Program PWSCF v.5.1.1 starts on 26Aug2015 at 8:21:24 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: ./SiC.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 15 8 2 285 109 18 Max 16 9 3 291 125 23 Sum 757 421 127 13851 5577 965 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.8245 a.u. unit-cell volume = 139.7228 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.824528 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 C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential C 4.00 12.01070 C( 1.00) Si 4.00 28.08550 Si( 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= 479 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 2) = ( 0.0068493 -0.0039545 0.0055924), wk = 0.0020877 k( 3) = ( 0.0136986 -0.0079089 0.0111849), wk = 0.0020877 k( 4) = ( 0.0205479 -0.0118634 0.0167773), wk = 0.0020877 k( 5) = ( 0.0273973 -0.0158178 0.0223698), wk = 0.0020877 k( 6) = ( 0.0342466 -0.0197723 0.0279622), wk = 0.0020877 k( 7) = ( 0.0410959 -0.0237267 0.0335547), wk = 0.0020877 k( 8) = ( 0.0479452 -0.0276812 0.0391471), wk = 0.0020877 k( 9) = ( 0.0547945 -0.0316356 0.0447395), wk = 0.0020877 k( 10) = ( 0.0616438 -0.0355901 0.0503320), wk = 0.0020877 k( 11) = ( 0.0684932 -0.0395445 0.0559244), wk = 0.0020877 k( 12) = ( 0.0753425 -0.0434990 0.0615169), wk = 0.0020877 k( 13) = ( 0.0821918 -0.0474534 0.0671093), wk = 0.0020877 k( 14) = ( 0.0890411 -0.0514079 0.0727018), wk = 0.0020877 k( 15) = ( 0.0958904 -0.0553624 0.0782942), wk = 0.0020877 k( 16) = ( 0.1027397 -0.0593168 0.0838866), wk = 0.0020877 k( 17) = ( 0.1095890 -0.0632713 0.0894791), wk = 0.0020877 k( 18) = ( 0.1164384 -0.0672257 0.0950715), wk = 0.0020877 k( 19) = ( 0.1232877 -0.0711802 0.1006640), wk = 0.0020877 k( 20) = ( 0.1301370 -0.0751346 0.1062564), wk = 0.0020877 k( 21) = ( 0.1369863 -0.0790891 0.1118488), wk = 0.0020877 k( 22) = ( 0.1438356 -0.0830435 0.1174413), wk = 0.0020877 k( 23) = ( 0.1506849 -0.0869980 0.1230337), wk = 0.0020877 k( 24) = ( 0.1575342 -0.0909524 0.1286262), wk = 0.0020877 k( 25) = ( 0.1643836 -0.0949069 0.1342186), wk = 0.0020877 k( 26) = ( 0.1712329 -0.0988613 0.1398111), wk = 0.0020877 k( 27) = ( 0.1780822 -0.1028158 0.1454035), wk = 0.0020877 k( 28) = ( 0.1849315 -0.1067703 0.1509959), wk = 0.0020877 k( 29) = ( 0.1917808 -0.1107247 0.1565884), wk = 0.0020877 k( 30) = ( 0.1986301 -0.1146792 0.1621808), wk = 0.0020877 k( 31) = ( 0.2054795 -0.1186336 0.1677733), wk = 0.0020877 k( 32) = ( 0.2123288 -0.1225881 0.1733657), wk = 0.0020877 k( 33) = ( 0.2191781 -0.1265425 0.1789582), wk = 0.0020877 k( 34) = ( 0.2260274 -0.1304970 0.1845506), wk = 0.0020877 k( 35) = ( 0.2328767 -0.1344514 0.1901430), wk = 0.0020877 k( 36) = ( 0.2397260 -0.1384059 0.1957355), wk = 0.0020877 k( 37) = ( 0.2465753 -0.1423603 0.2013279), wk = 0.0020877 k( 38) = ( 0.2534247 -0.1463148 0.2069204), wk = 0.0020877 k( 39) = ( 0.2602740 -0.1502692 0.2125128), wk = 0.0020877 k( 40) = ( 0.2671233 -0.1542237 0.2181053), wk = 0.0020877 k( 41) = ( 0.2739726 -0.1581782 0.2236977), wk = 0.0020877 k( 42) = ( 0.2808219 -0.1621326 0.2292901), wk = 0.0020877 k( 43) = ( 0.2876712 -0.1660871 0.2348826), wk = 0.0020877 k( 44) = ( 0.2945205 -0.1700415 0.2404750), wk = 0.0020877 k( 45) = ( 0.3013699 -0.1739960 0.2460675), wk = 0.0020877 k( 46) = ( 0.3082192 -0.1779504 0.2516599), wk = 0.0020877 k( 47) = ( 0.3150685 -0.1819049 0.2572523), wk = 0.0020877 k( 48) = ( 0.3219178 -0.1858593 0.2628448), wk = 0.0020877 k( 49) = ( 0.3287671 -0.1898138 0.2684372), wk = 0.0020877 k( 50) = ( 0.3356164 -0.1937682 0.2740297), wk = 0.0020877 k( 51) = ( 0.3424658 -0.1977227 0.2796221), wk = 0.0020877 k( 52) = ( 0.3493151 -0.2016771 0.2852146), wk = 0.0020877 k( 53) = ( 0.3561644 -0.2056316 0.2908070), wk = 0.0020877 k( 54) = ( 0.3630137 -0.2095861 0.2963994), wk = 0.0020877 k( 55) = ( 0.3698630 -0.2135405 0.3019919), wk = 0.0020877 k( 56) = ( 0.3767123 -0.2174950 0.3075843), wk = 0.0020877 k( 57) = ( 0.3835616 -0.2214494 0.3131768), wk = 0.0020877 k( 58) = ( 0.3904110 -0.2254039 0.3187692), wk = 0.0020877 k( 59) = ( 0.3972603 -0.2293583 0.3243617), wk = 0.0020877 k( 60) = ( 0.4041096 -0.2333128 0.3299541), wk = 0.0020877 k( 61) = ( 0.4109589 -0.2372672 0.3355465), wk = 0.0020877 k( 62) = ( 