs) bands (ev): -15.7435 -15.7435 1.9321 1.9321 2.6947 2.6947 2.7154 2.7154 9.2627 9.2627 9.7297 9.7297 10.9931 10.9931 11.0977 11.0977 11.1864 11.1864 11.4429 11.4429 24.3106 24.3106 25.5112 25.5112 25.6474 25.6474 k = 0.2027-0.1170 0.1655 ( 785 PWs) bands (ev): -15.7323 -15.7323 1.8995 1.8995 2.6983 2.6983 2.7189 2.7189 9.2434 9.2434 9.7371 9.7371 10.9729 10.9729 11.0811 11.0811 11.1668 11.1668 11.5543 11.5543 24.2245 24.2245 25.4845 25.4845 25.6198 25.6198 k = 0.2095-0.1209 0.1710 ( 785 PWs) bands (ev): -15.7210 -15.7210 1.8675 1.8675 2.7020 2.7020 2.7225 2.7225 9.2241 9.2241 9.7446 9.7446 10.9505 10.9505 11.0627 11.0627 11.1461 11.1461 11.6706 11.6706 24.1392 24.1392 25.4590 25.4590 25.5936 25.5936 k = 0.2162-0.1248 0.1765 ( 785 PWs) bands (ev): -15.7096 -15.7096 1.8360 1.8360 2.7058 2.7058 2.7262 2.7262 9.2046 9.2046 9.7521 9.7521 10.9267 10.9267 11.0432 11.0432 11.1246 11.1246 11.7902 11.7902 24.0545 24.0545 25.4343 25.4343 25.5688 25.5688 k = 0.2230-0.1287 0.1821 ( 785 PWs) bands (ev): -15.6981 -15.6981 1.8053 1.8053 2.7097 2.7097 2.7299 2.7299 9.1852 9.1852 9.7597 9.7597 10.9018 10.9018 11.0228 11.0228 11.1026 11.1026 11.9122 11.9122 23.9703 23.9703 25.4082 25.4082 25.5428 25.5428 k = 0.2297-0.1326 0.1876 ( 785 PWs) bands (ev): -15.6865 -15.6865 1.7752 1.7752 2.7137 2.7137 2.7338 2.7338 9.1659 9.1659 9.7674 9.7674 10.8758 10.8758 11.0018 11.0018 11.0801 11.0801 12.0361 12.0361 23.8863 23.8863 25.3422 25.3422 25.4167 25.4167 k = 0.2365-0.1365 0.1931 ( 785 PWs) bands (ev): -15.6748 -15.6748 1.7460 1.7460 2.7177 2.7177 2.7378 2.7378 9.1466 9.1466 9.7751 9.7751 10.8489 10.8489 10.9802 10.9802 11.0573 11.0573 12.1615 12.1615 23.8022 23.8022 25.1702 25.1702 25.3820 25.3820 k = 0.2432-0.1404 0.1986 ( 785 PWs) bands (ev): -15.6631 -15.6631 1.7175 1.7175 2.7218 2.7218 2.7418 2.7418 9.1275 9.1275 9.7828 9.7828 10.8211 10.8211 10.9580 10.9580 11.0342 11.0342 12.2884 12.2884 23.7175 23.7175 24.9908 24.9908 25.3622 25.3622 k = 0.2500-0.1443 0.2041 ( 769 PWs) bands (ev): -15.6513 -15.6513 1.6899 1.6899 2.7261 2.7261 2.7460 2.7460 9.1089 9.1089 9.7906 9.7906 10.7926 10.7926 10.9359 10.9359 11.0114 11.0114 12.4164 12.4164 23.6317 23.6317 24.8166 24.8166 25.3454 25.3454 k = 0.2568-0.1482 0.2096 ( 793 PWs) bands (ev): -15.6397 -15.6397 1.6630 1.6630 2.7303 2.7303 2.7500 2.7500 9.0897 9.0897 9.7982 9.7982 10.7626 10.7626 10.9127 10.9127 10.9878 10.9878 12.5454 12.5454 23.5439 23.5439 24.6492 24.6492 25.3304 25.3304 k = 0.2635-0.1521 0.2152 ( 801 PWs) bands (ev): -15.6280 -15.6280 1.6371 1.6371 2.7345 2.7345 2.7541 2.7541 9.0713 9.0713 9.8054 9.8054 10.7321 10.7321 10.8896 10.8896 10.9644 10.9644 12.6752 12.6752 23.4536 23.4536 24.4900 24.4900 25.3170 25.3170 k = 0.2703-0.1560 0.2207 ( 801 PWs) bands (ev): -15.6164 -15.6164 1.6121 1.6121 2.7388 2.7388 2.7584 2.7584 9.0533 9.0533 9.8130 9.8130 10.7009 10.7009 10.8662 10.8662 10.9410 10.9410 12.8058 12.8058 23.3598 23.3598 24.3398 24.3398 25.3051 25.3051 k = 0.2770-0.1599 0.2262 ( 801 PWs) bands (ev): -15.6048 -15.6048 1.5881 1.5881 2.7432 2.7432 2.7627 2.7627 9.0358 9.0358 9.8206 9.8206 10.6688 10.6688 10.8428 10.8428 10.9178 10.9178 12.9370 12.9370 23.2616 23.2616 24.1995 24.1995 25.2946 25.2946 k = 0.2838-0.1638 0.2317 ( 801 PWs) bands (ev): -15.5933 -15.5933 1.5650 1.5650 2.7476 2.7476 2.7670 2.7670 9.0187 9.0187 9.8281 9.8281 10.6360 10.6360 10.8193 10.8193 10.8946 10.8946 13.0685 13.0685 23.1583 23.1583 24.0699 24.0699 25.2855 25.2855 k = 0.2905-0.1677 0.2372 ( 801 PWs) bands (ev): -15.5819 -15.5819 1.5429 1.5429 2.7521 2.7521 2.7713 2.7713 9.0021 9.0021 9.8355 9.8355 10.6024 10.6024 10.7958 10.7958 10.8717 10.8717 13.2004 13.2004 23.0494 23.0494 23.9515 23.9515 25.2776 25.2776 k = 0.2973-0.1716 0.2427 ( 801 PWs) bands (ev): -15.5707 -15.5707 1.5217 1.5217 2.7565 2.7565 2.7757 2.7757 8.9860 8.9860 9.8428 9.8428 10.5682 10.5682 10.7724 10.7724 10.8489 10.8489 13.3324 13.3324 22.9350 22.9350 23.8441 23.8441 25.2710 25.2710 k = 0.3041-0.1755 0.2483 ( 801 PWs) bands (ev): -15.5596 -15.5596 1.5014 1.5014 2.7609 2.7609 2.7800 2.7800 8.9705 8.9705 9.8500 9.8500 10.5333 10.5333 10.7491 10.7491 10.8264 10.8264 13.4645 13.4645 22.8154 22.8154 23.7473 23.7473 25.2655 25.2655 k = 0.3108-0.1794 0.2538 ( 797 PWs) bands (ev): -15.5486 -15.5486 1.4822 1.4822 2.7654 2.7654 2.7844 2.7844 8.9558 8.9558 9.8571 9.8571 10.4980 10.4980 10.7261 10.7261 10.8043 10.8043 13.5964 13.5964 22.6915 22.6915 23.6604 23.6604 25.2611 25.2611 k = 0.3176-0.1833 0.2593 ( 797 PWs) bands (ev): -15.5379 -15.5379 1.4638 1.4638 2.7698 2.7698 2.7887 2.7887 8.9416 8.9416 9.8639 9.8639 10.4622 10.4622 10.7033 10.7033 10.7825 10.7825 13.7280 13.7280 22.5642 22.5642 23.5823 23.5823 25.2577 25.2577 k = 0.3243-0.1872 0.2648 ( 797 PWs) bands (ev): -15.5273 -15.5273 1.4464 1.4464 2.7742 2.7742 2.7930 2.7930 8.9281 8.9281 9.8706 9.8706 10.4260 10.4260 10.6808 10.6808 10.7610 10.7610 13.8592 13.8592 22.4345 22.4345 23.5119 23.5119 25.2553 25.2553 k = 0.3311-0.1911 0.2703 ( 797 PWs) bands (ev): -15.5170 -15.5170 1.4299 1.4299 2.7785 2.7785 2.7972 2.7972 8.9154 8.9154 9.8771 9.8771 10.3896 10.3896 10.6587 10.6587 10.7400 10.7400 13.9898 13.9898 22.3036 22.3036 23.4482 23.4482 25.2538 25.2538 k = 0.3378-0.1951 0.2758 ( 797 PWs) bands (ev): -15.5069 -15.5069 1.4143 1.4143 2.7828 2.7828 2.8014 2.8014 8.9034 8.9034 9.8833 9.8833 10.3530 10.3530 10.6371 10.6371 10.7194 10.7194 14.1197 14.1197 22.1721 22.1721 23.3903 23.3903 25.2531 25.2531 k = 0.3446-0.1990 0.2814 ( 785 PWs) bands (ev): -15.4971 -15.4971 1.3997 1.3997 2.7871 2.7871 2.8057 2.8057 8.8922 8.8922 9.8894 9.8894 10.3165 10.3165 10.6162 10.6162 10.6997 10.6997 14.2487 14.2487 22.0410 22.0410 23.3376 23.3376 25.2532 25.2532 k = 0.3514-0.2029 0.2869 ( 785 PWs) bands (ev): -15.4876 -15.4876 1.3859 1.3859 2.7912 2.7912 2.8097 2.8097 8.8818 8.8818 9.8950 9.8950 10.2801 10.2801 10.5955 10.5955 10.6801 10.6801 14.3765 14.3765 21.9106 21.9106 23.2892 23.2892 25.2540 25.2540 k = 0.3581-0.2068 0.2924 ( 785 PWs) bands (ev): -15.4783 -15.4783 1.3729 1.3729 2.7953 2.7953 2.8137 2.8137 8.8722 8.8722 9.9003 9.9003 10.2439 10.2439 10.5755 10.5755 10.6611 10.6611 14.5030 14.5030 21.7817 21.7817 23.2449 23.2449 25.2553 25.2553 k = 0.3649-0.2107 0.2979 ( 785 PWs) bands (ev): -15.4694 -15.4694 1.3608 1.3608 2.7993 2.7993 2.8176 2.8176 8.8634 8.8634 9.9051 9.9051 10.2082 10.2082 10.5560 10.5560 10.6428 10.6428 14.6280 14.6280 21.6545 21.6545 23.2040 23.2040 25.2572 25.2572 k = 0.3716-0.2146 0.3034 ( 785 PWs) bands (ev): -15.4608 -15.4608 1.3495 1.3495 2.8031 2.8031 2.8214 2.8214 8.8555 8.8555 9.9094 9.9094 10.1731 10.1731 10.5373 10.5373 10.6251 10.6251 14.7513 14.7513 21.5295 21.5295 23.1664 23.1664 25.2595 25.2595 k = 0.3784-0.2185 0.3089 ( 785 PWs) bands (ev): -15.4526 -15.4526 1.3390 1.3390 2.8069 2.8069 2.8251 2.8251 8.8484 8.8484 9.9130 9.9130 10.1390 10.1390 10.5192 10.5192 10.6080 10.6080 14.8725 14.8725 21.4070 21.4070 23.1317 23.1317 25.2623 25.2623 k = 0.3851-0.2224 0.3145 ( 785 PWs) bands (ev): -15.4447 -15.4447 1.3292 1.3292 2.8105 2.8105 2.8286 2.8286 8.8421 8.8421 9.9157 9.9157 10.1063 10.1063 10.5018 10.5018 10.5917 10.5917 14.9914 14.9914 21.2873 21.2873 23.0998 23.0998 25.2653 25.2653 k = 0.3919-0.2263 0.3200 ( 785 PWs) bands (ev): -15.4372 -15.4372 1.3202 1.3202 2.8139 2.8139 2.8320 2.8320 8.8366 8.8366 9.9170 9.9170 10.0754 10.0754 10.4853 10.4853 10.5761 10.5761 15.1076 15.1076 21.1708 21.1708 23.0703 23.0703 25.2686 25.2686 k = 0.3986-0.2302 0.3255 ( 785 PWs) bands (ev): -15.4301 -15.4301 1.3118 1.3118 2.8173 2.8173 2.8353 2.8353 8.8320 8.8320 9.9164 9.9164 10.0472 10.0472 10.4696 10.4696 10.5614 10.5614 15.2210 15.2210 21.0577 21.0577 23.0432 23.0432 25.2721 25.2721 k = 0.4054-0.2341 0.3310 ( 785 PWs) bands (ev): -15.4234 -15.4234 1.3042 1.3042 2.8204 2.8204 2.8384 2.8384 8.8280 8.8280 9.9126 9.9126 10.0229 10.0229 10.4547 10.4547 10.5474 10.5474 15.3310 15.3310 20.9483 20.9483 23.0183 23.0183 25.2757 25.2757 k = 0.4122-0.2380 0.3365 ( 785 PWs) bands (ev): -15.4170 -15.4170 1.2972 1.2972 2.8234 2.8234 2.8413 2.8413 8.8248 8.8248 9.9043 9.9043 10.0041 10.0041 10.4407 10.4407 10.5343 10.5343 15.4373 15.4373 20.8430 20.8430 22.9956 22.9956 25.2794 25.2794 k = 0.4189-0.2419 0.3420 ( 785 PWs) bands (ev): -15.4112 -15.4112 1.2909 1.2909 2.8262 2.8262 2.8441 2.8441 8.8222 8.8222 9.8908 9.8908 9.9916 9.9916 10.4276 10.4276 10.5220 10.5220 15.5395 15.5395 20.7422 20.7422 22.9748 22.9748 25.2830 25.2830 k = 0.4257-0.2458 0.3476 ( 781 PWs) bands (ev): -15.4057 -15.4057 1.2852 1.2852 2.8288 2.8288 2.8467 2.8467 8.8204 8.8204 9.8733 9.8733 9.9846 9.9846 10.4155 10.4155 10.5107 10.5107 15.6369 15.6369 20.6464 20.6464 22.9560 22.9560 25.2866 25.2866 k = 0.4324-0.2497 0.3531 ( 781 PWs) bands (ev): -15.4007 -15.4007 1.2800 1.2800 2.8312 2.8312 2.8491 2.8491 8.8190 8.8190 9.8535 9.8535 9.9812 9.9812 10.4043 10.4043 10.5002 10.5002 15.7292 15.7292 20.5560 20.5560 22.9391 22.9391 25.2901 25.2901 k = 0.4392-0.2536 0.3586 ( 781 PWs) bands (ev): -15.3961 -15.3961 1.2755 1.2755 2.8334 2.8334 2.8512 2.8512 8.8181 8.8181 9.8331 9.8331 9.9798 9.9798 10.3940 10.3940 10.4907 10.4907 15.8156 15.8156 20.4714 20.4714 22.9239 22.9239 25.2934 25.2934 k = 0.4459-0.2575 0.3641 ( 781 PWs) bands (ev): -15.3920 -15.3920 1.2714 1.2714 2.8354 2.8354 2.8532 2.8532 8.8177 8.8177 9.8135 9.8135 9.9795 9.9795 10.3849 10.3849 10.4821 10.4821 15.8956 15.8956 20.3933 20.3933 22.9105 22.9105 25.2964 25.2964 k = 0.4527-0.2614 0.3696 ( 781 PWs) bands (ev): -15.3884 -15.3884 1.2679 1.2679 2.8372 2.8372 2.8550 2.8550 8.8175 8.8175 9.7951 9.7951 9.9798 9.9798 10.3767 10.3767 10.4745 10.4745 15.9685 15.9685 20.3223 20.3223 22.8988 22.8988 25.2993 25.2993 k = 0.4595-0.2653 0.3751 ( 785 PWs) bands (ev): -15.3852 -15.3852 1.2649 1.2649 2.8387 2.8387 2.8565 2.8565 8.8176 8.8176 9.7784 9.7784 9.9804 9.9804 10.3695 10.3695 10.4678 10.4678 16.0335 16.0335 20.2589 20.2589 22.8887 22.8887 25.3018 25.3018 k = 0.4662-0.2692 0.3807 ( 786 PWs) bands (ev): -15.3825 -15.3825 1.2623 1.2623 2.8400 2.8400 2.8578 2.8578 8.8178 8.8178 9.7639 9.7639 9.9810 9.9810 10.3634 10.3634 10.4622 10.4622 16.0901 16.0901 20.2039 20.2039 22.8802 22.8802 25.3040 25.3040 k = 0.4730-0.2731 0.3862 ( 786 PWs) bands (ev): -15.3803 -15.3803 1.2603 1.2603 2.8411 2.8411 2.8588 2.8588 8.8182 8.8182 9.7518 9.7518 9.9816 9.9816 10.3584 10.3584 10.4576 10.4576 16.1375 16.1375 20.1579 20.1579 22.8733 22.8733 25.3058 25.3058 k = 0.4797-0.2770 0.3917 ( 786 PWs) bands (ev): -15.3786 -15.3786 1.2587 1.2587 2.8420 2.8420 2.8597 2.8597 8.8185 8.8185 9.7421 9.7421 9.9822 9.9822 10.3546 10.3546 10.4540 10.4540 16.1751 16.1751 20.1213 20.1213 22.8680 22.8680 25.3073 25.3073 k = 0.4865-0.2809 0.3972 ( 786 PWs) bands (ev): -15.3774 -15.3774 1.2576 1.2576 2.8426 2.8426 2.8603 2.8603 8.8188 8.8188 9.7352 9.7352 9.9826 9.9826 10.3518 10.3518 10.4514 10.4514 16.2024 16.2024 20.0949 20.0949 22.8641 22.8641 25.3083 25.3083 k = 0.4932-0.2848 0.4027 ( 790 PWs) bands (ev): -15.3767 -15.3767 1.2569 1.2569 2.8430 2.8430 2.8606 2.8606 8.8190 8.8190 9.7308 9.7308 9.9828 9.9828 10.3500 10.3500 10.4498 10.4498 16.2190 16.2190 20.0788 20.0788 22.8619 22.8619 25.3089 25.3089 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -15.3764 -15.3764 1.2567 1.2567 2.8431 2.8431 2.8608 2.8608 8.8190 8.8190 9.7294 9.7294 9.9829 9.9829 10.3495 10.3495 10.4493 10.4493 16.2245 16.2245 20.0734 20.0734 22.8611 22.8611 25.3092 25.3092 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -15.3764 -15.3764 1.2567 1.2567 2.8431 2.8431 2.8608 2.8608 8.8190 8.8190 9.7294 9.7294 9.9829 9.9829 10.3495 10.3495 10.4493 10.4493 16.2245 16.2245 20.0734 20.0734 22.8611 22.8611 25.3092 25.3092 k = 0.5000-0.2809 0.4138 ( 788 PWs) bands (ev): -15.3766 -15.3762 1.2573 1.2573 2.8424 2.8429 2.8599 2.8608 8.8172 8.8207 9.7208 9.7365 9.9788 9.9866 10.3416 10.3574 10.4490 10.4515 16.2262 16.2273 20.0736 20.0738 22.8531 22.8552 25.3082 25.3138 k = 0.5000-0.2731 0.4193 ( 788 PWs) bands (ev): -15.3767 -15.3761 1.2593 1.2593 2.8407 2.8418 2.8583 2.8601 8.8151 8.8221 9.7106 9.7419 9.9741 9.9894 10.3344 10.3644 10.4501 10.4563 16.2325 16.2347 20.0744 20.0747 22.8314 22.8355 25.3033 25.3156 k = 0.5000-0.2653 0.4248 ( 784 PWs) bands (ev): -15.3769 -15.3759 1.2625 1.2626 2.8379 2.8397 2.8559 2.8589 8.8129 8.8233 9.6992 9.7458 9.9691 9.9911 10.3286 10.3700 10.4525 10.4642 16.2432 16.2466 20.0757 20.0761 22.7971 22.8031 25.2839 25.3025 k = 0.5000-0.2575 0.4303 ( 784 PWs) bands (ev): -15.3770 -15.3757 1.2671 1.2672 2.8336 2.8364 2.8531 2.8575 8.8105 8.8243 9.6863 9.7478 9.9641 9.9917 10.3243 10.3736 10.4557 10.4750 16.2585 16.2629 20.0775 20.0781 22.7517 22.7594 25.2489 25.2729 k = 0.5000-0.2497 0.4358 ( 784 PWs) bands (ev): -15.3771 -15.3755 1.2729 1.2731 2.8277 2.8316 2.8502 2.8559 8.8078 8.8250 9.6723 9.7480 9.9592 9.9911 10.3217 10.3752 10.4598 10.4886 16.2782 16.2836 20.0799 20.0806 22.6969 22.7062 25.2011 25.2301 k = 0.5000-0.2419 0.4413 ( 780 PWs) bands (ev): -15.3773 -15.3753 1.2801 1.2802 2.8202 2.8250 2.8474 2.8543 8.8052 8.8257 9.6572 9.7466 9.9545 9.9897 10.3206 10.3755 10.4648 10.5043 16.3023 16.3086 20.0828 20.0837 22.6345 22.6452 25.1424 25.1763 k = 0.5000-0.2341 0.4469 ( 780 PWs) bands (ev): -15.3774 -15.3751 1.2885 1.2886 2.8112 2.8167 2.8447 2.8527 8.8023 8.8260 9.6413 9.7434 9.9500 9.9874 10.3210 10.3745 10.4706 10.5216 16.3307 16.3379 20.0863 20.0873 22.5661 22.5780 25.0740 25.1126 k = 0.5000-0.2263 0.4524 ( 776 PWs) bands (ev): -15.3775 -15.3749 1.2981 1.2983 2.8006 2.8067 2.8420 2.8510 8.7994 8.8262 9.6246 9.7385 9.9457 9.9846 10.3224 10.3729 10.4773 10.5401 16.3633 16.3713 20.0905 20.0916 22.4932 22.5062 24.9967 25.0399 k = 0.5000-0.2185 0.4579 ( 774 PWs) bands (ev): -15.3776 -15.3747 1.3090 1.3092 2.7886 2.7952 2.8394 2.8492 8.7962 8.8261 9.6074 9.7319 9.9417 9.9816 10.3246 10.3706 10.4849 10.5593 16.4000 16.4087 20.0952 20.0964 22.4170 22.4310 24.9115 24.9591 k = 0.5000-0.2107 0.4634 ( 774 PWs) bands (ev): -15.3777 -15.3745 1.3211 1.3213 2.7751 2.7823 2.8366 2.8473 8.7929 8.8258 9.5897 9.7238 9.9380 9.9785 10.3272 10.3679 10.4934 10.5789 16.4406 16.4499 20.1005 20.1019 22.3386 22.3535 24.8190 24.8710 k = 0.5000-0.2029 0.4689 ( 774 PWs) bands (ev): -15.3778 -15.3743 1.3345 1.3347 2.7603 2.7680 2.8338 2.8453 8.7895 8.8252 9.5717 9.7143 9.9345 9.9754 10.3299 10.3649 10.5027 10.5987 16.4851 16.4949 20.1065 20.1079 22.2589 22.2746 24.7201 24.7762 k = 0.5000-0.1951 0.4745 ( 766 PWs) bands (ev): -15.3779 -15.3741 1.3490 1.3492 2.7442 2.7524 2.8310 2.8432 8.7863 8.8247 9.5538 9.7037 9.9313 9.9727 10.3327 10.3619 10.5131 10.6187 16.5332 16.5434 20.1132 20.1147 22.1786 22.1951 24.6154 24.6756 k = 0.5000-0.1872 0.4800 ( 766 PWs) bands (ev): -15.3780 -15.3739 1.3647 1.3648 2.7268 2.7354 2.8280 2.8410 8.7828 8.8238 9.5356 9.6919 9.9283 9.9702 10.3351 10.3586 10.5240 10.6384 16.5848 16.5953 20.1205 20.1221 22.0983 22.1155 24.5058 24.5699 k = 0.5000-0.1794 0.4855 ( 766 PWs) bands (ev): -15.3781 -15.3737 1.3815 1.3815 2.7082 2.7173 2.8249 2.8386 8.7793 8.8228 9.5176 9.6792 9.9255 9.9681 10.3372 10.3553 10.5357 10.6580 16.6397 16.6503 20.1286 20.1302 22.0184 22.0362 24.3920 24.4599 k = 0.5000-0.1716 0.4910 ( 766 PWs) bands (ev): -15.3782 -15.3735 1.3994 1.3994 2.6884 2.6980 2.8218 2.8362 8.7758 8.8216 9.4998 9.6660 9.9230 9.9664 10.3389 10.3519 10.5478 10.6772 16.6976 16.7082 20.1373 20.1389 21.9393 21.9578 24.2747 24.3461 k = 0.5000-0.1638 0.4965 ( 770 PWs) bands (ev): -15.3782 -15.3734 1.4182 1.4183 2.6674 2.6775 2.8186 2.8337 8.7723 8.8203 9.4822 9.6522 9.9203 9.9647 10.3402 10.3485 10.5602 10.6959 16.7584 16.7688 20.1468 20.1485 21.8614 21.8805 24.1544 24.2295 k = 0.5000-0.1560 0.5020 ( 770 PWs) bands (ev): -15.3783 -15.3732 1.4381 1.4383 2.6454 2.6560 2.8154 2.8312 8.7688 8.8189 9.4650 9.6382 9.9181 9.9636 10.3412 10.3452 10.5729 10.7142 16.8217 16.8318 20.1571 20.1587 21.7849 21.8046 24.0322 24.1106 k = 0.5000-0.1482 0.5076 ( 772 PWs) bands (ev): -15.3784 -15.3730 1.4590 1.4593 2.6224 2.6335 2.8122 2.8287 8.7653 8.8174 9.4482 9.6240 9.9161 9.9628 10.3417 10.3418 10.5857 10.7320 16.8872 16.8969 20.1682 20.1698 21.7100 21.7303 23.9085 23.9903 k = 0.5000-0.1404 0.5131 ( 772 PWs) bands (ev): -15.3785 -15.3728 1.4807 1.4812 2.5984 2.6100 2.8090 2.8261 8.7620 8.8158 9.4320 9.6099 9.9142 9.9622 10.3386 10.3420 10.5984 10.7491 16.9547 16.9637 20.1801 20.1816 21.6369 21.6577 23.7840 23.8692 k = 0.5000-0.1326 0.5186 ( 772 PWs) bands (ev): -15.3785 -15.3727 1.5034 1.5040 2.5735 2.5856 2.8059 2.8235 8.7587 8.8142 9.4164 9.5961 9.9124 9.9618 10.3356 10.3421 10.6110 10.7655 17.0237 17.0320 20.1929 20.1942 21.5656 21.5870 23.6595 23.7479 k = 0.5000-0.1248 0.5241 ( 776 PWs) bands (ev): -15.3786 -15.3725 1.5268 1.5277 2.5478 2.5604 2.8027 2.8210 8.7554 8.8125 9.4014 9.5824 9.9107 9.9616 10.3324 10.3418 10.6232 10.7812 17.0939 17.1013 20.2066 20.2077 21.4964 21.5184 23.5357 23.6273 k = 0.5000-0.1170 0.5296 ( 772 PWs) bands (ev): -15.3786 -15.3723 1.5511 1.5522 2.5213 2.5346 2.7997 2.8185 8.7524 8.8109 9.3871 9.5693 9.9092 9.9615 10.3296 10.3415 10.6352 10.7962 17.1648 17.1712 20.2211 20.2220 21.4293 21.4519 23.4132 23.5079 k = 0.5000-0.1092 0.5351 ( 772 PWs) bands (ev): -15.3786 -15.3722 1.5760 1.5775 2.4941 2.5080 2.7968 2.8161 8.7495 8.8092 9.3735 9.5566 9.9079 9.9615 10.3270 10.3411 10.6467 10.8104 17.2360 17.2412 20.2365 20.2371 21.3644 21.3877 23.2928 23.3906 k = 0.5000-0.1014 0.5407 ( 768 PWs) bands (ev): -15.3787 -15.3720 1.6015 1.6034 2.4663 2.4809 2.7940 2.8138 8.7467 8.8076 9.3608 9.5445 9.9068 9.9618 10.3245 10.3405 10.6577 10.8237 17.3069 17.3108 20.2529 20.2531 21.3017 21.3257 23.1752 23.2761 k = 0.5000-0.0936 0.5462 ( 768 PWs) bands (ev): -15.3787 -15.3719 1.6275 1.6299 2.4380 2.4533 2.7913 2.8115 8.7440 8.8060 9.3488 9.5330 9.9056 9.9620 10.3221 10.3399 10.6680 10.8361 17.3771 17.3794 20.2699 20.2702 21.2413 21.2661 23.0612 23.1651 k = 0.5000-0.0858 0.5517 ( 768 PWs) bands (ev): -15.3787 -15.3718 1.6540 1.6569 2.4093 2.4254 2.7887 2.8094 8.7415 8.8044 9.3377 9.5223 9.9045 9.9622 10.3199 10.3392 10.6778 10.8477 17.4457 17.4465 20.2875 20.2884 21.1833 21.2089 22.9515 23.0585 k = 0.5000-0.0780 0.5572 ( 768 PWs) bands (ev): -15.3788 -15.3717 1.6807 1.6842 2.3804 2.3973 2.7863 2.8074 8.7392 8.8029 9.3275 9.5123 9.9036 9.9624 10.3179 10.3385 10.6868 10.8583 17.5114 17.5123 20.3058 20.3074 21.1277 21.1544 22.8471 22.9570 k = 0.5000-0.0702 0.5627 ( 768 PWs) bands (ev): -15.3788 -15.3716 1.7075 1.7118 2.3512 2.3692 2.7841 2.8055 8.7371 8.8015 9.3182 9.5031 9.9027 9.9626 10.3160 10.3378 10.6951 10.8680 17.5734 17.5760 20.3247 20.3273 21.0747 21.1025 22.7487 22.8614 k = 0.5000-0.0624 0.5682 ( 768 PWs) bands (ev): -15.3788 -15.3715 1.7342 1.7395 2.3222 2.3413 2.7821 2.8038 8.7351 8.8002 9.3098 9.4948 9.9019 9.9629 10.3143 10.3371 10.7026 10.8767 17.6318 17.6361 20.3442 20.3478 21.0245 21.0535 22.6573 22.7727 k = 0.5000-0.0546 0.5738 ( 772 PWs) bands (ev): -15.3788 -15.3714 1.7605 1.7670 2.2934 2.3138 2.7803 2.8022 8.7333 8.7989 9.3023 9.4874 9.9012 9.9631 10.3128 10.3364 10.7092 10.8843 17.6858 17.6918 20.3639 20.3689 20.9771 21.0076 22.5737 22.6917 k = 0.5000-0.0468 0.5793 ( 768 PWs) bands (ev): -15.3788 -15.3713 1.7861 1.7940 2.2653 2.2873 2.7787 2.8009 8.7319 8.7979 9.2959 9.4810 9.9007 9.9634 10.3116 10.3359 10.7151 10.8911 17.7347 17.7423 20.3837 20.3903 20.9329 20.9652 22.4989 22.6193 k = 0.5000-0.0390 0.5848 ( 764 PWs) bands (ev): -15.3788 -15.3712 1.8105 1.8201 2.2383 2.2621 2.7774 2.7998 8.7307 8.7971 9.2904 9.4755 9.9002 9.9636 10.3106 10.3355 10.7201 10.8968 17.7776 17.7867 20.4030 20.4115 20.8924 20.9267 22.4338 22.5563 k = 0.5000-0.0312 0.5903 ( 772 PWs) bands (ev): -15.3789 -15.3712 1.8330 1.8446 2.2130 2.2389 2.7761 2.7988 8.7295 8.7962 9.2859 9.4709 9.8996 9.9635 10.3095 10.3349 10.7242 10.9015 17.8139 17.8243 20.4212 20.4320 20.8560 20.8927 22.3791 22.5034 k = 0.5000-0.0234 0.5958 ( 772 PWs) bands (ev): -15.3789 -15.3711 1.8526 1.8665 2.1905 2.2187 2.7753 2.7980 8.7286 8.7956 9.2823 9.4674 9.8993 9.9636 10.3088 10.3345 10.7274 10.9052 17.8429 17.8545 20.4374 20.4507 20.8250 20.8643 22.3357 22.4615 k = 0.5000-0.0156 0.6013 ( 772 PWs) bands (ev): -15.3789 -15.3711 1.8682 1.8844 2.1722 2.2027 2.7746 2.7975 8.7280 8.7951 9.2798 9.4648 9.8991 9.9637 10.3083 10.3343 10.7297 10.9078 17.8640 17.8764 20.4505 20.4662 20.8007 20.8425 22.3042 22.4311 k = 0.5000-0.0078 0.6069 ( 772 PWs) bands (ev): -15.3789 -15.3711 1.8784 1.8963 2.1600 2.1923 2.7742 2.7971 8.7277 8.7949 9.2783 9.4633 9.8989 9.9638 10.3080 10.3341 10.7311 10.9094 17.8769 17.8898 20.4590 20.4767 20.7849 20.8286 22.2851 22.4127 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -15.3789 -15.3711 1.8819 1.9006 2.1557 2.1887 2.7741 2.7970 8.7275 8.7948 9.2778 9.4628 9.8989 9.9638 10.3079 10.3340 10.7316 10.9099 17.8812 17.8943 20.4620 20.4805 20.7793 20.8239 22.2787 22.4065 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -15.3789 -15.3711 1.8819 1.9006 2.1557 2.1887 2.7741 2.7970 8.7275 8.7948 9.2778 9.4628 9.8989 9.9638 10.3079 10.3340 10.7316 10.9099 17.8812 17.8943 20.4620 20.4805 20.7793 20.8239 22.2787 22.4065 k = 0.4954 0.0080 0.6124 ( 772 PWs) bands (ev): -15.3789 -15.3711 1.8803 1.8986 2.1575 2.1902 2.7743 2.7972 8.7278 8.7952 9.2783 9.4632 9.8988 9.9638 10.3075 10.3348 10.7314 10.9096 17.8787 17.8917 20.4592 20.4773 20.7777 20.8224 22.2887 22.4162 k = 0.4907 0.0160 0.6124 ( 772 PWs) bands (ev): -15.3791 -15.3713 1.8756 1.8930 2.1627 2.1945 2.7748 2.7976 8.7284 8.7963 9.2797 9.4646 9.8985 9.9636 10.3065 10.3372 10.7308 10.9088 17.8716 17.8844 20.4516 20.4688 20.7709 20.8163 22.3194 22.4456 k = 0.4861 0.0241 0.6124 ( 772 PWs) bands (ev): -15.3793 -15.3716 1.8684 1.8845 2.1706 2.2012 2.7756 2.7984 8.7293 8.7981 9.2823 9.4671 9.8979 9.9632 10.3050 10.3408 10.7297 10.9074 17.8606 17.8730 20.4404 20.4566 20.7568 20.8038 22.3705 22.4948 k = 0.4815 0.0321 0.6124 ( 772 PWs) bands (ev): -15.3796 -15.3719 1.8590 1.8736 2.1805 2.2098 2.7768 2.7994 8.7304 8.8005 9.2860 9.4708 9.8969 9.9627 10.3034 10.3456 10.7281 10.9053 17.8463 17.8581 20.4266 20.4418 20.7353 20.7846 22.4409 22.5627 k = 0.4769 0.0401 0.6124 ( 771 PWs) bands (ev): -15.3800 -15.3723 1.8480 1.8611 2.1916 2.2196 2.7785 2.8009 8.7314 8.8034 9.2909 9.4757 9.8955 9.9621 10.3019 10.3512 10.7260 10.9026 17.8291 17.8403 20.4108 20.4252 20.7071 20.7590 22.5287 22.6476 k = 0.4722 0.0481 0.6124 ( 771 PWs) bands (ev): -15.3805 -15.3728 1.8359 1.8475 2.2035 2.2303 2.7805 2.8027 8.7323 8.8066 9.2972 9.4819 9.8934 9.9612 10.3005 10.3577 10.7234 10.8992 17.8095 17.8201 20.3934 20.4071 20.6737 20.7283 22.6317 22.7473 k = 0.4676 0.0561 0.6124 ( 771 PWs) bands (ev): -15.3810 -15.3734 1.8230 1.8333 2.2157 2.2416 2.7829 2.8048 8.7330 8.8101 9.3048 9.4895 9.8906 9.9600 10.2994 10.3648 10.7202 10.8950 17.7881 17.7980 20.3747 20.3878 20.6371 20.6940 22.7475 22.8599 k = 0.4630 0.0642 0.6124 ( 769 PWs) bands (ev): -15.3815 -15.3740 1.8097 1.8188 2.2278 2.2529 2.7857 2.8072 8.7336 8.8136 9.3138 9.4985 9.8873 9.9587 10.2988 10.3727 10.7165 10.8901 17.7651 17.7744 20.3548 20.3671 20.5989 20.6576 22.8740 22.9833 k = 0.4583 0.0722 0.6124 ( 769 PWs) bands (ev): -15.3821 -15.3746 1.7962 1.8041 2.2395 2.2642 2.7889 2.8099 8.7338 8.8171 9.3242 9.5088 9.8831 9.9570 10.2984 10.3812 10.7123 10.8844 17.7410 17.7497 20.3337 20.3449 20.5608 20.6206 23.0096 23.1157 k = 0.4537 0.0802 0.6124 ( 768 PWs) bands (ev): -15.3827 -15.3752 1.7827 1.7897 2.2509 2.2752 2.7924 2.8129 8.7337 8.8205 9.3361 9.5205 9.8782 9.9550 10.2986 10.3903 10.7075 10.8779 17.7161 17.7242 20.3113 20.3209 20.5244 20.5843 23.1525 23.2556 k = 0.4491 0.0882 0.6124 ( 768 PWs) bands (ev): -15.3833 -15.3759 1.7693 1.7755 2.2616 2.2858 2.7962 2.8162 8.7334 8.8236 9.3493 9.5334 9.8726 9.9525 10.2991 10.3999 10.7022 10.8706 17.6908 17.6983 20.2875 20.2949 20.4907 20.5498 23.3016 23.4017 k = 0.4444 0.0962 0.6124 ( 768 PWs) bands (ev): -15.3839 -15.3766 1.7563 1.7618 2.2717 2.2958 2.8003 2.8196 8.7328 8.8265 9.3639 9.5475 9.8661 9.9496 10.3002 10.4101 10.6964 10.8625 17.6652 17.6723 20.2623 20.2669 20.4606 20.5178 23.4556 23.5528 k = 0.4398 0.1042 0.6124 ( 768 PWs) bands (ev): -15.3845 -15.3772 1.7438 1.7486 2.2810 2.3053 2.8047 2.8231 8.7320 8.8289 9.3797 9.5626 9.8589 9.9461 10.3017 10.4207 10.6902 10.8537 17.6398 17.6465 20.2355 20.2379 20.4344 20.4888 23.6136 23.7079 k = 0.4352 0.1123 0.6124 ( 772 PWs) bands (ev): -15.3851 -15.3779 1.7318 1.7360 2.2895 2.3140 2.8091 2.8267 8.7310 8.8310 9.3966 9.5785 9.8509 9.9420 10.3036 10.4318 10.6836 10.8441 17.6148 17.6211 20.2057 20.2100 20.4119 20.4631 23.7746 23.8661 k = 0.4306 0.1203 0.6124 ( 770 PWs) bands (ev): -15.3857 -15.3786 1.7204 1.7241 2.2974 2.3221 2.8137 2.8304 8.7299 8.8328 9.4145 9.5952 9.8423 9.9373 10.3060 10.4435 10.6767 10.8338 17.5905 17.5965 20.1748 20.1826 20.3926 20.4406 23.9379 24.0264 k = 0.4259 0.1283 0.6124 ( 772 PWs) bands (ev): -15.3863 -15.3792 1.7098 1.7130 2.3044 2.3294 2.8183 2.8340 8.7286 8.8342 9.4334 9.6124 9.8329 9.9318 10.3088 10.4555 10.6696 10.8229 17.5671 17.5728 20.1444 20.1556 20.3762 20.4210 24.1024 24.1879 k = 0.4213 0.1363 0.6124 ( 772 PWs) bands (ev): -15.3868 -15.3798 1.6998 1.7026 2.3107 2.3360 2.8229 2.8375 8.7273 8.8352 9.4530 9.6299 9.8229 9.9257 10.3119 10.4678 10.6623 10.8114 17.5448 17.5503 20.1152 20.1294 20.3621 20.4041 24.2674 24.3496 k = 0.4167 0.1443 0.6124 ( 772 PWs) bands (ev): -15.3873 -15.3804 1.6907 1.6932 2.3163 2.3419 2.8274 2.8409 8.7260 8.8360 9.4732 9.6474 9.8125 9.9188 10.3152 10.4805 10.6550 10.7994 17.5239 17.5292 20.0877 20.1045 20.3500 20.3896 24.4317 24.5104 k = 0.4120 0.1524 0.6124 ( 772 PWs) bands (ev): -15.3878 -15.3809 1.6825 1.6846 2.3212 2.3470 2.8316 2.8440 8.7247 8.8366 9.4937 9.6645 9.8018 9.9112 10.3187 10.4933 10.6478 10.7871 17.5047 17.5097 20.0624 20.0814 20.3397 20.3772 24.5940 24.6687 k = 0.4074 0.1604 0.6124 ( 776 PWs) bands (ev): -15.3882 -15.3814 1.6751 1.6769 2.3255 2.3515 2.8356 2.8467 8.7234 8.8369 9.5145 9.6806 9.7913 9.9027 10.3222 10.5061 10.6408 10.7745 17.4872 17.4921 20.0395 20.0603 20.3309 20.3666 24.7527 24.8230 k = 0.4028 0.1684 0.6124 ( 774 PWs) bands (ev): -15.3886 -15.3818 1.6687 1.6703 2.3291 2.3554 2.8394 2.8492 8.7222 8.8371 9.5353 9.6946 9.7820 9.8934 10.3258 10.5189 10.6344 10.7620 17.4717 17.4764 20.0194 20.0416 20.3234 20.3578 24.9059 24.9708 k = 0.3981 0.1764 0.6124 ( 774 PWs) bands (ev): -15.3889 -15.3821 1.6632 1.6646 2.3321 2.3586 2.8427 2.8513 8.7212 8.8372 9.5561 9.7042 9.7761 9.8833 10.3291 10.5312 10.6285 10.7498 17.4583 17.4628 20.0022 20.0254 20.3173 20.3506 25.0506 25.1092 k = 0.3935 0.1844 0.6124 ( 774 PWs) bands (ev): -15.3892 -15.3824 1.6586 1.6599 2.3345 2.3612 2.8456 2.8529 8.7203 8.8372 9.5766 9.7064 9.7764 9.8724 10.3320 10.5428 10.6233 10.7382 17.4472 17.4515 19.9880 20.0121 20.3123 20.3447 25.1832 25.2340 k = 0.3889 0.1925 0.6124 ( 774 PWs) bands (ev): -15.3894 -15.3827 1.6551 1.6562 2.3364 2.3631 2.8480 2.8542 8.7195 8.8372 9.5966 9.7005 9.7836 9.8608 10.3345 10.5531 10.6191 10.7279 17.4384 17.4426 19.9768 20.0015 20.3085 20.3403 25.2988 25.3399 k = 0.3843 0.2005 0.6124 ( 776 PWs) bands (ev): -15.3895 -15.3828 1.6526 1.6536 2.3376 2.3645 2.8498 2.8550 8.7190 8.8371 9.6156 9.6894 9.7951 9.8484 10.3364 10.5613 10.6159 10.7196 17.4320 17.4362 19.9688 19.9939 20.3058 20.3372 25.3912 25.4206 k = 0.3796 0.2085 0.6124 ( 776 PWs) bands (ev): -15.3896 -15.3829 1.6510 1.6520 2.3384 2.3654 2.8510 2.8554 8.7187 8.8371 9.6326 9.6765 9.8082 9.8355 10.3375 10.5669 10.6140 10.7141 17.4282 17.4323 19.9640 19.9894 20.3042 20.3353 25.4536 25.4694 k = 0.3750 0.2165 0.6124 ( 786 PWs) bands (ev): -15.3897 -15.3830 1.6505 1.6514 2.3386 2.3656 2.8513 2.8555 8.7184 8.8370 9.6417 9.6684 9.8197 9.8237 10.3378 10.5686 10.6132 10.7119 17.4269 17.4310 19.9624 19.9878 20.3037 20.3347 25.4787 25.4829 k = 0.3750 0.2165 0.6124 ( 786 PWs) bands (ev): -15.3897 -15.3830 1.6505 1.6514 2.3386 2.3656 2.8513 2.8555 8.7184 8.8370 9.6417 9.6684 9.8197 9.8237 10.3378 10.5686 10.6132 10.7119 17.4269 17.4310 19.9624 19.9878 20.3037 20.3347 25.4787 25.4829 k = 0.3703 0.2138 0.6046 ( 778 PWs) bands (ev): -15.3914 -15.3846 1.6764 1.6776 2.3072 2.3347 2.8511 2.8555 8.7219 8.8438 9.6366 9.6814 9.8078 9.8260 10.3357 10.5681 10.6253 10.7260 17.4870 17.4926 19.8330 19.8672 20.3122 20.3357 25.4941 25.4986 k = 0.3655 0.2110 0.5969 ( 778 PWs) bands (ev): -15.3932 -15.3863 1.7026 1.7041 2.2757 2.3038 2.8509 2.8554 8.7269 8.8520 9.6304 9.6948 9.7960 9.8297 10.3331 10.5653 10.6389 10.7403 17.5419 17.5489 19.7056 19.7448 20.3256 20.3452 25.5108 25.5157 k = 0.3608 0.2083 0.5891 ( 778 PWs) bands (ev): -15.3953 -15.3883 1.7288 1.7308 2.2443 2.2730 2.8506 2.8553 8.7336 8.8616 9.6233 9.7080 9.7847 9.8347 10.3302 10.5614 10.6535 10.7548 17.5896 17.5979 19.5847 19.6269 20.3418 20.3590 25.5290 25.5342 k = 0.3560 0.2055 0.5814 ( 778 PWs) bands (ev): -15.3975 -15.3905 1.7550 1.7576 2.2132 2.2425 2.8503 2.8552 8.7421 8.8729 9.6154 9.7202 9.7748 9.8408 10.3272 10.5566 10.6687 10.7695 17.6276 17.6368 19.4740 