0.4178082 -0.2412217 0.3411390), wk = 0.0020877 k( 63) = ( 0.4246575 -0.2451761 0.3467314), wk = 0.0020877 k( 64) = ( 0.4315068 -0.2491306 0.3523239), wk = 0.0020877 k( 65) = ( 0.4383562 -0.2530850 0.3579163), wk = 0.0020877 k( 66) = ( 0.4452055 -0.2570395 0.3635088), wk = 0.0020877 k( 67) = ( 0.4520548 -0.2609940 0.3691012), wk = 0.0020877 k( 68) = ( 0.4589041 -0.2649484 0.3746936), wk = 0.0020877 k( 69) = ( 0.4657534 -0.2689029 0.3802861), wk = 0.0020877 k( 70) = ( 0.4726027 -0.2728573 0.3858785), wk = 0.0020877 k( 71) = ( 0.4794521 -0.2768118 0.3914710), wk = 0.0020877 k( 72) = ( 0.4863014 -0.2807662 0.3970634), wk = 0.0020877 k( 73) = ( 0.4931507 -0.2847207 0.4026558), wk = 0.0020877 k( 74) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020877 k( 75) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020877 k( 76) = ( 0.5000000 -0.2808731 0.4137652), wk = 0.0020877 k( 77) = ( 0.5000000 -0.2730711 0.4192820), wk = 0.0020877 k( 78) = ( 0.5000000 -0.2652690 0.4247989), wk = 0.0020877 k( 79) = ( 0.5000000 -0.2574670 0.4303158), wk = 0.0020877 k( 80) = ( 0.5000000 -0.2496650 0.4358326), wk = 0.0020877 k( 81) = ( 0.5000000 -0.2418630 0.4413495), wk = 0.0020877 k( 82) = ( 0.5000000 -0.2340609 0.4468664), wk = 0.0020877 k( 83) = ( 0.5000000 -0.2262589 0.4523832), wk = 0.0020877 k( 84) = ( 0.5000000 -0.2184569 0.4579001), wk = 0.0020877 k( 85) = ( 0.5000000 -0.2106548 0.4634170), wk = 0.0020877 k( 86) = ( 0.5000000 -0.2028528 0.4689338), wk = 0.0020877 k( 87) = ( 0.5000000 -0.1950508 0.4744507), wk = 0.0020877 k( 88) = ( 0.5000000 -0.1872487 0.4799676), wk = 0.0020877 k( 89) = ( 0.5000000 -0.1794467 0.4854844), wk = 0.0020877 k( 90) = ( 0.5000000 -0.1716447 0.4910013), wk = 0.0020877 k( 91) = ( 0.5000000 -0.1638426 0.4965182), wk = 0.0020877 k( 92) = ( 0.5000000 -0.1560406 0.5020351), wk = 0.0020877 k( 93) = ( 0.5000000 -0.1482386 0.5075519), wk = 0.0020877 k( 94) = ( 0.5000000 -0.1404366 0.5130688), wk = 0.0020877 k( 95) = ( 0.5000000 -0.1326345 0.5185857), wk = 0.0020877 k( 96) = ( 0.5000000 -0.1248325 0.5241025), wk = 0.0020877 k( 97) = ( 0.5000000 -0.1170305 0.5296194), wk = 0.0020877 k( 98) = ( 0.5000000 -0.1092284 0.5351363), wk = 0.0020877 k( 99) = ( 0.5000000 -0.1014264 0.5406531), wk = 0.0020877 k( 100) = ( 0.5000000 -0.0936244 0.5461700), wk = 0.0020877 k( 101) = ( 0.5000000 -0.0858223 0.5516869), wk = 0.0020877 k( 102) = ( 0.5000000 -0.0780203 0.5572037), wk = 0.0020877 k( 103) = ( 0.5000000 -0.0702183 0.5627206), wk = 0.0020877 k( 104) = ( 0.5000000 -0.0624162 0.5682375), wk = 0.0020877 k( 105) = ( 0.5000000 -0.0546142 0.5737544), wk = 0.0020877 k( 106) = ( 0.5000000 -0.0468122 0.5792712), wk = 0.0020877 k( 107) = ( 0.5000000 -0.0390101 0.5847881), wk = 0.0020877 k( 108) = ( 0.5000000 -0.0312081 0.5903050), wk = 0.0020877 k( 109) = ( 0.5000000 -0.0234061 0.5958218), wk = 0.0020877 k( 110) = ( 0.5000000 -0.0156041 0.6013387), wk = 0.0020877 k( 111) = ( 0.5000000 -0.0078020 0.6068556), wk = 0.0020877 k( 112) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020877 k( 113) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020877 k( 114) = ( 0.4951923 0.0083272 0.6123724), wk = 0.0020877 k( 115) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0020877 k( 116) = ( 0.4855769 0.0249815 0.6123724), wk = 0.0020877 k( 117) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0020877 k( 118) = ( 0.4759615 0.0416358 0.6123724), wk = 0.0020877 k( 119) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0020877 k( 120) = ( 0.4663462 0.0582902 0.6123724), wk = 0.0020877 k( 121) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0020877 k( 122) = ( 0.4567308 0.0749445 0.6123724), wk = 0.0020877 k( 123) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0020877 k( 124) = ( 0.4471154 0.0915988 0.6123724), wk = 0.0020877 k( 125) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0020877 k( 126) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0020877 k( 127) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0020877 k( 128) = ( 0.4278846 0.1249075 0.6123724), wk = 0.0020877 k( 129) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0020877 k( 130) = ( 0.4182692 0.1415618 0.6123724), wk = 0.0020877 k( 131) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0020877 k( 132) = ( 0.4086538 0.1582162 0.6123724), wk = 0.0020877 k( 133) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0020877 k( 134) = ( 0.3990385 0.1748705 0.6123724), wk = 0.0020877 k( 135) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0020877 k( 136) = ( 0.3894231 0.1915248 0.6123724), wk = 0.0020877 k( 137) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0020877 k( 138) = ( 0.3798077 0.2081792 0.6123724), wk = 0.0020877 k( 139) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020877 k( 140) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020877 k( 141) = ( 0.3701299 0.2136946 0.6044195), wk = 0.0020877 k( 142) = ( 0.3652597 0.2108828 0.5964667), wk = 0.0020877 k( 143) = ( 0.3603896 0.2080710 0.5885138), wk = 0.0020877 k( 144) = ( 0.3555195 0.2052593 0.5805609), wk = 0.0020877 k( 145) = ( 0.3506494 0.2024475 0.5726080), wk = 0.0020877 k( 146) = ( 0.3457792 0.1996357 0.5646551), wk = 0.0020877 k( 147) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0020877 k( 148) = ( 0.3360390 0.1940122 0.5487493), wk = 0.0020877 k( 149) = ( 0.3311688 0.1912004 0.5407964), wk = 0.0020877 k( 150) = ( 0.3262987 0.1883886 0.5328435), wk = 0.0020877 k( 151) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0020877 k( 152) = ( 0.3165584 0.1827651 0.5169378), wk = 0.0020877 k( 153) = ( 0.3116883 0.1799533 0.5089849), wk = 0.0020877 k( 154) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0020877 k( 155) = ( 0.3019481 0.1743298 0.4930791), wk = 0.0020877 k( 156) = ( 0.2970779 0.1715180 0.4851262), wk = 0.0020877 k( 157) = ( 0.2922078 0.1687062 0.4771733), wk = 0.0020877 k( 158) = ( 0.2873377 0.1658945 0.4692204), wk = 0.0020877 k( 159) = ( 0.2824675 0.1630827 0.4612675), wk = 0.0020877 k( 160) = ( 0.2775974 0.1602709 0.4533147), wk = 0.0020877 k( 161) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0020877 k( 162) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0020877 k( 163) = ( 0.2629870 0.1518356 0.4294560), wk = 0.0020877 k( 164) = ( 0.2581169 0.1490239 0.4215031), wk = 0.0020877 k( 165) = ( 0.2532468 0.1462121 0.4135502), wk = 0.0020877 k( 166) = ( 0.2483766 0.1434003 0.4055973), wk = 0.0020877 k( 167) = ( 0.2435065 0.1405885 0.3976444), wk = 0.0020877 k( 168) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0020877 k( 169) = ( 0.2337662 0.1349650 0.3817387), wk = 0.0020877 k( 170) = ( 0.2288961 0.1321532 0.3737858), wk = 0.0020877 k( 171) = ( 0.2240260 0.1293415 0.3658329), wk = 0.0020877 k( 172) = ( 0.2191558 0.1265297 0.3578800), wk = 0.0020877 k( 173) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0020877 k( 174) = ( 0.2094156 0.1209061 0.3419742), wk = 0.0020877 k( 175) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0020877 k( 176) = ( 0.1996753 0.1152826 0.3260684), wk = 0.0020877 k( 177) = ( 0.1948052 0.1124708 0.3181156), wk = 0.0020877 k( 178) = ( 0.1899351 0.1096591 0.3101627), wk = 0.0020877 k( 179) = ( 0.1850649 0.1068473 0.3022098), wk = 0.0020877 k( 180) = ( 0.1801948 0.1040355 0.2942569), wk = 0.0020877 k( 181) = ( 0.1753247 0.1012238 0.2863040), wk = 0.0020877 k( 182) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0020877 k( 183) = ( 0.1655844 0.0956002 0.2703982), wk = 0.0020877 k( 184) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0020877 k( 185) = ( 0.1558442 0.0899767 0.2544924), wk = 0.0020877 k( 186) = ( 0.1509740 0.0871649 0.2465395), wk = 0.0020877 k( 187) = ( 0.1461039 0.0843531 0.2385867), wk = 0.0020877 k( 188) = ( 0.1412338 0.0815414 0.2306338), wk = 0.0020877 k( 189) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0020877 k( 190) = ( 0.1314935 0.0759178 0.2147280), wk = 0.0020877 k( 191) = ( 0.1266234 0.0731060 0.2067751), wk = 0.0020877 k( 192) = ( 0.1217532 0.0702943 0.1988222), wk = 0.0020877 k( 193) = ( 0.1168831 0.0674825 0.1908693), wk = 0.0020877 k( 194) = ( 0.1120130 0.0646707 0.1829164), wk = 0.0020877 k( 195) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0020877 k( 196) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0020877 k( 197) = ( 0.0974026 0.0562354 0.1590578), wk = 0.0020877 k( 198) = ( 0.0925325 0.0534236 0.1511049), wk = 0.0020877 k( 199) = ( 0.0876623 0.0506119 0.1431520), wk = 0.0020877 k( 200) = ( 0.0827922 0.0478001 0.1351991), wk = 0.0020877 k( 201) = ( 0.0779221 0.0449883 0.1272462), wk = 0.0020877 k( 202) = ( 0.0730520 0.0421766 0.1192933), wk = 0.0020877 k( 203) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0020877 k( 204) = ( 0.0633117 0.0365530 0.1033876), wk = 0.0020877 k( 205) = ( 0.0584416 0.0337413 0.0954347), wk = 0.0020877 k( 206) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0020877 k( 207) = ( 0.0487013 0.0281177 0.0795289), wk = 0.0020877 k( 208) = ( 0.0438312 0.0253059 0.0715760), wk = 0.0020877 k( 209) = ( 0.0389610 0.0224942 0.0636231), wk = 0.0020877 k( 210) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0020877 k( 211) = ( 0.0292208 0.0168706 0.0477173), wk = 0.0020877 k( 212) = ( 0.0243507 0.0140589 0.0397644), wk = 0.0020877 k( 213) = ( 0.0194805 0.0112471 0.0318116), wk = 0.0020877 k( 214) = ( 0.0146104 0.0084353 0.0238587), wk = 0.0020877 k( 215) = ( 0.0097403 0.0056235 0.0159058), wk = 0.0020877 k( 216) = ( 0.0048701 0.0028118 0.0079529), wk = 0.0020877 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 219) = ( 0.0079365 0.0045821 0.0032401), wk = 0.0020877 k( 220) = ( 0.0158730 0.0091643 0.0064801), wk = 0.0020877 k( 221) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0020877 k( 222) = ( 0.0317460 0.0183286 0.0129603), wk = 0.0020877 k( 223) = ( 0.0396825 0.0229107 0.0162003), wk = 0.0020877 k( 224) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0020877 k( 225) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0020877 k( 226) = ( 0.0634921 0.0366572 0.0259205), wk = 0.0020877 k( 227) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0020877 k( 228) = ( 0.0793651 0.0458215 0.0324007), wk = 0.0020877 k( 229) = ( 0.0873016 0.0504036 0.0356407), wk = 0.0020877 k( 230) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0020877 k( 231) = ( 0.1031746 0.0595679 0.0421209), wk = 0.0020877 k( 232) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0020877 k( 233) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0020877 k( 234) = ( 0.1269841 0.0733143 0.0518411), wk = 0.0020877 k( 235) = ( 0.1349206 0.0778965 0.0550811), wk = 0.0020877 k( 236) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0020877 k( 237) = ( 0.1507937 0.0870608 0.0615612), wk = 0.0020877 k( 238) = ( 0.1587302 0.0916429 0.0648013), wk = 0.0020877 k( 239) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0020877 k( 240) = ( 0.1746032 0.1008072 0.0712814), wk = 0.0020877 k( 241) = ( 0.1825397 0.1053893 0.0745215), wk = 0.0020877 k( 242) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0020877 k( 243) = ( 0.1984127 0.1145536 0.0810016), wk = 0.0020877 k( 244) = ( 0.2063492 0.1191358 0.0842417), wk = 0.0020877 k( 245) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0020877 k( 246) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0020877 k( 247) = ( 0.2301587 0.1328822 0.0939619), wk = 0.0020877 k( 248) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0020877 k( 249) = ( 0.2460317 0.1420465 0.1004420), wk = 0.0020877 k( 250) = ( 0.2539683 0.1466286 0.1036821), wk = 0.0020877 k( 251) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0020877 k( 252) = ( 0.2698413 0.1557929 0.1101622), wk = 0.0020877 k( 253) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0020877 k( 254) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0020877 k( 255) = ( 0.2936508 0.1695394 0.1198824), wk = 0.0020877 k( 256) = ( 0.3015873 0.1741215 0.1231225), wk = 0.0020877 k( 257) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0020877 k( 258) = ( 0.3174603 0.1832858 0.1296026), wk = 0.0020877 k( 259) = ( 0.3253968 0.1878679 0.1328427), wk = 0.0020877 k( 260) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0020877 k( 261) = ( 0.3412698 0.1970322 0.1393228), wk = 0.0020877 k( 262) = ( 0.3492063 0.2016144 0.1425629), wk = 0.0020877 k( 263) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0020877 k( 264) = ( 0.3650794 0.2107787 0.1490430), wk = 0.0020877 k( 265) = ( 0.3730159 0.2153608 0.1522831), wk = 0.0020877 k( 266) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0020877 k( 267) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0020877 k( 268) = ( 0.3968254 0.2291073 0.1620033), wk = 0.0020877 k( 269) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0020877 k( 270) = ( 0.4126984 0.2382715 0.1684834), wk = 0.0020877 k( 271) = ( 0.4206349 0.2428537 0.1717235), wk = 0.0020877 k( 272) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0020877 k( 273) = ( 0.4365079 0.2520180 0.1782036), wk = 0.0020877 k( 274) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0020877 k( 275) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0020877 k( 276) = ( 0.4603175 0.2657644 0.1879238), wk = 0.0020877 k( 277) = ( 0.4682540 0.2703466 0.1911639), wk = 0.0020877 k( 278) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0020877 k( 279) = ( 0.4841270 0.2795108 0.1976440), wk = 0.0020877 k( 280) = ( 0.4920635 0.2840930 0.2008841), wk = 0.0020877 k( 281) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020877 k( 282) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020877 k( 283) = ( 0.5027778 0.2806564 0.2086602), wk = 0.0020877 k( 284) = ( 0.5055556 0.2726376 0.2131963), wk = 0.0020877 k( 285) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0020877 k( 286) = ( 0.5111111 0.2566001 0.2222685), wk = 0.0020877 k( 287) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0020877 k( 288) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0020877 k( 289) = ( 0.5194444 0.2325439 0.2358768), wk = 0.0020877 k( 290) = ( 0.5222222 0.2245251 0.2404129), wk = 0.0020877 k( 291) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0020877 k( 292) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0020877 k( 293) = ( 0.5305556 0.2004688 0.2540212), wk = 0.0020877 k( 294) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0020877 k( 295) = ( 0.5361111 0.1844313 0.2630933), wk = 0.0020877 k( 296) = ( 0.5388889 0.1764126 0.2676294), wk = 0.0020877 k( 297) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0020877 k( 298) = ( 0.5444444 0.1603751 0.2767016), wk = 0.0020877 k( 299) = ( 0.5472222 0.1523563 0.2812377), wk = 0.0020877 k( 300) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0020877 k( 301) = ( 0.5527778 0.1363188 0.2903099), wk = 0.0020877 k( 302) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0020877 k( 303) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0020877 k( 304) = ( 0.5611111 0.1122626 0.3039182), wk = 0.0020877 k( 305) = ( 0.5638889 0.1042438 0.3084543), wk = 0.0020877 k( 306) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0020877 k( 307) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0020877 k( 308) = ( 0.5722222 0.0801875 0.3220625), wk = 0.0020877 k( 309) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0020877 k( 310) = ( 0.5777778 0.0641500 0.3311347), wk = 0.0020877 k( 311) = ( 0.5805556 0.0561313 0.3356708), wk = 0.0020877 k( 312) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0020877 k( 313) = ( 0.5861111 0.0400938 0.3447430), wk = 0.0020877 k( 314) = ( 0.5888889 0.0320750 0.3492791), wk = 0.0020877 k( 315) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0020877 k( 316) = ( 0.5944444 0.0160375 0.3583513), wk = 0.0020877 k( 317) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0020877 k( 318) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0020877 k( 319) = ( 0.6027778 -0.0080188 0.3719596), wk = 0.0020877 k( 320) = ( 0.6055556 -0.0160375 0.3764956), wk = 0.0020877 k( 321) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0020877 k( 322) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0020877 k( 323) = ( 0.6138889 -0.0400938 0.3901039), wk = 0.0020877 k( 324) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0020877 k( 325) = ( 0.6194444 -0.0561313 0.3991761), wk = 0.0020877 k( 326) = ( 0.6222222 -0.0641500 0.4037122), wk = 0.0020877 k( 327) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020877 k( 328) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020877 k( 329) = ( 0.6201923 -0.0693931 0.4160992), wk = 0.0020877 k( 330) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0020877 k( 331) = ( 0.6105769 -0.0638416 0.4318011), wk = 0.0020877 k( 332) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0020877 k( 333) = ( 0.6009615 -0.0582902 0.4475029), wk = 0.0020877 k( 334) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0020877 