19.5180 20.3599 20.3755 25.5486 25.5541 k = 0.3513 0.2028 0.5736 ( 782 PWs) bands (ev): -15.4000 -15.3929 1.7810 1.7843 2.1826 2.2126 2.8500 2.8550 8.7522 8.8857 9.6068 9.7285 9.7690 9.8477 10.3240 10.5511 10.6843 10.7844 17.6527 17.6621 19.3775 19.4219 20.3794 20.3939 25.5697 25.5756 k = 0.3465 0.2001 0.5659 ( 782 PWs) bands (ev): -15.4027 -15.3955 1.8065 1.8106 2.1527 2.1836 2.8496 2.8547 8.7644 8.9004 9.5976 9.7284 9.7720 9.8552 10.3210 10.5453 10.7002 10.7996 17.6615 17.6701 19.2990 19.3427 20.4004 20.4141 25.5924 25.5986 k = 0.3418 0.1973 0.5581 ( 782 PWs) bands (ev): -15.4056 -15.3984 1.8311 1.8363 2.1240 2.1559 2.8491 2.8544 8.7784 8.9168 9.5880 9.7209 9.7823 9.8630 10.3184 10.5392 10.7165 10.8150 17.6506 17.6574 19.2423 19.2838 20.4228 20.4357 25.6167 25.6232 k = 0.3370 0.1946 0.5504 ( 782 PWs) bands (ev): -15.4087 -15.4015 1.8542 1.8608 2.0971 2.1301 2.8486 2.8541 8.7944 8.9351 9.5780 9.7106 9.7955 9.8707 10.3161 10.5331 10.7329 10.8305 17.6179 17.6217 19.2097 19.2477 20.4464 20.4588 25.6426 25.6494 k = 0.3323 0.1918 0.5426 ( 790 PWs) bands (ev): -15.4121 -15.4049 1.8748 1.8828 2.0730 2.1073 2.8480 2.8536 8.8122 8.9551 9.5676 9.6991 9.8096 9.8781 10.3144 10.5268 10.7493 10.8459 17.5626 17.5627 19.2015 19.2352 20.4714 20.4832 25.6702 25.6773 k = 0.3275 0.1891 0.5349 ( 786 PWs) bands (ev): -15.4156 -15.4085 1.8914 1.9004 2.0540 2.0891 2.8474 2.8531 8.8321 8.9771 9.5573 9.6875 9.8240 9.8850 10.3136 10.5208 10.7661 10.8619 17.4822 17.4863 19.2163 19.2451 20.4977 20.5091 25.6996 25.7070 k = 0.3228 0.1864 0.5271 ( 786 PWs) bands (ev): -15.4195 -15.4123 1.9015 1.9100 2.0438 2.0780 2.8466 2.8526 8.8538 9.0010 9.5469 9.6758 9.8381 9.8910 10.3139 10.5151 10.7830 10.8777 17.3834 17.3915 19.2508 19.2748 20.5255 20.5364 25.7308 25.7385 k = 0.3180 0.1836 0.5194 ( 786 PWs) bands (ev): -15.4236 -15.4165 1.9032 1.9083 2.0454 2.0760 2.8458 2.8519 8.8774 9.0266 9.5364 9.6642 9.8517 9.8959 10.3153 10.5098 10.7999 10.8937 17.2696 17.2815 19.3016 19.3211 20.5548 20.5651 25.7638 25.7717 k = 0.3133 0.1809 0.5116 ( 784 PWs) bands (ev): -15.4279 -15.4209 1.8962 1.8966 2.0578 2.0832 2.8450 2.8511 8.9029 9.0542 9.5261 9.6527 9.8647 9.8996 10.3181 10.5052 10.8169 10.9098 17.1443 17.1594 19.3656 19.3809 20.5857 20.5954 25.7986 25.8068 k = 0.3085 0.1781 0.5039 ( 784 PWs) bands (ev): -15.4326 -15.4256 1.8792 1.8829 2.0766 2.0975 2.8440 2.8503 8.9301 9.0834 9.5159 9.6415 9.8770 9.9019 10.3223 10.5012 10.8339 10.9259 17.0102 17.0281 19.4400 19.4517 20.6182 20.6273 25.8354 25.8438 k = 0.3038 0.1754 0.4961 ( 784 PWs) bands (ev): -15.4375 -15.4305 1.8591 1.8659 2.0987 2.1162 2.8429 2.8494 8.9590 9.1143 9.5059 9.6306 9.8883 9.9027 10.3280 10.4980 10.8510 10.9420 16.8694 16.8896 19.5227 19.5312 20.6524 20.6608 25.8740 25.8826 k = 0.2991 0.1727 0.4883 ( 780 PWs) bands (ev): -15.4426 -15.4358 1.8384 1.8471 2.1225 2.1374 2.8418 2.8483 8.9896 9.1470 9.4963 9.6202 9.8987 9.9021 10.3354 10.4959 10.8681 10.9581 16.7235 16.7458 19.6120 19.6179 20.6885 20.6961 25.9144 25.9233 k = 0.2943 0.1699 0.4806 ( 776 PWs) bands (ev): -15.4480 -15.4413 1.8176 1.8277 2.1470 2.1601 2.8405 2.8472 9.0216 9.1809 9.4873 9.6103 9.9001 9.9080 10.3441 10.4948 10.8852 10.9744 16.5740 16.5978 19.7068 19.7104 20.7266 20.7331 25.9569 25.9659 k = 0.2896 0.1672 0.4728 ( 776 PWs) bands (ev): -15.4538 -15.4471 1.7974 1.8083 2.1717 2.1834 2.8392 2.8460 9.0549 9.2162 9.4787 9.6008 9.8967 9.9160 10.3542 10.4949 10.9023 10.9904 16.4216 16.4468 19.8060 19.8078 20.7667 20.7722 26.0012 26.0104 k = 0.2848 0.1644 0.4651 ( 776 PWs) bands (ev): -15.4598 -15.4533 1.7781 1.7895 2.1964 2.2070 2.8377 2.8446 9.0894 9.2523 9.4710 9.5920 9.8921 9.9228 10.3656 10.4963 10.9192 11.0065 16.2671 16.2935 19.9088 19.9092 20.8091 20.8133 26.0474 26.0568 k = 0.2801 0.1617 0.4573 ( 776 PWs) bands (ev): -15.4661 -15.4597 1.7599 1.7715 2.2209 2.2307 2.8361 2.8431 9.1249 9.2887 9.4648 9.5839 9.8864 9.9285 10.3782 10.4990 10.9361 11.0224 16.1112 16.1385 20.0141 20.0148 20.8540 20.8565 26.0955 26.1051 k = 0.2753 0.1590 0.4496 ( 784 PWs) bands (ev): -15.4727 -15.4664 1.7429 1.7546 2.2450 2.2541 2.8344 2.8415 9.1609 9.3242 9.4609 9.5766 9.8799 9.9329 10.3917 10.5028 10.9527 11.0381 15.9543 15.9822 20.1220 20.1231 20.9015 20.9021 26.1454 26.1552 k = 0.2706 0.1562 0.4418 ( 784 PWs) bands (ev): -15.4796 -15.4734 1.7272 1.7388 2.2688 2.2772 2.8326 2.8398 9.1975 9.3560 9.4625 9.5707 9.8727 9.9364 10.4062 10.5082 10.9694 11.0539 15.7967 15.8252 20.2323 20.2334 20.9504 20.9521 26.1973 26.2071 k = 0.2658 0.1535 0.4341 ( 784 PWs) bands (ev): -15.4867 -15.4807 1.7129 1.7244 2.2920 2.2999 2.8306 2.8379 9.2339 9.3789 9.4744 9.5662 9.8652 9.9389 10.4215 10.5148 10.9859 11.0695 15.6387 15.6677 20.3447 20.3452 21.0014 21.0060 26.2509 26.2609 k = 0.2611 0.1507 0.4263 ( 784 PWs) bands (ev): -15.4941 -15.4883 1.7002 1.7114 2.3147 2.3221 2.8286 2.8359 9.2695 9.3894 9.4997 9.5636 9.8577 9.9408 10.4374 10.5227 11.0023 11.0849 15.4806 15.5100 20.4578 20.4586 21.0557 21.0637 26.3062 26.3163 k = 0.2563 0.1480 0.4186 ( 784 PWs) bands (ev): -15.5018 -15.4961 1.6890 1.6999 2.3368 2.3438 2.8264 2.8338 9.3036 9.3914 9.5343 9.5635 9.8506 9.9422 10.4539 10.5318 11.0185 11.1002 15.3226 15.3523 20.5705 20.5736 21.1135 21.1258 26.3633 26.3734 k = 0.2516 0.1453 0.4108 ( 784 PWs) bands (ev): -15.5098 -15.5043 1.6794 1.6899 2.3582 2.3649 2.8241 2.8316 9.3349 9.3894 9.5668 9.5729 9.8446 9.9436 10.4707 10.5418 11.0345 11.1153 15.1649 15.1948 20.6826 20.6890 21.1755 21.1930 26.4219 26.4320 k = 0.2468 0.1425 0.4031 ( 784 PWs) bands (ev): -15.5180 -15.5126 1.6714 1.6816 2.3790 2.3853 2.8216 2.8292 9.3621 9.3860 9.5743 9.6121 9.8408 9.9454 10.4879 10.5529 11.0503 11.1302 15.0077 15.0376 20.7932 20.8040 21.2424 21.2661 26.4820 26.4921 k = 0.2421 0.1398 0.3953 ( 788 PWs) bands (ev): -15.5265 -15.5213 1.6651 1.6748 2.3990 2.4050 2.8190 2.8267 9.3818 9.3841 9.5866 9.6487 9.8412 9.9480 10.5052 10.5647 11.0659 11.1449 14.8510 14.8810 20.9013 20.9175 21.3152 21.3462 26.5434 26.5535 k = 0.2373 0.1370 0.3876 ( 788 PWs) bands (ev): -15.5352 -15.5302 1.6605 1.6698 2.4183 2.4240 2.8163 2.8240 9.3778 9.4004 9.6038 9.6793 9.8489 9.9523 10.5228 10.5773 11.0813 11.1593 14.6950 14.7250 21.0061 21.0284 21.3951 21.4340 26.6061 26.6161 k = 0.2326 0.1343 0.3798 ( 788 PWs) bands (ev): -15.5441 -15.5393 1.6576 1.6664 2.4369 2.4423 2.8135 2.8212 9.3740 9.4117 9.6243 9.7000 9.8676 9.9590 10.5404 10.5905 11.0963 11.1735 14.5398 14.5697 21.1069 21.1355 21.4833 21.5300 26.6698 26.6796 k = 0.2278 0.1315 0.3721 ( 784 PWs) bands (ev): -15.5532 -15.5486 1.6565 1.6648 2.4547 2.4599 2.8106 2.8183 9.3707 9.4190 9.6461 9.7101 9.8978 9.9692 10.5580 10.6042 11.1112 11.1874 14.3856 14.4154 21.2038 21.2379 21.5807 21.6345 26.7343 26.7440 k = 0.2231 0.1288 0.3643 ( 784 PWs) bands (ev): -15.5626 -15.5582 1.6571 1.6650 2.4717 2.4766 2.8075 2.8153 9.3676 9.4234 9.6670 9.7121 9.9367 9.9838 10.5756 10.6184 11.1257 11.2010 14.2324 14.2621 21.2973 21.3355 21.6871 21.7466 26.7993 26.8088 k = 0.2184 0.1261 0.3566 ( 784 PWs) bands (ev): -15.5722 -15.5679 1.6595 1.6668 2.4880 2.4926 2.8043 2.8121 9.3650 9.4261 9.6851 9.7093 9.9811 10.0036 10.5931 10.6328 11.1399 11.2143 14.0804 14.1098 21.3882 21.4292 21.8019 21.8657 26.8646 26.8739 k = 0.2136 0.1233 0.3488 ( 788 PWs) bands (ev): -15.5820 -15.5779 1.6637 1.6705 2.5034 2.5078 2.8009 2.8087 9.3629 9.4277 9.6993 9.7039 10.0285 10.0288 10.6104 10.6473 11.1538 11.2272 13.9296 13.9588 21.4775 21.5201 21.9238 21.9906 26.9298 26.9387 k = 0.2089 0.1206 0.3411 ( 788 PWs) bands (ev): -15.5919 -15.5880 1.6696 1.6759 2.5180 2.5222 2.7974 2.8053 9.3614 9.4287 9.6971 9.7096 10.0593 10.0777 10.6275 10.6621 11.1673 11.2398 13.7802 13.8091 21.5663 21.6096 22.0515 22.1204 26.9945 27.0029 k = 0.2041 0.1178 0.3333 ( 789 PWs) bands (ev): -15.6020 -15.5983 1.6772 1.6830 2.5318 2.5359 2.7939 2.8017 9.3604 9.4296 9.6895 9.7161 10.0944 10.1280 10.6444 10.6768 11.1805 11.2520 13.6323 13.6609 21.6554 21.6988 22.1837 22.2541 27.0581 27.0661 k = 0.1994 0.1151 0.3256 ( 789 PWs) bands (ev): -15.6122 -15.6087 1.6866 1.6919 2.5449 2.5487 2.7902 2.7980 9.3600 9.4304 9.6817 9.7196 10.1331 10.1787 10.6611 10.6915 11.1933 11.2639 13.4860 13.5143 21.7454 21.7887 22.3194 22.3910 27.1201 27.1276 k = 0.1946 0.1124 0.3178 ( 789 PWs) bands (ev): -15.6226 -15.6193 1.6977 1.7025 2.5571 2.5607 2.7864 2.7943 9.3602 9.4313 9.6738 9.7206 10.1745 10.2296 10.6775 10.7061 11.2057 11.2755 13.3415 13.3694 21.8367 21.8798 22.4581 22.5307 27.1798 27.1867 k = 0.1899 0.1096 0.3101 ( 789 PWs) bands (ev): -15.6331 -15.6299 1.7105 1.7148 2.5685 2.5720 2.7825 2.7904 9.3610 9.4325 9.6660 9.7197 10.2179 10.2802 10.6935 10.7205 11.2178 11.2866 13.1988 13.2263 21.9299 21.9727 22.5990 22.6725 27.2365 27.2426 k = 0.1851 0.1069 0.3023 ( 789 PWs) bands (ev): -15.6436 -15.6407 1.7249 1.7287 2.5791 2.5824 2.7785 2.7864 9.3624 9.4341 9.6585 9.7177 10.2625 10.3303 10.7090 10.7345 11.2294 11.2973 13.0582 13.0853 22.0252 22.0677 22.7418 22.8162 27.2892 27.2945 k = 0.1804 0.1041 0.2946 ( 789 PWs) bands (ev): -15.6543 -15.6515 1.7410 1.7443 2.5890 2.5922 2.7745 2.7823 9.3643 9.4360 9.6511 9.7146 10.3080 10.3798 10.7243 10.7481 11.2405 11.3077 12.9199 12.9464 22.1228 22.1651 22.8861 22.9614 27.3371 27.3415 k = 0.1756 0.1014 0.2868 ( 789 PWs) bands (ev): -15.6650 -15.6624 1.7586 1.7615 2.5981 2.6012 2.7703 2.7781 9.3668 9.4382 9.6441 9.7108 10.3537 10.4281 10.7392 10.7612 11.2512 11.3176 12.7840 12.8100 22.2228 22.2649 23.0316 23.1077 27.3790 27.3826 k = 0.1709 0.0987 0.2791 ( 791 PWs) bands (ev): -15.6757 -15.6733 1.7778 1.7802 2.6065 2.6094 2.7661 2.7739 9.3699 9.4408 9.6375 9.7066 10.3993 10.4750 10.7538 10.7736 11.2615 11.3271 12.6509 12.6762 22.3255 22.3674 23.1780 23.2548 27.4142 27.4167 k = 0.1661 0.0959 0.2713 ( 791 PWs) bands (ev): -15.6865 -15.6842 1.7984 1.8004 2.6142 2.6169 2.7619 2.7696 9.3735 9.4439 9.6312 9.7021 10.4444 10.5199 10.7683 10.7854 11.2712 11.3361 12.5209 12.5454 22.4309 22.4727 23.3249 23.4025 27.4415 27.4430 k = 0.1614 0.0932 0.2636 ( 791 PWs) bands (ev): -15.6972 -15.6951 1.8205 1.8221 2.6212 2.6238 2.7575 2.7652 9.3776 9.4473 9.6254 9.6975 10.4885 10.5622 10.7831 10.7962 11.2804 11.3448 12.3943 12.4179 22.5390 22.5808 23.4721 23.5505 27.4603 27.4609 k = 0.1566 0.0904 0.2558 ( 791 PWs) bands (ev): -15.7080 -15.7060 1.8440 1.8452 2.6275 2.6300 2.7532 2.7608 9.3823 9.4512 9.6200 9.6928 10.5313 10.6009 10.7985 10.8061 11.2890 11.3530 12.2717 12.2941 22.6500 22.6917 23.6193 23.6984 27.4697 27.4701 k = 0.1519 0.0877 0.2480 ( 791 PWs) bands (ev): -15.7187 -15.7169 1.8687 1.8695 2.6331 2.6356 2.7488 2.7563 9.3874 9.4554 9.6150 9.6881 10.5720 10.6343 10.8150 10.8157 11.2969 11.3607 12.1536 12.1746 22.7637 22.8055 23.7662 23.8459 27.4694 27.4706 k = 0.1472 0.0850 0.2403 ( 787 PWs) bands (ev): -15.7293 -15.7276 1.8948 1.8952 2.6382 2.6406 2.7444 2.7519 9.3930 9.4600 9.6105 9.6835 10.6097 10.6609 10.8234 10.8359 11.3041 11.3681 12.0409 12.0600 22.8803 22.9221 23.9124 23.9928 27.4601 27.4620 k = 0.1424 0.0822 0.2325 ( 791 PWs) bands (ev): -15.7399 -15.7383 1.9219 1.9220 2.6426 2.6449 2.7400 2.7474 9.3991 9.4650 9.6062 9.6789 10.6424 10.6785 10.8317 10.8598 11.3105 11.3749 11.9344 11.9511 22.9996 23.0415 24.0577 24.1387 27.4424 27.4449 k = 0.1377 0.0795 0.2248 ( 791 PWs) bands (ev): -15.7503 -15.7489 1.9498 1.9500 2.6464 2.6487 2.7356 2.7429 9.4056 9.4703 9.6025 9.6746 10.6677 10.6866 10.8418 10.8875 11.3159 11.3814 11.8355 11.8488 23.1216 23.1636 24.2017 24.2831 27.4169 27.4199 k = 0.1329 0.0767 0.2170 ( 791 PWs) bands (ev): -15.7607 -15.7594 1.9787 1.9792 2.6497 2.6519 2.7312 2.7385 9.4124 9.4759 9.5992 9.6704 10.6818 10.6847 10.8560 10.9183 11.3200 11.3874 11.7457 11.7543 23.2462 23.2884 24.3440 24.4257 27.3847 27.3881 k = 0.1282 0.0740 0.2093 ( 797 PWs) bands (ev): -15.7709 -15.7697 2.0084 2.0092 2.6524 2.6546 2.7268 2.7340 9.4195 9.4817 9.5961 9.6662 10.6729 10.6816 10.8759 10.9507 11.3226 11.3929 11.6666 11.6688 23.3734 23.4157 24.4842 24.5661 27.3468 27.3505 k = 0.1234 0.0713 0.2015 ( 799 PWs) bands (ev): -15.7809 -15.7799 2.0389 2.0399 2.6547 2.6569 2.7225 2.7296 9.4271 9.4878 9.5935 9.6623 10.6511 10.6665 10.9012 10.9839 11.3233 11.3980 11.5935 11.5998 23.5030 23.5455 24.6218 24.7039 27.3042 27.3081 k = 0.1187 0.0685 0.1938 ( 797 PWs) bands (ev): -15.7908 -15.7898 2.0701 2.0714 2.6565 2.6587 2.7183 2.7253 9.4349 9.4941 9.5914 9.6586 10.6195 10.6374 10.9301 11.0171 11.3217 11.4026 11.5293 11.5467 23.6349 23.6775 24.7565 24.8385 27.2580 27.2621 k = 0.1139 0.0658 0.1860 ( 793 PWs) bands (ev): -15.8004 -15.7996 2.1019 2.1034 2.6580 2.6601 2.7142 2.7211 9.4430 9.5007 9.5896 9.6552 10.5781 10.5960 10.9607 11.0497 11.3179 11.4065 11.4769 11.5075 23.7689 23.8116 24.8879 24.9696 27.2091 27.2133 k = 0.1092 0.0630 0.1783 ( 793 PWs) bands (ev): -15.8098 -15.8091 2.1341 2.1357 2.6590 2.6611 2.7101 2.7170 9.4513 9.5073 9.5881 9.6519 10.5277 10.5440 10.9918 11.0814 11.3123 11.4078 11.4375 11.4808 23.9048 23.9476 25.0154 25.0966 27.1584 27.1627 k = 0.1044 0.0603 0.1705 ( 783 PWs) bands (ev): -15.8190 -15.8183 2.1666 2.1684 2.6598 2.6619 2.7064 2.7131 9.4598 9.5141 9.5872 9.6490 10.4696 10.4836 11.0227 11.1118 11.3065 11.3954 11.4219 11.4643 24.0424 24.0853 25.1387 25.2191 27.1067 27.1110 k = 0.0997 0.0576 0.1628 ( 783 PWs) bands (ev): -15.8279 -15.8273 2.1993 2.2012 2.6601 2.6622 2.7025 2.7092 9.4683 9.5208 9.5863 9.6461 10.4054 10.4169 11.0529 11.1408 11.3014 11.3749 11.4227 11.4549 24.1814 24.2242 25.2571 25.3365 27.0545 27.0589 k = 0.0949 0.0548 0.1550 ( 783 PWs) bands (ev): -15.8365 -15.8360 2.2320 2.2340 2.6601 2.6623 2.6989 2.7053 9.4770 9.5276 9.5857 9.6433 10.3367 10.3459 11.0821 11.1681 11.2979 11.3594 11.4253 11.4502 24.3214 24.3642 25.3703 25.4485 27.0025 27.0069 k = 0.0902 0.0521 0.1473 ( 783 PWs) bands (ev): -15.8449 -15.8444 2.2645 2.2666 2.6598 2.6620 2.6953 2.7016 9.4856 9.5343 9.5853 9.6406 10.2653 10.2725 11.1103 11.1937 11.2964 11.3493 11.4283 11.4484 24.4622 24.5049 25.4779 25.5546 26.9512 26.9557 k = 0.0854 0.0493 0.1395 ( 783 PWs) bands (ev): -15.8529 -15.8525 2.2968 2.2990 2.6593 2.6615 2.6920 2.6981 9.4943 9.5410 9.5852 9.6381 10.1926 10.1980 11.1372 11.2173 11.2967 11.3436 11.4313 11.4486 24.6032 24.6457 25.5796 25.6544 26.9010 26.9055 k = 0.0807 0.0466 0.1318 ( 783 PWs) bands (ev): -15.8606 -15.8603 2.3287 2.3309 2.6586 2.6607 2.6888 2.6947 9.5029 9.5475 9.5853 9.6358 10.1197 10.1237 11.1627 11.2390 11.2986 11.3414 11.4344 11.4500 24.7441 24.7863 25.6750 25.7477 26.8523 26.8569 k = 0.0759 0.0438 0.1240 ( 783 PWs) bands (ev): -15.8679 -15.8677 2.3600 2.3622 2.6578 2.6598 2.6858 2.6915 9.5114 9.5539 9.5856 9.6335 10.0476 10.0505 11.1868 11.2584 11.3016 11.3420 11.4375 11.4521 24.8843 24.9261 25.7640 25.8342 26.8055 26.8101 k = 0.0712 0.0411 0.1163 ( 775 PWs) bands (ev): -15.8749 -15.8747 2.3905 2.3927 2.6569 2.6588 2.6831 2.6885 9.5199 9.5601 9.5861 9.6314 9.9772 9.9792 11.2096 11.2758 11.3056 11.3447 11.4410 11.4550 25.0232 25.0644 25.8464 25.9139 26.7608 26.7656 k = 0.0665 0.0384 0.1085 ( 779 PWs) bands (ev): -15.8815 -15.8813 2.4201 2.4222 2.6558 2.6576 2.6805 2.6856 9.5279 9.5658 9.5867 9.6293 9.9091 9.9103 11.2307 11.2908 11.3101 11.3489 11.4446 11.4580 25.1600 25.2004 25.9222 25.9866 26.7186 26.7234 k = 0.0617 0.0356 0.1008 ( 779 PWs) bands (ev): -15.8877 -15.8876 2.4485 2.4506 2.6547 2.6564 2.6781 2.6829 9.5358 9.5714 9.5873 9.6272 9.8439 9.8444 11.2504 11.3037 11.3151 11.3539 11.4486 11.4613 25.2940 25.3334 25.9913 26.0524 26.6791 26.6840 k = 0.0570 0.0329 0.0930 ( 779 PWs) bands (ev): -15.8935 -15.8934 2.4756 2.4777 2.6536 2.6551 2.6760 2.6804 9.5435 9.5766 9.5881 9.6252 9.7820 9.7821 11.2685 11.3148 11.3203 11.3593 11.4530 11.4648 25.4242 25.4623 26.0540 26.1115 26.6426 26.6476 k = 0.0522 0.0301 0.0853 ( 779 PWs) bands (ev): -15.8989 -15.8988 2.5013 2.5032 2.6525 2.6539 2.6740 2.6781 9.5508 9.5814 9.5887 9.6231 9.7236 9.7240 11.2851 11.3243 11.3256 11.3644 11.4578 11.4684 25.5496 25.5861 26.1106 26.1641 26.6093 26.6144 k = 0.0475 0.0274 0.0775 ( 775 PWs) bands (ev): -15.9039 -15.9038 2.5253 2.5271 2.6516 2.6528 2.6724 2.6761 9.5578 9.5857 9.5890 9.6206 9.6698 9.6705 11.3001 11.3309 11.3327 11.3689 11.4630 11.4721 25.6689 25.7033 26.1615 26.2106 26.5797 26.5847 k = 0.0427 0.0247 0.0698 ( 773 PWs) bands (ev): -15.9084 -15.9083 2.5475 2.5491 2.6509 2.6519 2.6708 2.6741 9.5642 9.5870 9.5889 9.6116 9.6239 9.6277 11.3137 11.3360 11.3402 11.3725 11.4682 11.4757 25.7806 25.8123 26.2074 26.2515 26.5539 26.5588 k = 0.0380 0.0219 0.0620 ( 773 PWs) bands (ev): -15.9125 -15.9124 2.5675 2.5689 2.6504 2.6512 2.6694 2.6724 9.5634 9.5693 9.5737 9.5951 9.5999 9.6199 11.3256 11.3410 11.3468 11.3751 11.4734 11.4792 25.8830 25.9112 26.2493 26.2876 26.5323 26.5368 k = 0.0332 0.0192 0.0543 ( 769 PWs) bands (ev): -15.9161 -15.9160 2.5852 2.5864 2.6503 2.6510 2.6683 2.6708 9.5286 9.5300 9.5773 9.5974 9.5975 9.6176 11.3361 11.3458 11.3526 11.3769 11.4784 11.4826 25.9738 25.9975 26.2885 26.3202 26.5149 26.5189 k = 0.0285 0.0164 0.0465 ( 769 PWs) bands (ev): -15.9192 -15.9192 2.6002 2.6012 2.6509 2.6513 2.6672 2.6694 9.4941 9.4947 9.5824 9.5979 9.5997 9.6156 11.3451 11.3503 11.3577 11.3778 11.4830 11.4858 26.0508 26.0688 26.3267 26.3506 26.5020 26.5052 k = 0.0237 0.0137 0.0388 ( 761 PWs) bands (ev): -15.9219 -15.9219 2.6122 2.6129 2.6524 2.6526 2.6665 2.6683 9.4641 9.4643 9.5873 9.5990 9.6019 9.6140 11.3527 11.3546 11.3621 11.3780 11.4870 11.4887 26.1117 26.1236 26.3647 26.3805 26.4932 26.4955 k = 0.0190 0.0110 0.0310 ( 753 PWs) bands (ev): -15.9240 -15.9240 2.6209 2.6213 2.6551 2.6551 2.6659 2.6673 9.4391 9.4393 9.5918 9.6002 9.6035 9.6123 11.3583 11.3592 11.3657 11.3776 11.4904 11.4913 26.1559 26.1623 26.4017 26.4104 26.4879 26.4893 k = 0.0142 0.0082 0.0233 ( 749 PWs) bands (ev): -15.9257 -15.9257 2.6263 2.6264 2.6585 2.6586 2.6654 2.6665 9.4196 9.4196 9.5956 9.6014 9.6044 9.6105 11.3621 11.3640 11.3685 11.3767 11.4931 11.4935 26.1849 26.1875 26.4349 26.4386 26.4851 26.4858 k = 0.0095 0.0055 0.0155 ( 749 PWs) bands (ev): -15.9270 -15.9270 2.6292 2.6292 2.6618 2.6620 2.6651 2.6658 9.4055 9.4055 9.5989 9.6025 9.6048 9.6086 11.3654 11.3675 11.3703 11.3752 11.4949 11.4950 26.2020 26.2028 26.4611 26.4622 26.4839 26.4841 k = 0.0047 0.0027 0.0078 ( 749 PWs) bands (ev): -15.9277 -15.9277 2.6305 2.6305 2.6642 2.6643 2.6650 2.6654 9.3970 9.3970 9.6018 9.6035 9.6047 9.6065 11.3684 11.3699 11.3712 11.3733 11.4960 11.4960 26.2108 26.2109 26.4777 26.4778 26.4834 26.4834 k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -15.9279 -15.9279 2.6309 2.6309 2.6651 2.6651 2.6651 2.6651 9.3942 9.3942 9.6043 9.6043 9.6043 9.6043 11.3711 11.3711 11.3711 11.3711 11.4964 11.4964 26.2134 26.2134 26.4833 26.4833 26.4833 26.4833 k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -15.9279 -15.9279 2.6309 2.6309 2.6651 2.6651 2.6651 2.6651 9.3942 9.3942 9.6043 9.6043 9.6043 9.6043 11.3711 11.3711 11.3711 11.3711 11.4964 11.4964 26.2134 26.2134 26.4833 26.4833 26.4833 26.4833 k = 0.0078 0.0045 0.0032 ( 749 PWs) bands (ev): -15.9277 -15.9277 2.6305 2.6305 2.6642 2.6642 2.6650 2.6654 9.3971 9.3971 9.6017 9.6041 9.6041 9.6066 11.3683 11.3705 11.3705 11.3735 11.4960 11.4960 26.2108 26.2108 26.4773 26.4773 26.4838 26.4838 k = 0.0156 0.0090 0.0064 ( 749 PWs) bands (ev): -15.9269 -15.9269 2.6292 2.6292 2.6618 2.6618 2.6652 2.6659 9.4057 9.4057 9.5988 9.6037 9.6037 9.6086 11.3653 11.3688 11.3688 11.3756 11.4950 11.4950 26.2019 26.2019 26.4602 26.4602 26.4854 26.4854 k = 0.0234 0.0135 0.0096 ( 749 PWs) bands (ev): -15.9257 -15.9257 2.6262 2.6262 2.6584 2.6584 2.6655 2.6666 9.4200 9.4200 9.5957 9.6029 9.6029 9.6104 11.3620 11.3659 11.3659 11.3773 11.4932 11.4932 26.1839 26.1839 26.4356 26.4356 26.4879 26.4879 k = 0.0312 0.0180 0.0128 ( 755 PWs) bands (ev): -15.9240 -15.9240 2.6206 2.6206 2.6550 2.6550 2.6660 2.6676 9.4399 9.4399 9.5922 9.6018 9.6018 9.6118 11.3583 11.3617 11.3617 11.3787 11.4908 11.4908 26.1515 26.1515 26.4089 26.4089 26.4914 26.4914 k = 0.0391 0.0226 0.0159 ( 758 PWs) bands (ev): -15.9218 -15.9218 2.6118 2.6118 2.6527 2.6527 2.6668 2.6687 9.4652 9.4652 9.5885 9.6004 9.6004 9.6129 11.3544 11.3564 11.3564 11.3798 11.4879 11.4879 26.0997 26.0997 26.3865 26.3865 26.4958 26.4958 k = 0.0469 0.0271 0.0191 ( 770 PWs) bands (ev): -15.9191 -15.9191 2.5994 2.5994 2.6514 2.6514 2.6676 2.6698 9.4958 9.4958 9.5844 9.5987 9.5987 9.6135 11.3499 11.3499 11.3500 11.3804 11.4843 11.4843 26.0261 26.0261 26.3717 26.3717 26.5010 26.5010 k = 0.0547 0.0316 0.0223 ( 770 PWs) bands (ev): -15.9159 -15.9159 2.5839 2.5839 2.6512 2.6512 2.6687 2.6714 9.5311 9.5311 9.5804 9.5976 9.5976 9.6142 11.3421 11.3421 11.3454 11.3807 11.4805 11.4805 25.9322 25.9322 26.3640 26.3640 26.5070 26.5070 k = 0.0625 0.0361 0.0255 ( 773 PWs) bands (ev): -15.9122 -15.9122 2.5656 2.5656 2.6517 2.6517 2.6700 2.6731 9.5684 9.5684 9.5760 9.5990 9.5990 9.6145 11.3332 11.3332 11.3406 11.3807 11.4763 11.4763 25.8211 25.8211 26.3615 26.3615 26.5137 26.5137 k = 0.0703 0.0406 0.0287 ( 779 PWs) bands (ev): -15.9081 -15.9081 2.5447 2.5447 2.6528 2.6528 2.6716 2.6749 9.5716 9.5859 9.5859 9.6146 9.6249 9.6249 11.3231 11.3231 11.3354 11.3802 11.4717 11.4717 25.6956 25.6956 26.3625 26.3625 26.5209 26.5210 k = 0.0781 0.0451 0.0319 ( 779 PWs) bands (ev): -15.9035 -15.9035 2.5217 2.5217 2.6542 2.6542 2.6733 2.6770 9.5672 9.5857 9.5857 9.6146 9.6728 9.6728 11.3120 11.3120 11.3299 11.3793 11.4669 11.4669 25.5581 25.5581 26.3659 26.3659 26.5285 26.5286 k = 0.0859 0.0496 0.0351 ( 785 PWs) bands (ev): -15.8985 -15.8985 2.4967 2.4967 2.6558 2.6558 2.6751 2.6792 9.5626 9.5835 9.5835 9.6144 9.7268 9.7268 11.3000 11.3000 11.3239 11.3779 11.4617 11.4617 25.4105 25.4105 26.3708 26.3708 26.5364 26.5366 k = 0.0938 0.0541 0.0383 ( 785 PWs) bands (ev): -15.8930 -15.8930 2.4699 2.4699 2.6577 2.6577 2.6771 2.6815 9.5581 9.5808 9.5808 9.6141 9.7850 9.7850 11.2874 11.2874 11.3177 11.3761 11.4564 11.4564 25.2542 25.2542 26.3767 26.3767 26.5444 26.5447 k = 0.1016 0.0586 0.0415 ( 785 PWs) bands (ev): -15.8871 -15.8871 2.4414 2.4414 2.6599 2.6599 2.6794 2.6841 9.5535 9.5778 9.5778 9.6137 9.8468 9.8468 11.2743 11.2743 11.3112 11.3739 11.4509 11.4509 25.0907 25.0907 26.3833 26.3833 26.5524 26.5528 k = 0.1094 0.0631 0.0447 ( 785 PWs) bands (ev): -15.8808 -15.8808 2.4115 2.4115 2.6623 2.6623 2.6818 2.6868 9.5490 9.5747 9.5747 9.6131 9.9116 9.9116 11.2612 11.2612 11.3043 11.3712 11.4452 11.4452 24.9210 24.9210 26.3902 26.3902 26.5603 26.5607 k = 0.1172 0.0677 0.0478 ( 785 PWs) bands (ev): -15.8741 -15.8741 2.3803 2.3803 2.6648 2.6648 2.6843 2.6897 9.5445 9.5715 9.5715 9.6125 9.9787 9.9787 11.2485 11.2485 11.2971 11.3680 11.4392 11.4392 24.7463 24.7463 26.3972 26.3972 26.5678 26.5683 k = 0.1250 0.0722 0.0510 ( 785 PWs) bands (ev): -15.8671 -15.8671 2.3480 2.3480 2.6675 2.6675 2.6870 2.6927 9.5401 9.5682 9.5682 9.6119 10.0473 10.0473 11.2369 11.2369 11.2895 11.3642 11.4330 11.4330 24.5672 24.5672 26.4039 26.4039 26.5747 26.5754 k = 0.1328 0.0767 0.0542 ( 785 PWs) bands (ev): -15.8596 -15.8596 2.3146 2.3146 2.6704 2.6704 2.6899 2.6958 9.5359 9.5650 9.5650 9.6112 10.1164 10.1164 11.2272 11.2272 11.2815 11.3600 11.4266 11.4266 24.3848 24.3848 26.4102 26.4102 26.5809 26.5818 k = 0.1406 0.0812 0.0574 ( 785 PWs) bands (ev): -15.8519 -15.8519 2.2805 2.2805 2.6734 2.6734 2.6928 2.6990 9.5318 9.5618 9.5618 9.6106 10.1849 10.1849 11.2204 11.2204 11.2731 11.3552 11.4200 11.4200 24.1996 24.1996 26.4158 26.4158 26.5862 26.5872 k = 0.1484 0.0857 0.0606 ( 785 PWs) bands (ev): -15.8438 -15.8438 2.2457 2.2457 2.6765 2.6765 2.6959 2.7023 9.5279 9.5586 9.5586 9.6101 10.2512 10.2512 11.2180 11.2180 11.2644 11.3499 11.4133 11.4133 24.0123 24.0123 26.4206 26.4206 26.5904 26.5916 k = 0.1562 0.0902 0.0638 ( 791 PWs) bands (ev): -15.8354 -15.8354 2.2103 2.2103 2.6796 2.6796 2.6990 2.7057 9.5242 9.5556 9.5556 9.6096 10.3133 10.3133 11.2216 11.2216 11.2551 11.3439 11.4063 11.4063 23.8234 23.8234 26.4243 26.4243 26.5933 26.5948 k = 0.1641 0.0947 0.0670 ( 791 PWs) bands (ev): -15.8267 -15.8267 2.1745 2.1745 2.6829 2.6829 2.7023 2.7092 9.5209 9.5527 9.5527 9.6093 10.3692 10.3692 11.2330 11.2330 11.2454 11.3374 11.3997 11.3997 23.6334 23.6334 26.4268 26.4268 26.5948 26.5966 k = 0.1719 0.0992 0.0702 ( 791 PWs) bands (ev): -15.8177 -15.8177 2.1385 2.1385 2.6863 2.6863 2.7056 2.7127 9.5179 9.5501 9.5501 9.6092 10.4164 10.4164 11.2354 11.2539 11.2539 11.3304 11.3939 11.3939 23.4427 23.4427 26.4279 26.4279 26.5948 26.5968 k = 0.1797 0.1037 0.0734 ( 791 PWs) bands (ev): -15.8085 -15.8085 2.1023 2.1023 2.6898 2.6898 2.7090 2.7164 9.5152 9.5476 9.5476 9.6093 10.4532 10.4532 11.2249 11.2838 11.2838 11.3227 11.3909 11.3909 23.2518 23.2518 26.4276 26.4276 26.5931 26.5954 k = 0.1875 0.1083 0.0765 ( 794 PWs) bands (ev): -15.7991 -15.7991 2.0660 2.0660 2.6933 2.6933 2.7125 2.7200 9.5129 9.5454 9.5454 9.6096 10.4784 10.4784 11.2140 11.3145 11.3161 11.3161 11.3984 11.3984 23.0610 23.0610 26.4256 26.4256 26.5896 26.5922 k = 0.1953 0.1128 0.0797 ( 794 PWs) bands (ev): -15.7894 -15.7894 2.0299 2.0299 2.6968 2.6968 2.7160 2.7237 9.5111 9.5435 9.5435 9.6102 10.4922 10.4922 11.2027 11.3056 11.3328 11.3328 11.4344 11.4344 22.8705 22.8705 26.4220 26.4220 26.5842 26.5872 k = 0.2031 0.1173 0.0829 ( 794 PWs) bands (ev): -15.7796 -15.7796 1.9939 1.9939 2.7004 2.7004 2.7196 2.7274 9.5097 9.5419 9.5419 9.6111 10.4957 10.4957 11.1910 11.2962 11.3324 11.3324 11.4990 11.4990 22.6806 22.6806 26.4165 26.4165 26.5769 26.5802 k = 0.2109 0.1218 0.0861 ( 794 PWs) bands (ev): -15.7696 -15.7696 1.9583 1.9583 2.7040 2.7040 2.7232 2.7312 9.5088 9.5406 9.5406 9.6123 10.4905 10.4905 11.1788 11.2861 11.3257 11.3257 11.5800 11.5800 22.4915 22.4915 26.4092 26.4092 26.5676 26.5712 k = 0.2188 0.1263 0.0893 ( 791 PWs) bands (ev): -15.7595 -15.7595 1.9230 1.9230 2.7077 2.7077 2.7269 2.7349 9.5084 9.5397 9.5397 9.6138 10.4782 10.4782 11.1662 11.2755 11.3165 11.3165 11.6717 11.6717 22.3035 22.3035 26.4001 26.4001 26.5563 26.5603 k = 0.2266 0.1308 0.0925 ( 791 PWs) bands (ev): -15.7493 -15.7493 1.8882 1.8882 2.7113 2.7113 2.7305 2.7387 9.5085 9.5392 9.5392 9.6157 10.4603 10.4603 11.1531 11.2643 11.3061 11.3061 11.7713 11.7713 22.1167 22.1167 26.3891 26.3891 26.5430 26.5474 k = 0.2344 0.1353 0.0957 ( 791 PWs) bands (ev): -15.7390 -15.7390 1.8538 1.8538 2.7149 2.7149 2.7342 2.7424 9.5091 9.5390 9.5390 9.6180 10.4380 10.4380 11.1397 11.2525 11.2947 11.2947 11.8773 11.8773 21.9312 21.9312 26.3763 26.3763 26.5278 26.5326 k = 0.2422 0.1398 0.0989 ( 790 PWs) bands (ev): -15.7286 -15.7286 1.8201 1.8201 2.7185 2.7185 2.7378 2.7461 9.5103 9.5392 9.5392 9.6207 10.4124 10.4124 11.1258 11.2401 11.2827 11.2827 11.9884 11.9884 21.7473 21.7473 26.3617 26.3617 26.5108 26.5159 k = 0.2500 0.1443 0.1021 ( 790 PWs) bands (ev): -15.7183 -15.7183 1.7870 1.7870 2.7221 2.7221 2.7414 2.7497 9.5121 9.5398 9.5398 9.6238 10.3841 10.3841 11.1116 11.2271 11.2701 11.2701 12.1036 12.1036 21.5649 21.5649 26.3455 26.3455 26.4921 26.4975 k = 0.2578 0.1488 0.1053 ( 784 PWs) bands (ev): -15.7078 -15.7078 1.7546 1.7546 2.7258 2.7258 2.7451 2.7534 9.5147 9.5409 9.5409 9.6274 10.3540 10.3540 11.0971 11.2137 11.2571 11.2571 12.2222 12.2222 21.3842 21.3842 26.3276 26.3276 26.4717 26.4775 k = 0.2656 0.1534 0.1084 ( 784 PWs) bands (ev): -15.6974 -15.6974 1.7230 1.7230 2.7293 2.7293 2.7486 2.7569 9.5177 9.5423 9.5423 9.6313 10.3225 10.3225 11.0822 11.1997 11.2435 11.2435 12.3438 12.3438 21.2053 21.2053 26.3083 26.3083 26.4498 26.4559 k = 0.2734 0.1579 0.1116 ( 778 PWs) bands (ev): -15.6870 -15.6870 1.6922 1.6922 2.7328 2.7328 2.7522 2.7605 9.5213 9.5441 9.5441 9.6357 10.2901 10.2901 11.0670 11.1852 11.2296 11.2296 12.4680 12.4680 21.0282 21.0282 26.2877 26.2877 26.4266 26.4330 k = 0.2812 0.1624 0.1148 ( 778 PWs) bands (ev): -15.6768 -15.6768 1.6623 1.6623 2.7362 2.7362 2.7557 2.7639 9.5255 9.5462 9.5462 9.6405 10.2568 10.2568 11.0515 11.1702 11.2152 11.2152 12.5941 12.5941 20.8529 20.8529 26.2658 26.2658 26.4023 26.4088 k = 0.2891 0.1669 0.1180 ( 778 PWs) bands (ev): -15.6666 -15.6666 1.6332 1.6332 2.7395 2.7395 2.7591 2.7672 9.5304 9.5487 9.5487 9.6457 10.2232 10.2232 11.0357 11.1547 11.2005 11.2005 12.7221 12.7221 20.6796 20.6796 26.2429 26.2429 26.3769 26.3837 k = 0.2969 0.1714 0.1212 ( 778 PWs) bands (ev): -15.6565 -15.6565 1.6051 1.6051 2.7428 2.7428 2.7624 2.7705 9.5358 9.5514 9.5514 9.6512 10.1894 10.1894 11.0197 11.1388 11.1855 11.1855 12.8517 12.8517 20.5082 20.5082 26.2192 26.2192 26.3506 26.3576 k = 0.3047 0.1759 0.1244 ( 775 PWs) bands (ev): -15.6465 -15.6465 1.5780 1.5780 2.7460 2.7460 2.7657 2.7736 9.5418 9.5545 9.5545 9.6572 10.1557 10.1557 11.0036 11.1225 11.1703 11.1703 12.9826 12.9826 20.3388 20.3388 26.1947 26.1947 26.3238 26.3309 k = 0.3125 0.1804 0.1276 ( 775 PWs) bands (ev): -15.6367 -15.6367 1.5519 1.5519 2.7491 2.7491 2.7689 2.7767 9.5484 9.5577 9.5577 9.6635 10.1224 10.1224 10.9873 11.1058 11.1548 11.1548 13.1146 13.1146 20.1713 20.1713 26.1697 26.1697 26.2965 26.3037 k = 0.3203 0.1849 0.1308 ( 769 PWs) bands (ev): -15.6271 -15.6271 1.5268 1.5268 2.7521 2.7521 