k( 335) = ( 0.5913462 -0.0527387 0.4632048), wk = 0.0020877 k( 336) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0020877 k( 337) = ( 0.5817308 -0.0471873 0.4789066), wk = 0.0020877 k( 338) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0020877 k( 339) = ( 0.5721154 -0.0416358 0.4946085), wk = 0.0020877 k( 340) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0020877 k( 341) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0020877 k( 342) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0020877 k( 343) = ( 0.5528846 -0.0305329 0.5260122), wk = 0.0020877 k( 344) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0020877 k( 345) = ( 0.5432692 -0.0249815 0.5417141), wk = 0.0020877 k( 346) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0020877 k( 347) = ( 0.5336538 -0.0194301 0.5574159), wk = 0.0020877 k( 348) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0020877 k( 349) = ( 0.5240385 -0.0138786 0.5731178), wk = 0.0020877 k( 350) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0020877 k( 351) = ( 0.5144231 -0.0083272 0.5888196), wk = 0.0020877 k( 352) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0020877 k( 353) = ( 0.5048077 -0.0027757 0.6045215), wk = 0.0020877 k( 354) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020877 k( 355) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020877 k( 356) = ( 0.5000000 0.0056603 0.6043676), wk = 0.0020877 k( 357) = ( 0.5000000 0.0113206 0.5963627), wk = 0.0020877 k( 358) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0020877 k( 359) = ( 0.5000000 0.0226412 0.5803530), wk = 0.0020877 k( 360) = ( 0.5000000 0.0283015 0.5723481), wk = 0.0020877 k( 361) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0020877 k( 362) = ( 0.5000000 0.0396221 0.5563383), wk = 0.0020877 k( 363) = ( 0.5000000 0.0452824 0.5483335), wk = 0.0020877 k( 364) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0020877 k( 365) = ( 0.5000000 0.0566030 0.5323237), wk = 0.0020877 k( 366) = ( 0.5000000 0.0622633 0.5243189), wk = 0.0020877 k( 367) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0020877 k( 368) = ( 0.5000000 0.0735839 0.5083091), wk = 0.0020877 k( 369) = ( 0.5000000 0.0792442 0.5003043), wk = 0.0020877 k( 370) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0020877 k( 371) = ( 0.5000000 0.0905647 0.4842945), wk = 0.0020877 k( 372) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0020877 k( 373) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0020877 k( 374) = ( 0.5000000 0.1075456 0.4602799), wk = 0.0020877 k( 375) = ( 0.5000000 0.1132059 0.4522751), wk = 0.0020877 k( 376) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0020877 k( 377) = ( 0.5000000 0.1245265 0.4362653), wk = 0.0020877 k( 378) = ( 0.5000000 0.1301868 0.4282605), wk = 0.0020877 k( 379) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0020877 k( 380) = ( 0.5000000 0.1415074 0.4122507), wk = 0.0020877 k( 381) = ( 0.5000000 0.1471677 0.4042459), wk = 0.0020877 k( 382) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0020877 k( 383) = ( 0.5000000 0.1584883 0.3882361), wk = 0.0020877 k( 384) = ( 0.5000000 0.1641486 0.3802313), wk = 0.0020877 k( 385) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0020877 k( 386) = ( 0.5000000 0.1754692 0.3642215), wk = 0.0020877 k( 387) = ( 0.5000000 0.1811295 0.3562166), wk = 0.0020877 k( 388) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0020877 k( 389) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0020877 k( 390) = ( 0.5000000 0.1981104 0.3322020), wk = 0.0020877 k( 391) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0020877 k( 392) = ( 0.5000000 0.2094310 0.3161923), wk = 0.0020877 k( 393) = ( 0.5000000 0.2150913 0.3081874), wk = 0.0020877 k( 394) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0020877 k( 395) = ( 0.5000000 0.2264119 0.2921777), wk = 0.0020877 k( 396) = ( 0.5000000 0.2320722 0.2841728), wk = 0.0020877 k( 397) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0020877 k( 398) = ( 0.5000000 0.2433928 0.2681631), wk = 0.0020877 k( 399) = ( 0.5000000 0.2490531 0.2601582), wk = 0.0020877 k( 400) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0020877 k( 401) = ( 0.5000000 0.2603737 