2.7720 2.7797 9.5557 9.5612 9.5612 9.6702 10.0897 10.0897 10.9711 11.0889 11.1393 11.1393 13.2476 13.2476 20.0058 20.0058 26.1444 26.1444 26.2688 26.2762 k = 0.3281 0.1894 0.1340 ( 769 PWs) bands (ev): -15.6178 -15.6178 1.5026 1.5026 2.7550 2.7550 2.7750 2.7825 9.5634 9.5647 9.5647 9.6771 10.0577 10.0577 10.9547 11.0716 11.1235 11.1235 13.3813 13.3813 19.8423 19.8423 26.1188 26.1188 26.2411 26.2485 k = 0.3359 0.1940 0.1371 ( 769 PWs) bands (ev): -15.6086 -15.6086 1.4796 1.4796 2.7578 2.7578 2.7779 2.7852 9.5681 9.5681 9.5717 9.6843 10.0266 10.0266 10.9383 11.0541 11.1077 11.1077 13.5157 13.5157 19.6807 19.6807 26.0932 26.0932 26.2135 26.2208 k = 0.3438 0.1985 0.1403 ( 769 PWs) bands (ev): -15.5997 -15.5997 1.4575 1.4575 2.7604 2.7604 2.7808 2.7878 9.5714 9.5714 9.5804 9.6917 9.9967 9.9967 10.9220 11.0363 11.0918 11.0918 13.6506 13.6506 19.5210 19.5210 26.0677 26.0677 26.1860 26.1933 k = 0.3516 0.2030 0.1435 ( 775 PWs) bands (ev): -15.5911 -15.5911 1.4366 1.4366 2.7630 2.7630 2.7835 2.7903 9.5743 9.5743 9.5894 9.6990 9.9682 9.9682 10.9059 11.0184 11.0760 11.0760 13.7858 13.7858 19.3633 19.3633 26.0425 26.0425 26.1589 26.1661 k = 0.3594 0.2075 0.1467 ( 775 PWs) bands (ev): -15.5828 -15.5828 1.4167 1.4167 2.7655 2.7655 2.7861 2.7927 9.5769 9.5769 9.5990 9.7066 9.9412 9.9412 10.8901 11.0005 11.0603 11.0603 13.9213 13.9213 19.2075 19.2075 26.0178 26.0178 26.1324 26.1395 k = 0.3672 0.2120 0.1499 ( 775 PWs) bands (ev): -15.5749 -15.5749 1.3979 1.3979 2.7678 2.7678 2.7886 2.7949 9.5790 9.5790 9.6090 9.7142 9.9161 9.9161 10.8746 10.9825 11.0448 11.0448 14.0569 14.0569 19.0536 19.0536 25.9936 25.9936 26.1066 26.1135 k = 0.3750 0.2165 0.1531 ( 775 PWs) bands (ev): -15.5672 -15.5672 1.3802 1.3802 2.7700 2.7700 2.7909 2.7970 9.5803 9.5803 9.6193 9.7218 9.8931 9.8931 10.8595 10.9645 11.0296 11.0296 14.1924 14.1924 18.9016 18.9016 25.9701 25.9701 26.0816 26.0883 k = 0.3828 0.2210 0.1563 ( 775 PWs) bands (ev): -15.5599 -15.5599 1.3636 1.3636 2.7721 2.7721 2.7932 2.7990 9.5807 9.5807 9.6299 9.7293 9.8723 9.8723 10.8449 10.9467 11.0146 11.0146 14.3278 14.3278 18.7515 18.7515 25.9474 25.9474 26.0575 26.0639 k = 0.3906 0.2255 0.1595 ( 778 PWs) bands (ev): -15.5530 -15.5530 1.3480 1.3480 2.7740 2.7740 2.7953 2.8007 9.5799 9.5799 9.6407 9.7366 9.8540 9.8540 10.8308 10.9290 11.0001 11.0001 14.4628 14.4628 18.6033 18.6033 25.9257 25.9257 26.0345 26.0406 k = 0.3984 0.2300 0.1627 ( 778 PWs) bands (ev): -15.5465 -15.5465 1.3336 1.3336 2.7759 2.7759 2.7973 2.8024 9.5780 9.5780 9.6516 9.7435 9.8383 9.8383 10.8176 10.9117 10.9860 10.9860 14.5974 14.5974 18.4571 18.4571 25.9050 25.9050 26.0126 26.0185 k = 0.4062 0.2345 0.1659 ( 772 PWs) bands (ev): -15.5404 -15.5404 1.3203 1.3203 2.7776 2.7776 2.7992 2.8040 9.5750 9.5750 9.6627 9.7503 9.8253 9.8253 10.8051 10.8947 10.9726 10.9726 14.7314 14.7314 18.3129 18.3129 25.8855 25.8855 25.9920 25.9975 k = 0.4141 0.2391 0.1690 ( 772 PWs) bands (ev): -15.5348 -15.5348 1.3080 1.3080 2.7792 2.7792 2.8010 2.8054 9.5706 9.5706 9.6737 9.7564 9.8149 9.8149 10.7936 10.8781 10.9598 10.9598 14.8644 14.8644 18.1709 18.1709 25.8672 25.8672 25.9728 25.9779 k = 0.4219 0.2436 0.1722 ( 772 PWs) bands (ev): -15.5295 -15.5295 1.2968 1.2968 2.7806 2.7806 2.8026 2.8067 9.5651 9.5651 9.6846 9.7619 9.8068 9.8068 10.7831 10.8621 10.9477 10.9477 14.9962 14.9962 18.0312 18.0312 25.8503 25.8503 25.9549 25.9597 k = 0.4297 0.2481 0.1754 ( 778 PWs) bands (ev): -15.5248 -15.5248 1.2867 1.2867 2.7819 2.7819 2.8041 2.8078 9.5589 9.5589 9.6952 9.7666 9.8008 9.8008 10.7736 10.8466 10.9364 10.9364 15.1264 15.1264 17.8942 17.8942 25.8347 25.8347 25.9386 25.9430 k = 0.4375 0.2526 0.1786 ( 778 PWs) bands (ev): -15.5205 -15.5205 1.2777 1.2777 2.7831 2.7831 2.8054 2.8087 9.5523 9.5523 9.7056 9.7707 9.7966 9.7966 10.7654 10.8319 10.9261 10.9261 15.2546 15.2546 17.7602 17.7602 25.8206 25.8206 25.9239 25.9278 k = 0.4453 0.2571 0.1818 ( 778 PWs) bands (ev): -15.5167 -15.5167 1.2697 1.2697 2.7841 2.7841 2.8067 2.8096 9.5457 9.5457 9.7157 9.7740 9.7939 9.7939 10.7586 10.8180 10.9167 10.9167 15.3798 15.3798 17.6300 17.6300 25.8080 25.8080 25.9108 25.9143 k = 0.4531 0.2616 0.1850 ( 781 PWs) bands (ev): -15.5134 -15.5134 1.2628 1.2628 2.7850 2.7850 2.8078 2.8103 9.5391 9.5391 9.7254 9.7763 9.7922 9.7922 10.7531 10.8051 10.9084 10.9084 15.5011 15.5011 17.5046 17.5046 25.7970 25.7970 25.8993 25.9024 k = 0.4609 0.2661 0.1882 ( 781 PWs) bands (ev): -15.5106 -15.5106 1.2570 1.2570 2.7857 2.7857 2.8087 2.8108 9.5332 9.5332 9.7344 9.7776 9.7913 9.7913 10.7491 10.7932 10.9013 10.9013 15.6168 15.6168 17.3855 17.3855 25.7876 25.7876 25.8897 25.8922 k = 0.4688 0.2706 0.1914 ( 781 PWs) bands (ev): -15.5082 -15.5082 1.2522 1.2522 2.7864 2.7864 2.8096 2.8113 9.5281 9.5281 9.7429 9.7780 9.7909 9.7909 10.7467 10.7824 10.8954 10.8954 15.7244 15.7244 17.2753 17.2753 25.7799 25.7799 25.8817 25.8838 k = 0.4766 0.2751 0.1946 ( 781 PWs) bands (ev): -15.5064 -15.5064 1.2485 1.2485 2.7868 2.7868 2.8103 2.8115 9.5239 9.5239 9.7506 9.7772 9.7909 9.7909 10.7458 10.7729 10.8907 10.8907 15.8198 15.8198 17.1778 17.1778 25.7738 25.7738 25.8756 25.8771 k = 0.4844 0.2797 0.1977 ( 778 PWs) bands (ev): -15.5051 -15.5051 1.2459 1.2459 2.7872 2.7872 2.8108 2.8117 9.5210 9.5210 9.7575 9.7754 9.7910 9.7910 10.7465 10.7647 10.8873 10.8873 15.8973 15.8973 17.0990 17.0990 25.7695 25.7695 25.8712 25.8723 k = 0.4922 0.2842 0.2009 ( 778 PWs) bands (ev): -15.5043 -15.5043 1.2443 1.2443 2.7874 2.7874 2.8113 2.8117 9.5191 9.5191 9.7635 9.7725 9.7911 9.7911 10.7487 10.7579 10.8853 10.8853 15.9490 15.9490 17.0464 17.0464 25.7669 25.7669 25.8687 25.8693 k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev): -15.5041 -15.5041 1.2438 1.2438 2.7875 2.7875 2.8115 2.8115 9.5184 9.5184 9.7685 9.7685 9.7911 9.7911 10.7525 10.7525 10.8846 10.8846 15.9674 15.9674 17.0277 17.0277 25.7660 25.7660 25.8681 25.8681 k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev): -15.5041 -15.5041 1.2438 1.2438 2.7875 2.7875 2.8115 2.8115 9.5184 9.5184 9.7685 9.7685 9.7911 9.7911 10.7525 10.7525 10.8846 10.8846 15.9674 15.9674 17.0277 17.0277 25.7660 25.7660 25.8681 25.8681 k = 0.5027 0.2808 0.2086 ( 778 PWs) bands (ev): -15.5041 -15.5038 1.2441 1.2446 2.7870 2.7873 2.8112 2.8112 9.5135 9.5225 9.7683 9.7683 9.7869 9.7946 10.7522 10.7522 10.8830 10.8858 15.9695 15.9711 17.0282 17.0283 25.7581 25.7618 25.8623 25.8625 k = 0.5054 0.2730 0.2130 ( 778 PWs) bands (ev): -15.5039 -15.5033 1.2456 1.2466 2.7857 2.7864 2.8103 2.8104 9.5077 9.5257 9.7676 9.7679 9.7822 9.7973 10.7510 10.7513 10.8811 10.8866 15.9774 15.9806 17.0299 17.0300 25.7346 25.7425 25.8485 25.8494 k = 0.5082 0.2651 0.2174 ( 780 PWs) bands (ev): -15.5035 -15.5027 1.2483 1.2496 2.7833 2.7845 2.8089 2.8092 9.5009 9.5280 9.7660 9.7673 9.7773 9.7994 10.7490 10.7497 10.8790 10.8867 15.9910 15.9959 17.0326 17.0328 25.6894 25.7012 25.8348 25.8363 k = 0.5109 0.2573 0.2219 ( 782 PWs) bands (ev): -15.5029 -15.5018 1.2520 1.2539 2.7795 2.7814 2.8074 2.8080 9.4930 9.5295 9.7623 9.7664 9.7735 9.8008 10.7459 10.7477 10.8768 10.8863 16.0104 16.0169 17.0364 17.0367 25.6213 25.6357 25.8252 25.8267 k = 0.5136 0.2495 0.2263 ( 782 PWs) bands (ev): -15.5020 -15.5006 1.2569 1.2592 2.7743 2.7768 2.8062 2.8071 9.4842 9.5301 9.7560 9.7653 9.7714 9.8016 10.7419 10.7453 10.8746 10.8854 16.0355 16.0435 17.0413 17.0416 25.5334 25.5495 25.8187 25.8196 k = 0.5163 0.2416 0.2307 ( 782 PWs) bands (ev): -15.5010 -15.4993 1.2629 1.2657 2.7673 2.7706 2.8054 2.8067 9.4742 9.5298 9.7480 9.7641 9.7702 9.8019 10.7368 10.7425 10.8726 10.8838 16.0661 16.0756 17.0473 17.0476 25.4293 25.4466 25.8135 25.8138 k = 0.5190 0.2338 0.2352 ( 783 PWs) bands (ev): -15.4997 -15.4978 1.2700 1.2732 2.7588 2.7626 2.8050 2.8066 9.4630 9.5283 9.7389 9.7628 9.7693 9.8017 10.7305 10.7393 10.8708 10.8817 16.1021 16.1132 17.0543 17.0547 25.3122 25.3303 25.8086 25.8088 k = 0.5217 0.2259 0.2396 ( 783 PWs) bands (ev): -15.4982 -15.4960 1.2782 1.2818 2.7486 2.7531 2.8050 2.8069 9.4506 9.5257 9.7290 9.7613 9.7687 9.8011 10.7232 10.7357 10.8692 10.8791 16.1436 16.1561 17.0625 17.0629 25.1847 25.2032 25.8034 25.8043 k = 0.5245 0.2181 0.2441 ( 781 PWs) bands (ev): -15.4965 -15.4941 1.2875 1.2915 2.7371 2.7421 2.8053 2.8074 9.4370 9.5218 9.7187 9.7598 9.7682 9.8003 10.7149 10.7319 10.8679 10.8760 16.1902 16.2041 17.0716 17.0721 25.0489 25.0676 25.7981 25.7995 k = 0.5272 0.2102 0.2485 ( 779 PWs) bands (ev): -15.4946 -15.4919 1.2978 1.3023 2.7242 2.7297 2.8059 2.8082 9.4221 9.5165 9.7082 9.7582 9.7680 9.7993 10.7056 10.7277 10.8668 10.8725 16.2418 16.2571 17.0819 17.0824 24.9065 24.9252 25.7927 25.7945 k = 0.5299 0.2024 0.2529 ( 781 PWs) bands (ev): -15.4926 -15.4896 1.3092 1.3140 2.7099 2.7160 2.8066 2.8091 9.4058 9.5093 9.6976 9.7566 9.7678 9.7980 10.6954 10.7232 10.8658 10.8685 16.2983 16.3150 17.0931 17.0937 24.7591 24.7774 25.7869 25.7891 k = 0.5326 0.1945 0.2574 ( 783 PWs) bands (ev): -15.4903 -15.4871 1.3215 1.3267 2.6945 2.7011 2.8076 2.8102 9.3883 9.5003 9.6873 9.7548 9.7679 9.7965 10.6844 10.7185 10.8642 10.8650 16.3595 16.3775 17.1054 17.1060 24.6078 24.6256 25.7808 25.7835 k = 0.5353 0.1867 0.2618 ( 784 PWs) bands (ev): -15.4879 -15.4844 1.3347 1.3403 2.6781 2.6851 2.8086 2.8115 9.3695 9.4892 9.6775 9.7531 9.7682 9.7950 10.6728 10.7135 10.8595 10.8643 16.4252 16.4444 17.1187 17.1193 24.4536 24.4707 25.7744 25.7774 k = 0.5380 0.1789 0.2662 ( 782 PWs) bands (ev): -15.4853 -15.4816 1.3489 1.3548 2.6606 2.6682 2.8098 2.8128 9.3495 9.4760 9.6684 9.7514 9.7688 9.7936 10.6607 10.7082 10.8547 10.8637 16.4952 16.5155 17.1331 17.1338 24.2973 24.3136 25.7677 25.7710 k = 0.5408 0.1710 0.2707 ( 784 PWs) bands (ev): -15.4826 -15.4787 1.3640 1.3702 2.6421 2.6503 2.8111 2.8142 9.3283 9.4605 9.6601 9.7497 9.7696 9.7920 10.6481 10.7027 10.8495 10.8629 16.5692 16.5906 17.1486 17.1493 24.1397 24.1551 25.7606 25.7643 k = 0.5435 0.1632 0.2751 ( 782 PWs) bands (ev): -15.4797 -15.4755 1.3799 1.3863 2.6229 2.6316 2.8125 2.8158 9.3061 9.4430 9.6527 9.7480 9.7708 9.7906 10.6352 10.6970 10.8442 10.8622 16.6470 16.6693 17.1652 17.1660 23.9814 23.9957 25.7532 25.7572 k = 0.5462 0.1553 0.2796 ( 783 PWs) bands (ev): -15.4767 -15.4723 1.3965 1.4033 2.6029 2.6120 2.8139 2.8173 9.2829 9.4235 9.6462 9.7464 9.7724 9.7893 10.6219 10.6911 10.8386 10.8612 16.7281 16.7512 17.1832 17.1842 23.8227 23.8360 25.7456 25.7499 k = 0.5489 0.1475 0.2840 ( 779 PWs) bands (ev): -15.4735 -15.4689 1.4139 1.4209 2.5822 2.5919 2.8154 2.8190 9.2588 9.4023 9.6404 9.7448 9.7742 9.7881 10.6084 10.6850 10.8329 10.8602 16.8121 16.8358 17.2027 17.2040 23.6642 23.6763 25.7377 25.7422 k = 0.5516 0.1396 0.2884 ( 779 PWs) bands (ev): -15.4703 -15.4655 1.4320 1.4392 2.5608 2.5711 2.8170 2.8207 9.2339 9.3795 9.6353 9.7432 9.7764 9.7870 10.5947 10.6788 10.8270 10.8589 16.8982 16.9221 17.2243 17.2263 23.5062 23.5170 25.7295 25.7343 k = 0.5543 0.1318 0.2929 ( 781 PWs) bands (ev): -15.4669 -15.4619 1.4506 1.4580 2.5390 2.5498 2.8186 2.8225 9.2083 9.3552 9.6308 9.7416 9.7787 9.7859 10.5808 10.6723 10.8210 10.8575 16.9851 17.0083 17.2491 17.2525 23.3489 23.3584 25.7211 25.7261 k = 0.5571 0.1239 0.2973 ( 781 PWs) bands (ev): -15.4635 -15.4583 1.4698 1.4773 2.5168 2.5282 2.8203 2.8243 9.1822 9.3300 9.6268 9.7401 9.7814 9.7849 10.5669 10.6658 10.8147 10.8557 17.0699 17.0908 17.2796 17.2862 23.1927 23.2008 25.7124 25.7176 k = 0.5598 0.1161 0.3017 ( 781 PWs) bands (ev): -15.4599 -15.4546 1.4894 1.4970 2.4943 2.5063 2.8220 2.8261 9.1557 9.3039 9.6234 9.7388 9.7840 9.7844 10.5529 10.6592 10.8083 10.8536 17.1470 17.1626 17.3214 17.3340 23.0377 23.0444 25.7036 25.7089 k = 0.5625 0.1083 0.3062 ( 779 PWs) bands (ev): -15.4564 -15.4508 1.5094 1.5169 2.4717 2.4843 2.8237 2.8279 9.1290 9.2773 9.6204 9.7375 9.7832 9.7877 10.5390 10.6526 10.8018 10.8513 17.2084 17.2169 17.3822 17.4025 22.8843 22.8895 25.6945 25.7000 k = 0.5652 0.1004 0.3106 ( 779 PWs) bands (ev): -15.4527 -15.4470 1.5296 1.5371 2.4490 2.4623 2.8254 2.8297 9.1021 9.2501 9.6177 9.7363 9.7824 9.7910 10.5251 10.6460 10.7950 10.8486 17.2523 17.2557 17.4633 17.4893 22.7324 22.7362 25.6853 25.6910 k = 0.5679 0.0926 0.3151 ( 776 PWs) bands (ev): -15.4490 -15.4432 1.5499 1.5572 2.4265 2.4405 2.8272 2.8316 9.0753 9.2229 9.6155 9.7353 9.7816 9.7946 10.5113 10.6395 10.7882 10.8456 17.2853 17.2859 17.5582 17.5874 22.5824 22.5847 25.6760 25.6817 k = 0.5707 0.0847 0.3195 ( 776 PWs) bands (ev): -15.4453 -15.4394 1.5701 1.5773 2.4043 2.4190 2.8289 2.8334 9.0485 9.1954 9.6137 9.7345 9.7808 9.7982 10.4975 10.6330 10.7811 10.8422 17.3120 17.3128 17.6609 17.6920 22.4344 22.4351 25.6665 25.6724 k = 0.5734 0.0769 0.3239 ( 777 PWs) bands (ev): -15.4417 -15.4355 1.5901 1.5971 2.3824 2.3980 2.8307 2.8352 9.0220 9.1681 9.6122 9.7337 9.7799 9.8018 10.4839 10.6265 10.7738 10.8385 17.3359 17.3376 17.7685 17.8008 22.2877 22.2885 25.6570 25.6629 k = 0.5761 0.0690 0.3284 ( 777 PWs) bands (ev): -15.4380 -15.4317 1.6098 1.6164 2.3613 2.3776 2.8324 2.8369 8.9959 9.1411 9.6110 9.7331 9.7789 9.8054 10.4706 10.6203 10.7663 10.8344 17.3584 17.3608 17.8794 17.9127 22.1426 22.1449 25.6474 25.6533 k = 0.5788 0.0612 0.3328 ( 777 PWs) bands (ev): -15.4343 -15.4279 1.6289 1.6351 2.3410 2.3582 2.8340 2.8387 8.9704 9.1146 9.6103 9.7326 9.7779 9.8090 10.4574 10.6142 10.7586 10.8300 17.3800 17.3829 17.9930 18.0271 21.9999 22.0037 25.6377 25.6437 k = 0.5815 0.0533 0.3372 ( 777 PWs) bands (ev): -15.4307 -15.4242 1.6471 1.6528 2.3218 2.3400 2.8357 2.8404 8.9456 9.0886 9.6098 9.7322 9.7769 9.8125 10.4446 10.6083 10.7508 10.8252 17.4008 17.4042 18.1086 18.1434 21.8599 21.8653 25.6279 25.6339 k = 0.5842 0.0455 0.3417 ( 779 PWs) bands (ev): -15.4271 -15.4205 1.6643 1.6693 2.3039 2.3232 2.8372 2.8420 8.9215 9.0633 9.6098 9.7318 9.7759 9.8157 10.4322 10.6027 10.7427 10.8200 17.4207 17.4245 18.2259 18.2613 21.7228 21.7296 25.6182 25.6242 k = 0.5870 0.0377 0.3461 ( 779 PWs) bands (ev): -15.4236 -15.4169 1.6800 1.6843 2.2879 2.3082 2.8388 2.8435 8.8983 9.0389 9.6101 9.7313 9.7750 9.8188 10.4202 10.5974 10.7345 10.8145 17.4396 17.4439 18.3445 18.3805 21.5887 21.5970 25.6085 25.6144 k = 0.5897 0.0298 0.3506 ( 781 PWs) bands (ev): -15.4202 -15.4134 1.6940 1.6975 2.2738 2.2953 2.8403 2.8450 8.8762 9.0154 9.6108 9.7305 9.7744 9.8216 10.4087 10.5925 10.7260 10.8087 17.4574 17.4621 18.4643 18.5007 21.4579 21.4677 25.5987 25.6046 k = 0.5924 0.0220 0.3550 ( 779 PWs) bands (ev): -15.4168 -15.4100 1.7059 1.7086 2.2621 2.2847 2.8417 2.8465 8.8552 8.9931 9.6118 9.7294 9.7741 9.8240 10.3979 10.5880 10.7174 10.8025 17.4739 17.4790 18.5850 18.6217 21.3308 21.3420 25.5890 25.5949 k = 0.5951 0.0141 0.3594 ( 779 PWs) bands (ev): -15.4136 -15.4068 1.7153 1.7173 2.2531 2.2768 2.8431 2.8478 8.8354 8.9719 9.6132 9.7278 9.7743 9.8261 10.3878 10.5839 10.7087 10.7961 17.4888 17.4942 18.7062 18.7433 21.2076 21.2202 25.5793 25.5851 k = 0.5978 0.0063 0.3639 ( 779 PWs) bands (ev): -15.4105 -15.4036 1.7221 1.7233 2.2471 2.2718 2.8443 2.8491 8.8169 8.9520 9.6149 9.7255 9.7752 9.8278 10.3783 10.5803 10.6998 10.7893 17.5017 17.5075 18.8279 18.8653 21.0887 21.1027 25.5697 25.5754 k = 0.6005-0.0016 0.3683 ( 779 PWs) bands (ev): -15.4075 -15.4007 1.7261 1.7264 2.2442 2.2699 2.8455 2.8503 8.7999 8.9335 9.6168 9.7224 9.7768 9.8289 10.3697 10.5771 10.6908 10.7823 17.5124 17.5185 18.9497 18.9873 20.9746 20.9898 25.5601 25.5657 k = 0.6033-0.0094 0.3727 ( 775 PWs) bands (ev): -15.4047 -15.3978 1.7268 1.7270 2.2446 2.2710 2.8466 2.8513 8.7844 8.9165 9.6191 9.7187 9.7792 9.8298 10.3622 10.5746 10.6817 10.7751 17.5204 17.5267 19.0714 19.1091 20.8657 20.8821 25.5506 25.5561 k = 0.6060-0.0173 0.3772 ( 775 PWs) bands (ev): -15.4021 -15.3952 1.7243 1.7250 2.2482 2.2751 2.8476 2.8523 8.7703 8.9009 9.6216 9.7142 9.7822 9.8300 10.3554 10.5724 10.6725 10.7676 17.5253 17.5318 19.1927 19.2303 20.7626 20.7802 25.5412 25.5466 k = 0.6087-0.0251 0.3816 ( 777 PWs) bands (ev): -15.3997 -15.3928 1.7193 1.7203 2.2547 2.2821 2.8485 2.8531 8.7579 8.8869 9.6243 9.7089 9.7860 9.8298 10.3497 10.5708 10.6633 10.7599 17.5265 17.5331 19.3132 19.3508 20.6661 20.6846 25.5319 25.5371 k = 0.6114-0.0329 0.3861 ( 778 PWs) bands (ev): -15.3974 -15.3905 1.7118 1.7130 2.2639 2.2916 2.8492 2.8538 8.7471 8.8745 9.6271 9.7031 9.7903 9.8292 10.3451 10.5696 10.6542 10.7521 17.5236 17.5301 19.4326 19.4698 20.5768 20.5964 25.5227 25.5278 k = 0.6141-0.0408 0.3905 ( 774 PWs) bands (ev): -15.3954 -15.3885 1.7024 1.7036 2.2756 2.3033 2.8499 2.8544 8.7380 8.8638 9.6302 9.6967 9.7954 9.8283 10.3416 10.5690 10.6453 10.7442 17.5159 17.5222 19.5501 19.5868 20.4959 20.5165 25.5137 25.5186 k = 0.6168-0.0486 0.3949 ( 774 PWs) bands (ev): -15.3936 -15.3868 1.6912 1.6924 2.2892 2.3169 2.8505 2.8549 8.7306 8.8547 9.6332 9.6900 9.8009 9.8272 10.3391 10.5688 10.6365 10.7362 17.5029 17.5089 19.6649 19.7005 20.4248 20.4466 25.5047 25.5095 k = 0.6196-0.0565 0.3994 ( 778 PWs) bands (ev): -15.3920 -15.3852 1.6786 1.6798 2.3045 2.3320 2.8509 2.8553 8.7248 8.8472 9.6361 9.6830 9.8067 9.8259 10.3376 10.5687 10.6280 10.7281 17.4841 17.4896 19.7750 19.8090 20.3656 20.3891 25.4959 25.5005 k = 0.6223-0.0643 0.4038 ( 780 PWs) bands (ev): -15.3907 -15.3840 1.6649 1.6660 2.3211 2.3484 2.8512 2.8555 8.7208 8.8413 9.6390 9.6757 9.8130 9.8247 10.3372 10.5688 10.6201 10.7200 17.4589 17.4638 19.8768 19.9077 20.3225 20.3487 25.4872 25.4916 k = 0.6250-0.0722 0.4082 ( 786 PWs) bands (ev): -15.3897 -15.3830 1.6505 1.6514 2.3386 2.3656 2.8513 2.8555 8.7184 8.8370 9.6417 9.6684 9.8197 9.8237 10.3378 10.5686 10.6132 10.7119 17.4269 17.4310 19.9624 19.9878 20.3037 20.3347 25.4787 25.4829 k = 0.6250-0.0722 0.4082 ( 786 PWs) bands (ev): -15.3897 -15.3830 1.6505 1.6514 2.3386 2.3656 2.8513 2.8555 8.7184 8.8370 9.6417 9.6684 9.8197 9.8237 10.3378 10.5686 10.6132 10.7119 17.4269 17.4310 19.9624 19.9878 20.3037 20.3347 25.4787 25.4829 k = 0.6204-0.0695 0.4158 ( 776 PWs) bands (ev): -15.3896 -15.3829 1.6510 1.6520 2.3384 2.3654 2.8510 2.8554 8.7187 8.8371 9.6326 9.6765 9.8082 9.8355 10.3375 10.5669 10.6140 10.7141 17.4282 17.4323 19.9640 19.9894 20.3042 20.3353 25.4536 25.4694 k = 0.6157-0.0668 0.4234 ( 776 PWs) bands (ev): -15.3895 -15.3828 1.6526 1.6536 2.3376 2.3645 2.8498 2.8550 8.7190 8.8371 9.6156 9.6894 9.7951 9.8484 10.3364 10.5613 10.6159 10.7196 17.4320 17.4362 19.9688 19.9939 20.3058 20.3372 25.3912 25.4206 k = 0.6111-0.0642 0.4309 ( 774 PWs) bands (ev): -15.3894 -15.3827 1.6551 1.6562 2.3364 2.3631 2.8480 2.8542 8.7195 8.8372 9.5966 9.7005 9.7836 9.8608 10.3345 10.5531 10.6191 10.7279 17.4384 17.4426 19.9768 20.0015 20.3085 20.3403 25.2988 25.3399 k = 0.6065-0.0615 0.4385 ( 774 PWs) bands (ev): -15.3892 -15.3824 1.6586 1.6599 2.3345 2.3612 2.8456 2.8529 8.7203 8.8372 9.5766 9.7064 9.7764 9.8724 10.3320 10.5428 10.6233 10.7382 17.4472 17.4515 19.9880 20.0121 20.3123 20.3447 25.1832 25.2340 k = 0.6019-0.0588 0.4460 ( 774 PWs) bands (ev): -15.3889 -15.3821 1.6632 1.6646 2.3321 2.3586 2.8427 2.8513 8.7212 8.8372 9.5561 9.7042 9.7761 9.8833 10.3291 10.5312 10.6285 10.7498 17.4583 17.4628 20.0022 20.0254 20.3173 20.3506 25.0506 25.1092 k = 0.5972-0.0561 0.4536 ( 774 PWs) bands (ev): -15.3886 -15.3818 1.6687 1.6703 2.3291 2.3554 2.8394 2.8492 8.7222 8.8371 9.5353 9.6946 9.7820 9.8934 10.3258 10.5189 10.6344 10.7620 17.4717 17.4764 20.0194 20.0416 20.3234 20.3578 24.9059 24.9708 k = 0.5926-0.0535 0.4612 ( 776 PWs) bands (ev): -15.3882 -15.3814 1.6751 1.6769 2.3255 2.3515 2.8356 2.8467 8.7234 8.8369 9.5145 9.6806 9.7913 9.9027 10.3222 10.5061 10.6408 10.7745 17.4872 17.4921 20.0395 20.0603 20.3309 20.3666 24.7527 24.8230 k = 0.5880-0.0508 0.4687 ( 772 PWs) bands (ev): -15.3878 -15.3809 1.6825 1.6846 2.3212 2.3470 2.8316 2.8440 8.7247 8.8366 9.4937 9.6645 9.8018 9.9112 10.3187 10.4933 10.6478 10.7871 17.5047 17.5097 20.0624 20.0814 20.3397 20.3772 24.5940 24.6687 k = 0.5833-0.0481 0.4763 ( 772 PWs) bands (ev): -15.3873 -15.3804 1.6907 1.6932 2.3163 2.3419 2.8274 2.8409 8.7260 8.8360 9.4732 9.6474 9.8125 9.9188 10.3152 10.4805 10.6550 10.7994 17.5239 17.5292 20.0877 20.1045 20.3500 20.3896 24.4317 24.5104 k = 0.5787-0.0454 0.4838 ( 772 PWs) bands (ev): -15.3868 -15.3798 1.6998 1.7026 2.3107 2.3360 2.8229 2.8375 8.7273 8.8352 9.4530 9.6299 9.8229 9.9257 10.3119 10.4678 10.6623 10.8114 17.5448 17.5503 20.1152 20.1294 20.3621 20.4041 24.2674 24.3496 k = 0.5741-0.0428 0.4914 ( 772 PWs) bands (ev): -15.3863 -15.3792 1.7098 1.7130 2.3044 2.3294 2.8183 2.8340 8.7286 8.8342 9.4334 9.6124 9.8329 9.9318 10.3088 10.4555 10.6696 10.8229 17.5671 17.5728 20.1444 20.1556 20.3762 20.4210 24.1024 24.1879 k = 0.5694-0.0401 0.4990 ( 770 PWs) bands (ev): -15.3857 -15.3786 1.7204 1.7241 2.2974 2.3221 2.8137 2.8304 8.7299 8.8328 9.4145 9.5952 9.8423 9.9373 10.3060 10.4435 10.6767 10.8338 17.5905 17.5965 20.1748 20.1826 20.3926 20.4406 23.9379 24.0264 k = 0.5648-0.0374 0.5065 ( 772 PWs) bands (ev): -15.3851 -15.3779 1.7318 1.7360 2.2895 2.3140 2.8091 2.8267 8.7310 8.8310 9.3966 9.5785 9.8509 9.9420 10.3036 10.4318 10.6836 10.8441 17.6148 17.6211 20.2057 20.2100 20.4119 20.4631 23.7746 23.8661 k = 0.5602-0.0347 0.5141 ( 768 PWs) bands (ev): -15.3845 -15.3772 1.7438 1.7486 2.2810 2.3053 2.8047 2.8231 8.7320 8.8289 9.3797 9.5626 9.8589 9.9461 10.3017 10.4207 10.6902 10.8537 17.6398 17.6465 20.2355 20.2379 20.4344 20.4888 23.6136 23.7079 k = 0.5556-0.0321 0.5217 ( 768 PWs) bands (ev): -15.3839 -15.3766 1.7563 1.7618 2.2717 2.2958 2.8003 2.8196 8.7328 8.8265 9.3639 9.5475 9.8661 9.9496 10.3002 10.4101 10.6964 10.8625 17.6652 17.6723 20.2623 20.2669 20.4606 20.5178 23.4556 23.5528 k = 0.5509-0.0294 0.5292 ( 768 PWs) bands (ev): -15.3833 -15.3759 1.7693 1.7755 2.2616 2.2858 2.7962 2.8162 8.7334 8.8236 9.3493 9.5334 9.8726 9.9525 10.2991 10.3999 10.7022 10.8706 17.6908 17.6983 20.2875 20.2949 20.4907 20.5498 23.3016 23.4017 k = 0.5463-0.0267 0.5368 ( 768 PWs) bands (ev): -15.3827 -15.3752 1.7827 1.7897 2.2509 2.2752 2.7924 2.8129 8.7337 8.8205 9.3361 9.5205 9.8782 9.9550 10.2986 10.3903 10.7075 10.8779 17.7161 17.7242 20.3113 20.3209 20.5244 20.5843 23.1525 23.2556 k = 0.5417-0.0241 0.5443 ( 769 PWs) bands (ev): -15.3821 -15.3746 1.7962 1.8041 2.2395 2.2642 2.7889 2.8099 8.7338 8.8171 9.3242 9.5088 9.8831 9.9570 10.2984 10.3812 10.7123 10.8844 17.7410 17.7497 20.3337 20.3449 20.5608 20.6206 23.0096 23.1157 k = 0.5370-0.0214 0.5519 ( 769 PWs) bands (ev): -15.3815 -15.3740 1.8097 1.8188 2.2278 2.2529 2.7857 2.8072 8.7336 8.8136 9.3138 9.4985 9.8873 9.9587 10.2988 10.3727 10.7165 10.8901 17.7651 17.7744 20.3548 20.3671 20.5989 20.6576 22.8740 22.9833 k = 0.5324-0.0187 0.5595 ( 771 PWs) bands (ev): -15.3810 -15.3734 1.8230 1.8333 2.2157 2.2416 2.7829 2.8048 8.7330 8.8101 9.3048 9.4895 9.8906 9.9600 10.2994 10.3648 10.7202 10.8950 17.7881 17.7980 20.3747 20.3878 20.6371 20.6940 22.7475 22.8599 k = 0.5278-0.0160 0.5670 ( 771 PWs) bands (ev): -15.3805 -15.3728 1.8359 1.8475 2.2035 2.2303 2.7805 2.8027 8.7323 8.8066 9.2972 9.4819 9.8934 9.9612 10.3005 10.3577 10.7234 10.8992 17.8095 17.8201 20.3934 20.4071 20.6737 20.7283 22.6317 22.7473 k = 0.5231-0.0134 0.5746 ( 771 PWs) bands (ev): -15.3800 -15.3723 1.8480 1.8611 2.1916 2.2196 2.7785 2.8009 8.7314 8.8034 9.2909 9.4757 9.8955 9.9621 10.3019 10.3512 10.7260 10.9026 17.8291 17.8403 20.4108 20.4252 20.7071 20.7590 22.5287 22.6476 k = 0.5185-0.0107 0.5821 ( 772 PWs) bands (ev): -15.3796 -15.3719 1.8590 1.8736 2.1805 2.2098 2.7768 2.7994 8.7304 8.8005 9.2860 9.4708 9.8969 9.9627 10.3034 10.3456 10.7281 10.9053 17.8463 17.8581 20.4266 20.4418 20.7353 20.7846 22.4409 22.5627 k = 0.5139-0.0080 0.5897 ( 772 PWs) bands (ev): -15.3793 -15.3716 1.8684 1.8845 2.1706 2.2012 2.7756 2.7984 8.7293 8.7981 9.2823 9.4671 9.8979 9.9632 10.3050 10.3408 10.7297 10.9074 17.8606 17.8730 20.4404 20.4566 20.7568 20.8038 22.3705 22.4948 k = 0.5093-0.0053 0.5973 ( 772 PWs) bands (ev): -15.3791 -15.3713 1.8756 1.8930 2.1627 2.1945 2.7748 2.7976 8.7284 8.7963 9.2797 9.4646 9.8985 9.9636 10.3065 10.3372 10.7308 10.9088 17.8716 17.8844 20.4516 20.4688 20.7709 20.8163 22.3194 22.4456 k = 0.5046-0.0027 0.6048 ( 772 PWs) bands (ev): -15.3789 -15.3711 1.8803 1.8986 2.1575 2.1902 2.7743 2.7972 8.7278 8.7952 9.2783 9.4632 9.8988 9.9638 10.3075 10.3348 10.7314 10.9096 17.8787 17.8917 20.4592 20.4773 20.7777 20.8224 22.2887 22.4162 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -15.3789 -15.3711 1.8819 1.9006 2.1557 2.1887 2.7741 2.7970 8.7275 8.7948 9.2778 9.4628 9.8989 9.9638 10.3079 10.3340 10.7316 10.9099 17.8812 17.8943 20.4620 20.4805 20.7793 20.8239 22.2787 22.4065 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -15.3789 -15.3711 1.8819 1.9006 2.1557 2.1887 2.7741 2.7970 8.7275 8.7948 9.2778 9.4628 9.8989 9.9638 10.3079 10.3340 10.7316 10.9099 17.8812 17.8943 20.4620 20.4805 20.7793 20.8239 22.2787 22.4065 k = 0.5000 0.0054 0.6047 ( 772 PWs) bands (ev): -15.3790 -15.3712 1.8820 1.9006 2.1553 2.1883 2.7743 2.7972 8.7280 8.7955 9.2782 9.4632 9.8987 9.9637 10.3071 10.3356 10.7316 10.9099 17.8800 17.8931 20.4586 20.4768 20.7722 20.8173 22.2927 22.4200 k = 0.5000 0.0109 0.5970 ( 772 PWs) bands (ev): -15.3793 -15.3716 1.8821 1.9007 2.1543 2.1874 2.7749 2.7977 8.7293 8.7978 9.2796 9.4643 9.8982 9.9634 10.3052 10.3396 10.7318 10.9098 17.8764 17.8894 20.4466 20.4633 20.7545 20.8005 22.3333 22.4593 k = 0.5000 0.0163 0.5893 ( 772 PWs) bands (ev): -15.3799 -15.3721 1.8823 1.9007 2.1528 2.1858 2.7758 2.7986 8.7316 8.8016 9.2818 9.4662 9.8974 9.9628 10.3031 10.3454 10.7320 10.9098 17.8705 17.8832 20.4212 20.4338 20.7363 20.7810 22.3970 22.5211 k = 0.5000 0.0218 0.5816 ( 772 PWs) bands (ev): -15.3807 -15.3729 1.8823 1.9006 2.1508 2.1838 2.7772 2.7998 8.7348 8.8068 9.2849 9.4689 9.8963 9.9620 10.3012 10.3524 10.7323 10.9097 17.8623 17.8748 20.3760 20.3830 20.7284 20.7683 22.4793 22.6012 k = 0.5000 0.0272 0.5739 ( 770 PWs) bands (ev): -15.3817 -15.3740 1.8821 1.9001 2.1487 2.1816 2.7788 2.8013 8.7390 8.8135 9.2889 9.4723 9.8949 9.9609 10.2999 10.3603 10.7328 10.9096 17.8520 17.8641 20.3051 20.3141 20.7354 20.7688 22.5757 22.6957 k = 0.5000 0.0327 0.5662 ( 768 PWs) bands (ev): -15.3829 -15.3752 1.8816 1.8990 2.1468 2.1795 2.7807 2.8030 8.7442 8.8216 9.2937 9.4764 9.8932 9.9595 10.2994 10.3689 10.7334 10.9095 17.8396 17.8513 20.2133 20.2293 20.7559 20.7834 22.6827 22.8010 k = 0.5000 0.0381 0.5585 ( 774 PWs) bands (ev): -15.3844 -15.3767 1.8802 1.8970 2.1453 2.1775 2.7827 2.8049 8.7503 8.8309 9.2992 9.4810 9.8912 9.9577 10.2996 10.3779 10.7339 10.9093 17.8253 17.8365 20.1085 20.1306 20.7872 20.8100 22.7974 22.9142 k = 0.5000 0.0436 0.5508 ( 772 PWs) bands (ev): -15.3860 -15.3784 1.8780 1.8939 2.1446 2.1763 2.7851 2.8070 8.7576 8.8417 9.3055 9.4863 9.8891 9.9555 10.3009 10.3877 10.7346 10.9091 17.8093 17.8200 19.9950 20.0218 20.8274 20.8468 22.9175 23.0332 k = 0.5000 0.0490 0.5430 ( 772 PWs) bands (ev): -15.3879 -15.3803 1.8747 1.8894 2.1452 2.1759 2.7875 2.8091 8.7659 8.8536 9.3126 9.4922 9.8867 9.9530 10.3032 10.3979 10.7354 10.9088 17.7917 17.8018 19.8757 19.9059 20.8749 20.8920 23.0415 23.1564 k = 0.5000 0.0545 0.5353 ( 772 PWs) bands (ev): -15.3900 -15.3823 1.8699 1.8832 2.1472 2.1769 2.7899 2.8113 8.7753 8.8667 9.3204 9.4986 9.8841 9.9500 10.3064 10.4085 10.7363 10.9086 17.7726 17.7822 19.7523 19.7851 20.9290 20.9445 23.1681 23.2823 k = 0.5000 0.0599 0.5276 ( 770 PWs) bands (ev): -15.3922 -15.3846 1.8634 1.8751 2.1509 2.1793 2.7925 2.8135 8.7858 8.8811 9.3288 9.5055 9.8813 9.9467 10.3106 10.4196 10.7373 10.9083 17.7524 17.7613 19.6262 19.6609 20.9891 21.0036 23.2962 23.4099 k = 0.5000 0.0654 0.5199 ( 772 PWs) bands (ev): -15.3946 -15.3871 1.8552 1.8653 2.1565 2.1834 2.7949 2.8156 8.7973 8.8965 9.3378 9.5128 9.8783 9.9429 10.3158 10.4310 10.7383 10.9079 17.7310 17.7394 19.4983 19.5344 21.0548 21.0687 23.4250 23.5384 k = 0.5000 0.0708 0.5122 ( 774 PWs) bands (ev): -15.3972 -15.3897 1.8452 1.8535 2.1640 2.1894 2.7974 2.8177 8.8098 8.9130 9.3474 9.5205 9.8751 9.9386 10.3219 10.4427 10.7394 10.9074 17.7087 17.7165 19.3693 19.4063 21.1256 21.1395 23.5538 23.6670 k = 0.5000 0.0763 0.5045 ( 774 PWs) bands (ev): -15.3999 -15.3925 1.8334 1.8401 2.1733 2.1973 2.7997 2.8196 8.8235 8.9305 9.3576 9.5285 9.8718 9.9340 10.3289 10.4547 10.7407 10.9070 17.6855 17.6928 19.2398 19.2774 21.2015 21.2157 23.6820 23.7951 k = 0.5000 0.0817 0.4968 ( 778 PWs) bands (ev): -15.4029 -15.3955 1.8197 1.8251 2.1843 2.2069 2.8019 2.8214 8.8381 8.9490 9.3681 9.5367 9.8684 9.9290 10.3368 10.4669 10.7420 10.9065 17.6618 17.6685 19.1101 19.1481 21.2822 21.2969 23.8091 23.9222 k = 0.5000 0.0871 0.4891 ( 778 PWs) bands (ev): -15.4059 -15.3986 1.8044 1.8089 2.1971 2.2184 2.8040 2.8231 8.8537 8.9684 9.3791 9.5453 9.8648 9.9237 10.3456 10.4794 10.7434 10.9059 17.6375 17.6436 18.9806 19.0188 21.3674 21.3830 23.9346 24.0477 k = 0.5000 0.0926 0.4814 ( 776 PWs) bands (ev): -15.4090 -15.4018 1.7875 1.7915 2.2113 2.2315 2.8060 2.8246 8.8704 8.9887 9.3905 9.5540 9.8613 9.9181 10.3552 10.4921 10.7450 10.9053 17.6128 17.6184 18.8517 18.8898 21.4572 21.4737 24.0581 24.1711 k = 0.5000 0.0980 0.4737 ( 776 PWs) bands (ev): -15.4123 -15.4052 