0.2441485), wk = 0.0020877 k( 402) = ( 0.5000000 0.2660340 0.2361436), wk = 0.0020877 k( 403) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0020877 k( 404) = ( 0.5000000 0.2773545 0.2201339), wk = 0.0020877 k( 405) = ( 0.5000000 0.2830148 0.2121290), wk = 0.0020877 k( 406) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020877 k( 407) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020877 k( 408) = ( 0.4972222 0.2870714 0.2131963), wk = 0.0020877 k( 409) = ( 0.4944444 0.2854676 0.2222685), wk = 0.0020877 k( 410) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0020877 k( 411) = ( 0.4888889 0.2822601 0.2404129), wk = 0.0020877 k( 412) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0020877 k( 413) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0020877 k( 414) = ( 0.4805556 0.2774489 0.2676294), wk = 0.0020877 k( 415) = ( 0.4777778 0.2758451 0.2767016), wk = 0.0020877 k( 416) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0020877 k( 417) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0020877 k( 418) = ( 0.4694444 0.2710339 0.3039182), wk = 0.0020877 k( 419) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0020877 k( 420) = ( 0.4638889 0.2678264 0.3220625), wk = 0.0020877 k( 421) = ( 0.4611111 0.2662226 0.3311347), wk = 0.0020877 k( 422) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0020877 k( 423) = ( 0.4555556 0.2630151 0.3492791), wk = 0.0020877 k( 424) = ( 0.4527778 0.2614114 0.3583513), wk = 0.0020877 k( 425) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0020877 k( 426) = ( 0.4472222 0.2582039 0.3764957), wk = 0.0020877 k( 427) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0020877 k( 428) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0020877 k( 429) = ( 0.4388889 0.2533926 0.4037122), wk = 0.0020877 k( 430) = ( 0.4361111 0.2517889 0.4127844), wk = 0.0020877 k( 431) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0020877 k( 432) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0020877 k( 433) = ( 0.4277778 0.2469776 0.4400009), wk = 0.0020877 k( 434) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0020877 k( 435) = ( 0.4222222 0.2437701 0.4581453), wk = 0.0020877 k( 436) = ( 0.4194444 0.2421664 0.4672175), wk = 0.0020877 k( 437) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0020877 k( 438) = ( 0.4138889 0.2389589 0.4853619), wk = 0.0020877 k( 439) = ( 0.4111111 0.2373551 0.4944340), wk = 0.0020877 k( 440) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0020877 k( 441) = ( 0.4055556 0.2341476 0.5125784), wk = 0.0020877 k( 442) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0020877 k( 443) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0020877 k( 444) = ( 0.3972222 0.2293364 0.5397950), wk = 0.0020877 k( 445) = ( 0.3944444 0.2277326 0.5488671), wk = 0.0020877 k( 446) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0020877 k( 447) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0020877 k( 448) = ( 0.3861111 0.2229214 0.5760837), wk = 0.0020877 k( 449) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0020877 k( 450) = ( 0.3805556 0.2197139 0.5942281), wk = 0.0020877 k( 451) = ( 0.3777778 0.2181101 0.6033002), wk = 0.0020877 k( 452) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020877 k( 453) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020877 k( 454) = ( 0.6201923 -0.0804959 0.4082483), wk = 0.0020877 k( 455) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0020877 k( 456) = ( 0.6105769 -0.0971503 0.4082483), wk = 0.0020877 k( 457) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0020877 k( 458) = ( 0.6009615 -0.1138046 0.4082483), wk = 0.0020877 k( 459) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0020877 k( 460) = ( 0.5913462 -0.1304590 0.4082483), wk = 0.0020877 k( 461) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0020877 k( 462) = ( 0.5817308 -0.1471133 0.4082483), wk = 0.0020877 k( 463) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0020877 k( 464) = ( 0.5721154 -0.1637676 0.4082483), wk = 0.0020877 k( 465) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0020877 k( 466) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0020877 k( 467) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0020877 