1.7692 1.7733 2.2269 2.2460 2.8077 2.8259 8.8880 9.0098 9.4022 9.5629 9.8575 9.9122 10.3655 10.5048 10.7467 10.9047 17.5879 17.5930 18.7234 18.7615 21.5513 21.5689 24.1790 24.2920 k = 0.5000 0.1035 0.4660 ( 778 PWs) bands (ev): -15.4157 -15.4087 1.7497 1.7543 2.2436 2.2619 2.8092 2.8270 8.9064 9.0317 9.4142 9.5718 9.8537 9.9060 10.3765 10.5177 10.7485 10.9040 17.5627 17.5674 18.5961 18.6339 21.6496 21.6684 24.2971 24.4100 k = 0.5000 0.1089 0.4583 ( 778 PWs) bands (ev): -15.4192 -15.4122 1.7294 1.7345 2.2615 2.2790 2.8106 2.8278 8.9258 9.0543 9.4264 9.5808 9.8498 9.8996 10.3881 10.5306 10.7505 10.9032 17.5375 17.5417 18.4700 18.5075 21.7520 21.7720 24.4118 24.5246 k = 0.5000 0.1144 0.4506 ( 780 PWs) bands (ev): -15.4227 -15.4159 1.7085 1.7141 2.2803 2.2972 2.8117 2.8285 8.9458 9.0775 9.4388 9.5899 9.8459 9.8930 10.4003 10.5435 10.7525 10.9024 17.5123 17.5161 18.3453 18.3823 21.8584 21.8797 24.5229 24.6354 k = 0.5000 0.1198 0.4429 ( 776 PWs) bands (ev): -15.4264 -15.4196 1.6871 1.6932 2.2999 2.3163 2.8126 2.8289 8.9668 9.1013 9.4514 9.5990 9.8420 9.8863 10.4131 10.5564 10.7548 10.9015 17.4872 17.4906 18.2220 18.2585 21.9687 21.9913 24.6301 24.7421 k = 0.5000 0.1253 0.4352 ( 776 PWs) bands (ev): -15.4300 -15.4234 1.6653 1.6719 2.3202 2.3361 2.8134 2.8291 8.9883 9.1256 9.4641 9.6081 9.8380 9.8795 10.4262 10.5692 10.7573 10.9006 17.4623 17.4653 18.1003 18.1363 22.0828 22.1067 24.7329 24.8443 k = 0.5000 0.1307 0.4275 ( 780 PWs) bands (ev): -15.4338 -15.4273 1.6433 1.6503 2.3412 2.3566 2.8139 2.8291 9.0104 9.1501 9.4767 9.6170 9.8340 9.8726 10.4398 10.5816 10.7600 10.8995 17.4376 17.4403 17.9805 18.0158 22.2005 22.2257 24.8311 24.9417 k = 0.5000 0.1362 0.4198 ( 782 PWs) bands (ev): -15.4375 -15.4311 1.6213 1.6285 2.3626 2.3776 2.8142 2.8290 9.0330 9.1750 9.4894 9.6258 9.8301 9.8657 10.4536 10.5939 10.7629 10.8984 17.4132 17.4156 17.8626 17.8973 22.3219 22.3484 24.9243 25.0340 k = 0.5000 0.1416 0.4121 ( 782 PWs) bands (ev): -15.4412 -15.4350 1.5992 1.6067 2.3844 2.3990 2.8144 2.8286 9.0561 9.2001 9.5021 9.6345 9.8263 9.8588 10.4678 10.6059 10.7661 10.8973 17.3892 17.3913 17.7469 17.7808 22.4466 22.4744 25.0125 25.1209 k = 0.5000 0.1471 0.4044 ( 782 PWs) bands (ev): -15.4450 -15.4389 1.5773 1.5849 2.4065 2.4208 2.8144 2.8281 9.0795 9.2252 9.5148 9.6432 9.8226 9.8519 10.4822 10.6176 10.7696 10.8961 17.3655 17.3674 17.6333 17.6665 22.5747 22.6038 25.0954 25.2023 k = 0.5000 0.1525 0.3967 ( 782 PWs) bands (ev): -15.4487 -15.4428 1.5556 1.5633 2.4289 2.4428 2.8142 2.8274 9.1032 9.2503 9.5274 9.6516 9.8191 9.8452 10.4968 10.6288 10.7735 10.8949 17.3422 17.3440 17.5222 17.5547 22.7060 22.7363 25.1729 25.2780 k = 0.5000 0.1580 0.3890 ( 780 PWs) bands (ev): -15.4524 -15.4467 1.5341 1.5419 2.4513 2.4648 2.8140 2.8266 9.1271 9.2753 9.5399 9.6600 9.8157 9.8385 10.5115 10.6395 10.7777 10.8936 17.3192 17.3211 17.4138 17.4456 22.8404 22.8718 25.2449 25.3479 k = 0.5000 0.1634 0.3813 ( 778 PWs) bands (ev): -15.4561 -15.4505 1.5130 1.5208 2.4737 2.4869 2.8135 2.8257 9.1511 9.2999 9.5524 9.6682 9.8126 9.8321 10.5263 10.6497 10.7823 10.8923 17.2938 17.2976 17.3106 17.3407 22.9777 23.0102 25.3114 25.4119 k = 0.5000 0.1688 0.3736 ( 782 PWs) bands (ev): -15.4597 -15.4543 1.4923 1.5000 2.4960 2.5088 2.8130 2.8246 9.1749 9.3240 9.5645 9.6760 9.8095 9.8258 10.5411 10.6591 10.7873 10.8909 17.2035 17.2308 17.2779 17.2802 23.1177 23.1513 25.3724 25.4702 k = 0.5000 0.1743 0.3659 ( 782 PWs) bands (ev): -15.4633 -15.4580 1.4721 1.4797 2.5181 2.5305 2.8124 2.8234 9.1987 9.3475 9.5766 9.6837 9.8068 9.8198 10.5560 10.6680 10.7927 10.8895 17.1036 17.1314 17.2568 17.2577 23.2603 23.2948 25.4281 25.5229 k = 0.5000 0.1797 0.3582 ( 780 PWs) bands (ev): -15.4667 -15.4617 1.4525 1.4600 2.5399 2.5520 2.8117 2.8222 9.2223 9.3701 9.5886 9.6913 9.8042 9.8141 10.5708 10.6763 10.7985 10.8881 17.0066 17.0336 17.2367 17.2373 23.4052 23.4406 25.4786 25.5701 k = 0.5000 0.1852 0.3505 ( 780 PWs) bands (ev): -15.4701 -15.4653 1.4335 1.4408 2.5614 2.5730 2.8109 2.8209 9.2455 9.3918 9.6005 9.6985 9.8017 9.8090 10.5855 10.6839 10.8046 10.8867 16.9128 16.9389 17.2173 17.2178 23.5522 23.5884 25.5240 25.6120 k = 0.5000 0.1906 0.3428 ( 784 PWs) bands (ev): -15.4734 -15.4688 1.4151 1.4222 2.5824 2.5936 2.8101 2.8195 9.2682 9.4122 9.6122 9.7055 9.7988 9.8048 10.6000 10.6909 10.8109 10.8854 16.8224 16.8476 17.1987 17.1992 23.7010 23.7380 25.5647 25.6488 k = 0.5000 0.1961 0.3351 ( 782 PWs) bands (ev): -15.4766 -15.4721 1.3975 1.4043 2.6029 2.6136 2.8092 2.8182 9.2904 9.4313 9.6240 9.7123 9.7953 9.8021 10.6144 10.6973 10.8175 10.8841 16.7357 16.7597 17.1810 17.1814 23.8513 23.8889 25.6009 25.6810 k = 0.5000 0.2015 0.3274 ( 782 PWs) bands (ev): -15.4796 -15.4754 1.3807 1.3872 2.6227 2.6330 2.8084 2.8168 9.3120 9.4488 9.6358 9.7188 9.7914 9.8006 10.6285 10.7032 10.8241 10.8828 16.6527 16.6756 17.1641 17.1646 24.0027 24.0407 25.6330 25.7089 k = 0.5000 0.2070 0.3197 ( 786 PWs) bands (ev): -15.4825 -15.4785 1.3646 1.3708 2.6418 2.6515 2.8075 2.8154 9.3327 9.4646 9.6476 9.7250 9.7875 9.7998 10.6422 10.7086 10.8306 10.8816 16.5736 16.5954 17.1480 17.1485 24.1548 24.1931 25.6611 25.7326 k = 0.5000 0.2124 0.3120 ( 782 PWs) bands (ev): -15.4852 -15.4815 1.3495 1.3554 2.6600 2.6693 2.8067 2.8141 9.3527 9.4787 9.6595 9.7309 9.7840 9.7995 10.6556 10.7136 10.8371 10.8807 16.4986 16.5192 17.1329 17.1335 24.3070 24.3455 25.6858 25.7528 k = 0.5000 0.2179 0.3043 ( 780 PWs) bands (ev): -15.4878 -15.4843 1.3352 1.3408 2.6775 2.6861 2.8060 2.8128 9.3718 9.4909 9.6714 9.7365 9.7808 9.7995 10.6685 10.7183 10.8433 10.8799 16.4279 16.4473 17.1188 17.1193 24.4588 24.4972 25.7072 25.7697 k = 0.5000 0.2233 0.2966 ( 782 PWs) bands (ev): -15.4903 -15.4870 1.3218 1.3270 2.6939 2.7020 2.8053 2.8115 9.3898 9.5012 9.6832 9.7416 9.7779 9.7997 10.6807 10.7226 10.8492 10.8794 16.3616 16.3797 17.1055 17.1060 24.6093 24.6474 25.7259 25.7836 k = 0.5000 0.2288 0.2889 ( 778 PWs) bands (ev): -15.4925 -15.4895 1.3095 1.3143 2.7093 2.7168 2.8047 2.8104 9.4068 9.5098 9.6951 9.7465 9.7756 9.8002 10.6924 10.7266 10.8546 10.8793 16.3000 16.3168 17.0933 17.0938 24.7578 24.7953 25.7421 25.7950 k = 0.5000 0.2342 0.2812 ( 778 PWs) bands (ev): -15.4946 -15.4919 1.2981 1.3025 2.7235 2.7303 2.8043 2.8094 9.4226 9.5166 9.7067 9.7508 9.7737 9.8008 10.7031 10.7304 10.8593 10.8796 16.2431 16.2585 17.0820 17.0825 24.9031 24.9398 25.7560 25.8042 k = 0.5000 0.2397 0.2734 ( 778 PWs) bands (ev): -15.4965 -15.4940 1.2877 1.2917 2.7365 2.7426 2.8040 2.8085 9.4373 9.5219 9.7179 9.7547 9.7723 9.8013 10.7129 10.7340 10.8634 10.8803 16.1912 16.2052 17.0718 17.0723 25.0440 25.0795 25.7682 25.8115 k = 0.5000 0.2451 0.2657 ( 778 PWs) bands (ev): -15.4982 -15.4960 1.2784 1.2820 2.7481 2.7536 2.8039 2.8078 9.4507 9.5258 9.7286 9.7581 9.7713 9.8018 10.7218 10.7373 10.8668 10.8815 16.1444 16.1569 17.0626 17.0630 25.1790 25.2129 25.7789 25.8172 k = 0.5000 0.2505 0.2580 ( 782 PWs) bands (ev): -15.4997 -15.4977 1.2702 1.2733 2.7583 2.7630 2.8041 2.8074 9.4630 9.5283 9.7387 9.7609 9.7707 9.8020 10.7294 10.7403 10.8695 10.8829 16.1028 16.1138 17.0544 17.0549 25.3063 25.3380 25.7885 25.8218 k = 0.5000 0.2560 0.2503 ( 782 PWs) bands (ev): -15.5009 -15.4993 1.2630 1.2658 2.7670 2.7708 2.8047 2.8073 9.4741 9.5297 9.7479 9.7633 9.7708 9.8020 10.7360 10.7431 10.8720 10.8843 16.0665 16.0761 17.0474 17.0477 25.4237 25.4527 25.7975 25.8256 k = 0.5000 0.2614 0.2426 ( 782 PWs) bands (ev): -15.5020 -15.5006 1.2570 1.2593 2.7740 2.7770 2.8057 2.8075 9.4841 9.5301 9.7559 9.7651 9.7715 9.8017 10.7414 10.7457 10.8744 10.8855 16.0358 16.0438 17.0414 17.0417 25.5287 25.5541 25.8065 25.8293 k = 0.5000 0.2669 0.2349 ( 782 PWs) bands (ev): -15.5029 -15.5018 1.2521 1.2539 2.7794 2.7815 2.8071 2.8082 9.4930 9.5295 9.7622 9.7664 9.7735 9.8008 10.7457 10.7479 10.8767 10.8864 16.0106 16.0171 17.0364 17.0367 25.6179 25.6389 25.8168 25.8337 k = 0.5000 0.2723 0.2272 ( 782 PWs) bands (ev): -15.5035 -15.5027 1.2483 1.2497 2.7832 2.7845 2.8087 2.8092 9.5008 9.5280 9.7659 9.7673 9.7773 9.7994 10.7488 10.7498 10.8789 10.8867 15.9911 15.9960 17.0326 17.0328 25.6876 25.7028 25.8300 25.8404 k = 0.5000 0.2778 0.2195 ( 778 PWs) bands (ev): -15.5039 -15.5033 1.2456 1.2466 2.7856 2.7864 2.8102 2.8104 9.5077 9.5257 9.7676 9.7679 9.7821 9.7973 10.7510 10.7513 10.8811 10.8866 15.9774 15.9807 17.0299 17.0300 25.7340 25.7428 25.8468 25.8509 k = 0.5000 0.2832 0.2118 ( 778 PWs) bands (ev): -15.5041 -15.5038 1.2442 1.2446 2.7870 2.7873 2.8112 2.8112 9.5135 9.5225 9.7683 9.7683 9.7869 9.7946 10.7522 10.7522 10.8830 10.8858 15.9695 15.9711 17.0283 17.0283 25.7580 25.7618 25.8621 25.8626 k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev): -15.5041 -15.5041 1.2438 1.2438 2.7875 2.7875 2.8115 2.8115 9.5184 9.5184 9.7685 9.7685 9.7911 9.7911 10.7525 10.7525 10.8846 10.8846 15.9674 15.9674 17.0277 17.0277 25.7660 25.7660 25.8681 25.8681 k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev): -15.5041 -15.5041 1.2438 1.2438 2.7875 2.7875 2.8115 2.8115 9.5184 9.5184 9.7685 9.7685 9.7911 9.7911 10.7525 10.7525 10.8846 10.8846 15.9674 15.9674 17.0277 17.0277 25.7660 25.7660 25.8681 25.8681 k = 0.4973 0.2871 0.2130 ( 778 PWs) bands (ev): -15.5041 -15.5038 1.2441 1.2446 2.7870 2.7873 2.8112 2.8112 9.5135 9.5225 9.7683 9.7683 9.7869 9.7946 10.7522 10.7522 10.8830 10.8858 15.9695 15.9711 17.0282 17.0283 25.7581 25.7618 25.8623 25.8625 k = 0.4946 0.2855 0.2219 ( 778 PWs) bands (ev): -15.5039 -15.5033 1.2456 1.2466 2.7857 2.7864 2.8103 2.8104 9.5077 9.5257 9.7676 9.7679 9.7822 9.7973 10.7510 10.7513 10.8811 10.8866 15.9774 15.9806 17.0299 17.0300 25.7346 25.7425 25.8485 25.8494 k = 0.4918 0.2840 0.2307 ( 780 PWs) bands (ev): -15.5035 -15.5027 1.2483 1.2496 2.7833 2.7845 2.8089 2.8092 9.5009 9.5280 9.7660 9.7673 9.7773 9.7994 10.7490 10.7497 10.8790 10.8867 15.9910 15.9959 17.0326 17.0328 25.6894 25.7012 25.8348 25.8363 k = 0.4891 0.2824 0.2396 ( 782 PWs) bands (ev): -15.5029 -15.5018 1.2520 1.2539 2.7795 2.7814 2.8074 2.8080 9.4930 9.5295 9.7623 9.7664 9.7735 9.8008 10.7459 10.7477 10.8768 10.8863 16.0104 16.0169 17.0364 17.0367 25.6213 25.6357 25.8252 25.8267 k = 0.4864 0.2808 0.2485 ( 782 PWs) bands (ev): -15.5020 -15.5006 1.2569 1.2592 2.7743 2.7768 2.8062 2.8071 9.4842 9.5301 9.7560 9.7653 9.7714 9.8016 10.7419 10.7453 10.8746 10.8854 16.0355 16.0435 17.0413 17.0416 25.5334 25.5495 25.8187 25.8196 k = 0.4837 0.2793 0.2574 ( 782 PWs) bands (ev): -15.5010 -15.4993 1.2629 1.2657 2.7673 2.7706 2.8054 2.8067 9.4742 9.5298 9.7480 9.7641 9.7702 9.8019 10.7368 10.7425 10.8726 10.8838 16.0661 16.0756 17.0473 17.0476 25.4293 25.4466 25.8135 25.8138 k = 0.4810 0.2777 0.2662 ( 783 PWs) bands (ev): -15.4997 -15.4978 1.2700 1.2732 2.7588 2.7626 2.8050 2.8066 9.4630 9.5283 9.7389 9.7628 9.7693 9.8017 10.7305 10.7393 10.8708 10.8817 16.1021 16.1132 17.0543 17.0547 25.3122 25.3303 25.8086 25.8088 k = 0.4783 0.2761 0.2751 ( 783 PWs) bands (ev): -15.4982 -15.4960 1.2782 1.2818 2.7486 2.7531 2.8050 2.8069 9.4506 9.5257 9.7290 9.7613 9.7687 9.8011 10.7232 10.7357 10.8692 10.8791 16.1436 16.1561 17.0625 17.0629 25.1847 25.2032 25.8034 25.8043 k = 0.4755 0.2746 0.2840 ( 781 PWs) bands (ev): -15.4965 -15.4941 1.2875 1.2915 2.7371 2.7421 2.8053 2.8074 9.4370 9.5218 9.7187 9.7598 9.7682 9.8003 10.7149 10.7319 10.8679 10.8760 16.1902 16.2041 17.0716 17.0721 25.0489 25.0676 25.7981 25.7995 k = 0.4728 0.2730 0.2929 ( 779 PWs) bands (ev): -15.4946 -15.4919 1.2978 1.3023 2.7242 2.7297 2.8059 2.8082 9.4221 9.5165 9.7082 9.7582 9.7680 9.7993 10.7056 10.7277 10.8668 10.8725 16.2418 16.2571 17.0819 17.0824 24.9065 24.9252 25.7927 25.7945 k = 0.4701 0.2714 0.3017 ( 781 PWs) bands (ev): -15.4926 -15.4896 1.3092 1.3140 2.7099 2.7160 2.8066 2.8091 9.4058 9.5093 9.6976 9.7566 9.7678 9.7980 10.6954 10.7232 10.8658 10.8685 16.2983 16.3150 17.0931 17.0937 24.7591 24.7774 25.7869 25.7891 k = 0.4674 0.2698 0.3106 ( 783 PWs) bands (ev): -15.4903 -15.4871 1.3215 1.3267 2.6945 2.7011 2.8076 2.8102 9.3883 9.5003 9.6873 9.7548 9.7679 9.7965 10.6844 10.7185 10.8642 10.8650 16.3595 16.3775 17.1054 17.1060 24.6078 24.6256 25.7808 25.7835 k = 0.4647 0.2683 0.3195 ( 784 PWs) bands (ev): -15.4879 -15.4844 1.3347 1.3403 2.6781 2.6851 2.8086 2.8115 9.3695 9.4892 9.6775 9.7531 9.7682 9.7950 10.6728 10.7135 10.8595 10.8643 16.4252 16.4444 17.1187 17.1193 24.4536 24.4707 25.7744 25.7774 k = 0.4620 0.2667 0.3284 ( 782 PWs) bands (ev): -15.4853 -15.4816 1.3489 1.3548 2.6606 2.6682 2.8098 2.8128 9.3495 9.4760 9.6684 9.7514 9.7688 9.7936 10.6607 10.7082 10.8547 10.8637 16.4952 16.5155 17.1331 17.1338 24.2973 24.3136 25.7677 25.7710 k = 0.4592 0.2651 0.3372 ( 784 PWs) bands (ev): -15.4826 -15.4787 1.3640 1.3702 2.6421 2.6503 2.8111 2.8142 9.3283 9.4605 9.6601 9.7497 9.7696 9.7920 10.6481 10.7027 10.8495 10.8629 16.5692 16.5906 17.1486 17.1493 24.1397 24.1551 25.7606 25.7643 k = 0.4565 0.2636 0.3461 ( 782 PWs) bands (ev): -15.4797 -15.4755 1.3799 1.3863 2.6229 2.6316 2.8125 2.8158 9.3061 9.4430 9.6527 9.7480 9.7708 9.7906 10.6352 10.6970 10.8442 10.8622 16.6470 16.6693 17.1652 17.1660 23.9814 23.9957 25.7532 25.7572 k = 0.4538 0.2620 0.3550 ( 783 PWs) bands (ev): -15.4767 -15.4723 1.3965 1.4033 2.6029 2.6120 2.8139 2.8173 9.2829 9.4235 9.6462 9.7464 9.7724 9.7893 10.6219 10.6911 10.8386 10.8612 16.7281 16.7512 17.1832 17.1842 23.8227 23.8360 25.7456 25.7499 k = 0.4511 0.2604 0.3639 ( 779 PWs) bands (ev): -15.4735 -15.4689 1.4139 1.4209 2.5822 2.5919 2.8154 2.8190 9.2588 9.4023 9.6404 9.7448 9.7742 9.7881 10.6084 10.6850 10.8329 10.8602 16.8121 16.8358 17.2027 17.2040 23.6642 23.6763 25.7377 25.7422 k = 0.4484 0.2589 0.3727 ( 779 PWs) bands (ev): -15.4703 -15.4655 1.4320 1.4392 2.5608 2.5711 2.8170 2.8207 9.2339 9.3795 9.6353 9.7432 9.7764 9.7870 10.5947 10.6788 10.8270 10.8589 16.8982 16.9221 17.2243 17.2263 23.5062 23.5170 25.7295 25.7343 k = 0.4457 0.2573 0.3816 ( 781 PWs) bands (ev): -15.4669 -15.4619 1.4506 1.4580 2.5390 2.5498 2.8186 2.8225 9.2083 9.3552 9.6308 9.7416 9.7787 9.7859 10.5808 10.6723 10.8210 10.8575 16.9851 17.0083 17.2491 17.2525 23.3489 23.3584 25.7211 25.7261 k = 0.4429 0.2557 0.3905 ( 781 PWs) bands (ev): -15.4635 -15.4583 1.4698 1.4773 2.5168 2.5282 2.8203 2.8243 9.1822 9.3300 9.6268 9.7401 9.7814 9.7849 10.5669 10.6658 10.8147 10.8557 17.0699 17.0908 17.2796 17.2862 23.1927 23.2008 25.7124 25.7176 k = 0.4402 0.2542 0.3994 ( 781 PWs) bands (ev): -15.4599 -15.4546 1.4894 1.4970 2.4943 2.5063 2.8220 2.8261 9.1557 9.3039 9.6234 9.7388 9.7840 9.7844 10.5529 10.6592 10.8083 10.8536 17.1470 17.1626 17.3214 17.3340 23.0377 23.0444 25.7036 25.7089 k = 0.4375 0.2526 0.4082 ( 779 PWs) bands (ev): -15.4564 -15.4508 1.5094 1.5169 2.4717 2.4843 2.8237 2.8279 9.1290 9.2773 9.6204 9.7375 9.7832 9.7877 10.5390 10.6526 10.8018 10.8513 17.2084 17.2169 17.3822 17.4025 22.8843 22.8895 25.6945 25.7000 k = 0.4348 0.2510 0.4171 ( 779 PWs) bands (ev): -15.4527 -15.4470 1.5296 1.5371 2.4490 2.4623 2.8254 2.8297 9.1021 9.2501 9.6177 9.7363 9.7824 9.7910 10.5251 10.6460 10.7950 10.8486 17.2523 17.2557 17.4633 17.4893 22.7324 22.7362 25.6853 25.6910 k = 0.4321 0.2495 0.4260 ( 776 PWs) bands (ev): -15.4490 -15.4432 1.5499 1.5572 2.4265 2.4405 2.8272 2.8316 9.0753 9.2229 9.6155 9.7353 9.7816 9.7946 10.5113 10.6395 10.7882 10.8456 17.2853 17.2859 17.5582 17.5874 22.5824 22.5847 25.6760 25.6817 k = 0.4293 0.2479 0.4349 ( 776 PWs) bands (ev): -15.4453 -15.4394 1.5701 1.5773 2.4043 2.4190 2.8289 2.8334 9.0485 9.1954 9.6137 9.7345 9.7808 9.7982 10.4975 10.6330 10.7811 10.8422 17.3120 17.3128 17.6609 17.6920 22.4344 22.4351 25.6665 25.6724 k = 0.4266 0.2463 0.4437 ( 777 PWs) bands (ev): -15.4417 -15.4355 1.5901 1.5971 2.3824 2.3980 2.8307 2.8352 9.0220 9.1681 9.6122 9.7337 9.7799 9.8018 10.4839 10.6265 10.7738 10.8385 17.3359 17.3376 17.7685 17.8008 22.2877 22.2885 25.6570 25.6629 k = 0.4239 0.2447 0.4526 ( 777 PWs) bands (ev): -15.4380 -15.4317 1.6098 1.6164 2.3613 2.3776 2.8324 2.8369 8.9959 9.1411 9.6110 9.7331 9.7789 9.8054 10.4706 10.6203 10.7663 10.8344 17.3584 17.3608 17.8794 17.9127 22.1426 22.1449 25.6474 25.6533 k = 0.4212 0.2432 0.4615 ( 777 PWs) bands (ev): -15.4343 -15.4279 1.6289 1.6351 2.3410 2.3582 2.8340 2.8387 8.9704 9.1146 9.6103 9.7326 9.7779 9.8090 10.4574 10.6142 10.7586 10.8300 17.3800 17.3829 17.9930 18.0271 21.9999 22.0037 25.6377 25.6437 k = 0.4185 0.2416 0.4704 ( 777 PWs) bands (ev): -15.4307 -15.4242 1.6471 1.6528 2.3218 2.3400 2.8357 2.8404 8.9456 9.0886 9.6098 9.7322 9.7769 9.8125 10.4446 10.6083 10.7508 10.8252 17.4008 17.4042 18.1086 18.1434 21.8599 21.8653 25.6279 25.6339 k = 0.4158 0.2400 0.4792 ( 779 PWs) bands (ev): -15.4271 -15.4205 1.6643 1.6693 2.3039 2.3232 2.8372 2.8420 8.9215 9.0633 9.6098 9.7318 9.7759 9.8157 10.4322 10.6027 10.7427 10.8200 17.4207 17.4245 18.2259 18.2613 21.7228 21.7296 25.6182 25.6242 k = 0.4130 0.2385 0.4881 ( 779 PWs) bands (ev): -15.4236 -15.4169 1.6800 1.6843 2.2879 2.3082 2.8388 2.8435 8.8983 9.0389 9.6101 9.7313 9.7750 9.8188 10.4202 10.5974 10.7345 10.8145 17.4396 17.4439 18.3445 18.3805 21.5887 21.5970 25.6085 25.6144 k = 0.4103 0.2369 0.4970 ( 781 PWs) bands (ev): -15.4202 -15.4134 1.6940 1.6975 2.2738 2.2953 2.8403 2.8450 8.8762 9.0154 9.6108 9.7305 9.7744 9.8216 10.4087 10.5925 10.7260 10.8087 17.4574 17.4621 18.4643 18.5007 21.4579 21.4677 25.5987 25.6046 k = 0.4076 0.2353 0.5059 ( 779 PWs) bands (ev): -15.4168 -15.4100 1.7059 1.7086 2.2621 2.2847 2.8417 2.8465 8.8552 8.9931 9.6118 9.7294 9.7741 9.8240 10.3979 10.5880 10.7174 10.8025 17.4739 17.4790 18.5850 18.6217 21.3308 21.3420 25.5890 25.5949 k = 0.4049 0.2338 0.5147 ( 779 PWs) bands (ev): -15.4136 -15.4068 1.7153 1.7173 2.2531 2.2768 2.8431 2.8478 8.8354 8.9719 9.6132 9.7278 9.7743 9.8261 10.3878 10.5839 10.7087 10.7961 17.4888 17.4942 18.7062 18.7433 21.2076 21.2202 25.5793 25.5851 k = 0.4022 0.2322 0.5236 ( 779 PWs) bands (ev): -15.4105 -15.4036 1.7221 1.7233 2.2471 2.2718 2.8443 2.8491 8.8169 8.9520 9.6149 9.7255 9.7752 9.8278 10.3783 10.5803 10.6998 10.7893 17.5017 17.5075 18.8279 18.8653 21.0887 21.1027 25.5697 25.5754 k = 0.3995 0.2306 0.5325 ( 779 PWs) bands (ev): -15.4075 -15.4007 1.7261 1.7264 2.2442 2.2699 2.8455 2.8503 8.7999 8.9335 9.6168 9.7224 9.7768 9.8289 10.3697 10.5771 10.6908 10.7823 17.5124 17.5185 18.9497 18.9873 20.9746 20.9898 25.5601 25.5657 k = 0.3967 0.2291 0.5414 ( 775 PWs) bands (ev): -15.4047 -15.3978 1.7268 1.7270 2.2446 2.2710 2.8466 2.8513 8.7844 8.9165 9.6191 9.7187 9.7792 9.8298 10.3622 10.5746 10.6817 10.7751 17.5204 17.5267 19.0714 19.1091 20.8657 20.8821 25.5506 25.5561 k = 0.3940 0.2275 0.5502 ( 775 PWs) bands (ev): -15.4021 -15.3952 1.7243 1.7250 2.2482 2.2751 2.8476 2.8523 8.7703 8.9009 9.6216 9.7142 9.7822 9.8300 10.3554 10.5724 10.6725 10.7676 17.5253 17.5318 19.1927 19.2303 20.7626 20.7802 25.5412 25.5466 k = 0.3913 0.2259 0.5591 ( 777 PWs) bands (ev): -15.3997 -15.3928 1.7193 1.7203 2.2547 2.2821 2.8485 2.8531 8.7579 8.8869 9.6243 9.7089 9.7860 9.8298 10.3497 10.5708 10.6633 10.7599 17.5265 17.5331 19.3132 19.3508 20.6661 20.6846 25.5319 25.5371 k = 0.3886 0.2244 0.5680 ( 778 PWs) bands (ev): -15.3974 -15.3905 1.7118 1.7130 2.2639 2.2916 2.8492 2.8538 8.7471 8.8745 9.6271 9.7031 9.7903 9.8292 10.3451 10.5696 10.6542 10.7521 17.5236 17.5301 19.4326 19.4698 20.5768 20.5964 25.5227 25.5278 k = 0.3859 0.2228 0.5769 ( 774 PWs) bands (ev): -15.3954 -15.3885 1.7024 1.7036 2.2756 2.3033 2.8499 2.8544 8.7380 8.8638 9.6302 9.6967 9.7954 9.8283 10.3416 10.5690 10.6453 10.7442 17.5159 17.5222 19.5501 19.5868 20.4959 20.5165 25.5137 25.5186 k = 0.3832 0.2212 0.5857 ( 774 PWs) bands (ev): -15.3936 -15.3868 1.6912 1.6924 2.2892 2.3169 2.8505 2.8549 8.7306 8.8547 9.6332 9.6900 9.8009 9.8272 10.3391 10.5688 10.6365 10.7362 17.5029 17.5089 19.6649 19.7005 20.4248 20.4466 25.5047 25.5095 k = 0.3804 0.2196 0.5946 ( 778 PWs) bands (ev): -15.3920 -15.3852 1.6786 1.6798 2.3045 2.3320 2.8509 2.8553 8.7248 8.8472 9.6361 9.6830 9.8067 9.8259 10.3376 10.5687 10.6280 10.7281 17.4841 17.4896 19.7750 19.8090 20.3656 20.3891 25.4959 25.5005 k = 0.3777 0.2181 0.6035 ( 780 PWs) bands (ev): -15.3907 -15.3840 1.6649 1.6660 2.3211 2.3484 2.8512 2.8555 8.7208 8.8413 9.6390 9.6757 9.8130 9.8247 10.3372 10.5688 10.6201 10.7200 17.4589 17.4638 19.8768 19.9077 20.3225 20.3487 25.4872 25.4916 k = 0.3750 0.2165 0.6124 ( 786 PWs) bands (ev): -15.3897 -15.3830 1.6505 1.6514 2.3386 2.3656 2.8513 2.8555 8.7184 8.8370 9.6417 9.6684 9.8197 9.8237 10.3378 10.5686 10.6132 10.7119 17.4269 17.4310 19.9624 19.9878 20.3037 20.3347 25.4787 25.4829 k = 0.6250-0.0722 0.4082 ( 786 PWs) bands (ev): -15.3897 -15.3830 1.6505 1.6514 2.3386 2.3656 2.8513 2.8555 8.7184 8.8370 9.6417 9.6684 9.8197 9.8237 10.3378 10.5686 10.6132 10.7119 17.4269 17.4310 19.9624 19.9878 20.3037 20.3347 25.4787 25.4829 k = 0.6204-0.0802 0.4082 ( 778 PWs) bands (ev): -15.3881 -15.3816 1.6255 1.6262 2.3693 2.3957 2.8516 2.8556 8.7167 8.8318 9.6461 9.6563 9.8233 9.8317 10.3397 10.5664 10.6043 10.6986 17.3650 17.3675 20.0811 20.0912 20.3078 20.3528 25.4649 25.4688 k = 0.6157-0.0882 0.4082 ( 774 PWs) bands (ev): -15.3868 -15.3804 1.6010 1.6015 2.3996 2.4255 2.8517 2.8556 8.7163 8.8277 9.6449 9.6496 9.8243 9.8435 10.3411 10.5602 10.5989 10.6855 17.3010 17.3019 20.1583 20.1654 20.3499 20.4106 25.4523 25.4558 k = 0.6111-0.0962 0.4082 ( 774 PWs) bands (ev): -15.3856 -15.3793 1.5769 1.5772 2.4296 2.4549 2.8518 2.8555 8.7172 8.8247 9.6344 9.6524 9.8267 9.8551 10.3418 10.5508 10.5962 10.6726 17.2351 17.2356 20.1843 20.1937 20.4505 20.5120 25.4408 25.4439 k = 0.6065-0.1042 0.4082 ( 774 PWs) bands (ev): -15.3845 -15.3783 1.5533 1.5535 2.4592 2.4838 2.8519 2.8554 8.7192 8.8225 9.6248 9.6548 9.8304 9.8665 10.3421 10.5396 10.5946 10.6600 17.1677 17.1696 20.1891 20.1955 20.5794 20.6361 25.4303 25.4330 k = 0.6019-0.1123 0.4082 ( 774 PWs) bands (ev): -15.3835 -15.3775 1.5303 1.5303 2.4882 2.5121 2.8520 2.8553 8.7222 8.8212 9.6163 9.6570 9.8353 9.8778 10.3418 10.5278 10.5933 10.6476 17.1005 17.1036 20.1857 20.1895 20.7168 20.7693 25.4208 25.4231 k = 0.5972-0.1203 0.4082 ( 774 PWs) bands (ev): -15.3826 -15.3769 1.5079 1.5079 2.5167 2.5398 2.8520 2.8552 8.7261 8.8205 9.6090 9.6594 9.8411 9.8887 10.3409 10.5159 10.5916 10.6354 17.0338 17.0381 20.1792 20.1813 20.8570 20.9060 25.4122 25.4141 k = 0.5926-0.1283 0.4082 ( 768 PWs) bands (ev): -15.3818 -15.3763 1.4861 1.4863 2.5444 2.5668 2.8521 2.8551 8.7308 8.8205 9.6031 9.6621 9.8479 9.8996 10.3396 10.5041 10.5894 10.6236 16.9681 16.9734 20.1713 20.1722 20.9978 21.0438 25.4045 25.4060 k = 0.5880-0.1363 0.4082 ( 768 PWs) bands (ev): -15.3812 -15.3758 1.4652 1.4653 2.5713 2.5929 2.8521 2.8550 8.7360 8.8208 9.5985 9.6653 9.8550 9.9099 10.3377 10.4925 10.5864 10.6119 16.9037 16.9099 20.1629 20.1631 21.1379 21.1812 25.3976 25.3987 k = 0.5833-0.1443 0.4082 ( 772 PWs) bands (ev): -15.3806 -15.3754 1.4450 1.4452 2.5973 2.6181 2.8522 2.8548 8.7416 8.8213 9.5953 9.6690 9.8626 9.9198 10.3353 10.4812 10.5824 10.6005 16.8409 16.8479 20.1541 20.1545 21.2766 21.3174 25.3915 25.3921 k = 0.5787-0.1524 0.4082 ( 772 PWs) bands (ev): -15.3801 -15.3752 1.4256 1.4258 2.6224 2.6423 2.8522 2.8547 8.7475 8.8221 9.5936 9.6735 9.8704 9.9294 10.3326 10.4704 10.5776 10.5892 16.7800 16.7877 20.1455 20.1463 21.4133 21.4517 25.3860 25.3861 k = 0.5741-0.1604 0.4082 ( 776 PWs) bands (ev): -15.3796 -15.3750 1.4071 1.4074 2.6464 2.6654 2.8522 2.8545 8.7536 8.8229 9.5934 9.6787 9.8784 9.9384 10.3296 10.4600 10.5720 10.5781 16.7213 16.7295 20.1373 20.1383 21.5475 21.5836 25.3807 25.3811 k = 0.5694-0.1684 0.4082 ( 776 PWs) bands (ev): -15.3792 -15.3748 1.3896 1.3899 2.6694 2.6874 2.8523 2.8544 8.7599 8.8239 9.5948 9.6847 9.8864 9.9470 10.3264 10.4502 10.5654 10.5672 16.6650 16.6735 20.1295 20.1307 21.6787 21.7125 25.3759 25.3769 k = 0.5648-0.1764 0.4082 ( 776 PWs) bands (ev): -15.3789 -15.3747 1.3730 1.3733 2.6913 2.7082 2.8524 2.8543 8.7660 8.8248 9.5978 9.6913 9.8945 9.9550 10.3232 10.4409 10.5565 10.5580 16.6112 16.6201 20.1222 20.1235 21.8063 21.8378 25.3715 25.3731 k = 0.5602-0.1844 0.4082 ( 776 PWs) bands (ev): -15.3786 -15.3747 1.3574 1.3577 2.7119 2.7277 2.8524 2.8542 8.7720 8.8256 9.6023 9.6985 9.9024 9.9623 10.3201 10.4322 10.5460 10.5498 16.5604 16.5693 20.1155 20.1168 21.9299 21.9590 25.3675 25.3697 k = 0.5556-0.1925 0.4082 ( 776 PWs) bands (ev): -15.3783 -15.3747 1.3429 1.3432 2.7312 2.7459 2.8526 2.8541 8.7778 8.8263 9.6082 9.7060 9.9102 9.9691 10.3173 10.4242 10.5357 10.5408 16.5125 16.5214 20.1092 20.1105 22.0488 22.0756 25.3638 25.3668 k = 0.5509-0.2005 0.4082 ( 776 PWs) bands (ev): -15.3781 -15.3747 1.3294 1.3297 2.7492 2.7628 2.8527 2.8540 8.7832 8.8267 9.6155 9.7136 9.9178 9.9750 10.3148 10.4167 10.5256 10.5311 16.4678 16.4765 20.1034 20.1047 22.1626 22.1870 25.3604 25.3641 k = 0.5463-0.2085 0.4082 ( 776 PWs) bands (ev): -15.3779 -15.3748 1.3170 1.3172 2.7659 2.7782 2.8529 2.8540 8.7883 8.8270 9.6240 9.7211 9.9252 9.9802 10.3130 10.4099 10.5158 10.5209 16.4264 16.4348 20.0981 20.0993 22.2705 22.2926 25.3570 25.3617 k = 0.5417-0.2165 0.4082 ( 776 PWs) bands (ev): -15.3777 -15.3749 1.3057 1.3059 2.7810 2.7921 2.8532 2.8540 8.7930 8.8271 9.6336 9.7281 9.9323 9.9846 10.3119 10.4037 10.5063 10.5103 16.3885 16.3965 20.0934 20.0945 22.3719 22.3916 25.3536 25.3594 k = 0.5370-0.2245 0.4082 ( 778 PWs) bands (ev): -15.3776 -15.3751 1.2955 1.2957 2.7947 2.8044 2.8536 2.8541 8.7972 8.8270 9.6440 9.7344 9.9391 9.9881 10.3116 10.3981 10.4971 10.4994 16.3543 16.3618 20.0891 20.0901 22.4660 22.4834 25.3499 25.3570 k = 0.5324-0.2325 0.4082 ( 778 PWs) bands (ev): -15.3774 -15.3752 1.2864 1.2866 2.8068 2.8150 2.8541 2.8542 8.8011 8.8266 9.6551 9.7396 9.9457 9.9906 10.3125 10.3928 10.4884 10.4888 16.3239 16.3307 20.0854 20.0863 22.5521 22.5672 25.3458 25.3543 k = 0.5278-0.2406 0.4082 ( 778 PWs) bands (ev): -15.3773 -15.3754 1.2786 1.2788 2.8173 2.8240 2.8546 2.8548 8.8047 8.8261 9.6667 9.7435 9.9520 9.9923 10.3146 10.3878 10.4786 10.4802 16.2974 16.3034 20.0821 20.0830 22.6294 22.6422 25.3410 25.3511 k = 0.5231-0.2486 0.4082 ( 784 PWs) bands (ev): -15.3771 -15.3755 1.2719 1.2721 2.8259 2.8310 2.8551 2.8559 8.8076 8.8252 9.6783 9.7457 9.9580 9.9929 10.3178 10.3827 10.4692 10.4726 16.2748 16.2799 20.0794 20.0801 22.6969 22.7074 25.3350 25.3467 k = 0.5185-0.2566 0.4082 ( 784 PWs) bands (ev): -15.3770 -15.3757 1.2664 1.2666 2.8327 2.8363 2.8560 2.8572 8.8104 8.8243 9.6899 9.7462 9.9638 9.9926 10.3223 10.3773 10.4612 10.4657 16.2563 16.2606 20.0772 20.0778 22.7538 22.7622 25.3278 25.3405 k = 0.5139-0.2646 0.4082 ( 784 PWs) bands (ev): -15.3768 -15.3759 1.2622 1.2623 2.8377 2.8398 2.8573 2.8587 8.8130 8.8233 9.7011 9.7448 9.9692 9.9915 10.3279 10.3713 10.4550 10.4598 16.2420 16.2453 20.0755 20.0759 22.7994 22.8056 25.3200 25.3321 k = 0.5093-0.2726 0.4082 ( 786 PWs) bands (ev): -15.3767 -15.3761 1.2591 1.2592 2.8408 2.8419 2.8587 2.8600 8.8152 8.8220 9.7116 9.7414 9.9743 9.9895 10.3344 10.3646 10.4509 10.4549 16.2319 16.2341 20.0743 20.0746 22.8328 22.8369 25.3131 25.3224 k = 0.5046-0.2807 0.4082 ( 790 PWs) bands (ev): -15.3766 -15.3762 1.2573 1.2573 2.8424 2.8429 2.8600 2.8607 8.8172 8.8206 9.7211 9.7362 9.9788 9.9865 10.3418 10.3572 10.4491 10.4513 16.2261 16.2272 20.0736 20.0738 22.8535 22.8555 25.3089 25.3140 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -15.3764 -15.3764 1.2567 1.2567 2.8431 2.8431 2.8608 2.8608 8.8190 8.8190 9.7294 9.7294 9.9829 9.9829 10.3495 10.3495 10.4493 10.4493 16.2245 16.2245 20.0734 20.0734 22.8611 22.8611 25.3092 25.3092 Writing output data file CuF.save init_run : 2.44s CPU 13.21s WALL ( 1 calls) electrons : 113.31s CPU 117.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.30s CPU 1.32s WALL ( 1 calls) Called by electrons: c_bands : 113.26s CPU 117.37s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.72s WALL ( 1 calls) v_h : 0.00s CPU 0.02s WALL ( 1 calls) v_xc : 0.09s CPU 0.32s WALL ( 1 calls) newd : 0.06s CPU 0.37s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 490 calls) cegterg : 80.75s CPU 81.56s WALL ( 490 calls) Called by sum_band: Called by *egterg: h_psi : 41.51s CPU 44.72s WALL ( 6797 calls) s_psi : 2.43s CPU 3.07s WALL ( 6797 calls) g_psi : 0.02s CPU 0.08s WALL ( 5817 calls) cdiaghg : 27.13s CPU 26.55s WALL ( 6307 calls) cegterg:over : 8.05s CPU 6.45s WALL ( 5817 calls) cegterg:upda : 0.07s CPU 0.58s WALL ( 5817 calls) cegterg:last : 0.09s CPU 0.45s WALL ( 1472 calls) Called by h_psi: h_psi:vloc : 35.21s CPU 38.33s WALL ( 6797 calls) h_psi:vnl : 6.29s CPU 6.34s WALL ( 6797 calls) add_vuspsi : 0.74s CPU 2.00s WALL ( 6797 calls) General routines calbec : 5.53s CPU 4.29s WALL ( 6797 calls) fft : 0.23s CPU 1.17s WALL ( 19 calls) ffts : 0.04s CPU 0.06s WALL ( 4 calls) fftw : 33.83s CPU 36.77s WALL ( 511140 calls) interpolate : 0.07s CPU 0.09s WALL ( 4 calls) davcio : 0.02s CPU 1.57s WALL ( 980 calls) Parallel routines fft_scatter : 24.48s CPU 26.42s WALL ( 511163 calls) PWSCF : 2m23.53s CPU 3m40.70s WALL This run was terminated on: 0: 9: 0 28Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=