k( 468) = ( 0.5528846 -0.1970763 0.4082483), wk = 0.0020877 k( 469) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0020877 k( 470) = ( 0.5432692 -0.2137306 0.4082483), wk = 0.0020877 k( 471) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0020877 k( 472) = ( 0.5336538 -0.2303850 0.4082483), wk = 0.0020877 k( 473) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0020877 k( 474) = ( 0.5240385 -0.2470393 0.4082483), wk = 0.0020877 k( 475) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0020877 k( 476) = ( 0.5144231 -0.2636936 0.4082483), wk = 0.0020877 k( 477) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0020877 k( 478) = ( 0.5048077 -0.2803480 0.4082483), wk = 0.0020877 k( 479) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020877 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 2) = ( 0.0068493 0.0000000 0.0068493), wk = 0.0020877 k( 3) = ( 0.0136986 0.0000000 0.0136986), wk = 0.0020877 k( 4) = ( 0.0205479 -0.0000000 0.0205479), wk = 0.0020877 k( 5) = ( 0.0273973 0.0000000 0.0273973), wk = 0.0020877 k( 6) = ( 0.0342466 0.0000000 0.0342466), wk = 0.0020877 k( 7) = ( 0.0410959 -0.0000000 0.0410959), wk = 0.0020877 k( 8) = ( 0.0479452 -0.0000000 0.0479452), wk = 0.0020877 k( 9) = ( 0.0547945 0.0000000 0.0547945), wk = 0.0020877 k( 10) = ( 0.0616438 -0.0000000 0.0616438), wk = 0.0020877 k( 11) = ( 0.0684932 0.0000000 0.0684932), wk = 0.0020877 k( 12) = ( 0.0753425 0.0000000 0.0753425), wk = 0.0020877 k( 13) = ( 0.0821918 -0.0000000 0.0821918), wk = 0.0020877 k( 14) = ( 0.0890411 0.0000000 0.0890411), wk = 0.0020877 k( 15) = ( 0.0958904 -0.0000000 0.0958904), wk = 0.0020877 k( 16) = ( 0.1027397 -0.0000000 0.1027397), wk = 0.0020877 k( 17) = ( 0.1095890 0.0000000 0.1095890), wk = 0.0020877 k( 18) = ( 0.1164384 0.0000000 0.1164384), wk = 0.0020877 k( 19) = ( 0.1232877 -0.0000000 0.1232877), wk = 0.0020877 k( 20) = ( 0.1301370 0.0000000 0.1301370), wk = 0.0020877 k( 21) = ( 0.1369863 0.0000000 0.1369863), wk = 0.0020877 k( 22) = ( 0.1438356 -0.0000000 0.1438356), wk = 0.0020877 k( 23) = ( 0.1506849 0.0000000 0.1506849), wk = 0.0020877 k( 24) = ( 0.1575342 0.0000000 0.1575342), wk = 0.0020877 k( 25) = ( 0.1643836 -0.0000000 0.1643836), wk = 0.0020877 k( 26) = ( 0.1712329 0.0000000 0.1712329), wk = 0.0020877 k( 27) = ( 0.1780822 0.0000000 0.1780822), wk = 0.0020877 k( 28) = ( 0.1849315 -0.0000000 0.1849315), wk = 0.0020877 k( 29) = ( 0.1917808 -0.0000000 0.1917808), wk = 0.0020877 k( 30) = ( 0.1986301 0.0000000 0.1986301), wk = 0.0020877 k( 31) = ( 0.2054795 -0.0000000 0.2054795), wk = 0.0020877 k( 32) = ( 0.2123288 -0.0000000 0.2123288), wk = 0.0020877 k( 33) = ( 0.2191781 0.0000000 0.2191781), wk = 0.0020877 k( 34) = ( 0.2260274 -0.0000000 0.2260274), wk = 0.0020877 k( 35) = ( 0.2328767 0.0000000 0.2328767), wk = 0.0020877 k( 36) = ( 0.2397260 -0.0000000 0.2397260), wk = 0.0020877 k( 37) = ( 0.2465753 -0.0000000 0.2465753), wk = 0.0020877 k( 38) = ( 0.2534247 0.0000000 0.2534247), wk = 0.0020877 k( 39) = ( 0.2602740 0.0000000 0.2602740), wk = 0.0020877 k( 40) = ( 0.2671233 -0.0000000 0.2671233), wk = 0.0020877 k( 41) = ( 0.2739726 0.0000000 0.2739726), wk = 0.0020877 k( 42) = ( 0.2808219 -0.0000000 0.2808219), wk = 0.0020877 k( 43) = ( 0.2876712 0.0000000 0.2876712), wk = 0.0020877 k( 44) = ( 0.2945205 0.0000000 0.2945205), wk = 0.0020877 k( 45) = ( 0.3013699 0.0000000 0.3013699), wk = 0.0020877 k( 46) = ( 0.3082192 0.0000000 0.3082192), wk = 0.0020877 k( 47) = ( 0.3150685 -0.0000000 0.3150685), wk = 0.0020877 k( 48) = ( 0.3219178 0.0000000 0.3219178), wk = 0.0020877 k( 49) = ( 0.3287671 -0.0000000 0.3287671), wk = 0.0020877 k( 50) = ( 0.3356164 -0.0000000 0.3356164), wk = 0.0020877 k( 51) = ( 0.3424658 0.0000000 0.3424658), wk = 0.0020877 k( 52) = ( 0.3493151 -0.0000000 0.3493151), wk = 0.0020877 k( 53) = ( 0.3561644 0.0000000 0.3561644), wk = 0.0020877 k( 54) = ( 0.3630137 -0.0000000 0.3630137), wk = 0.0020877 k( 55) = ( 0.3698630 0.0000000 0.3698630), wk = 0.0020877 k( 56) = ( 0.3767123 0.0000000 0.3767123), wk = 0.0020877 k( 57) = ( 0.3835616 -0.0000000 0.3835616), wk = 0.0020877 k( 58) = ( 0.3904110 0.0000000 0.3904110), wk = 0.0020877 k( 59) = ( 0.3972603 -0.0000000 0.3972603), wk = 0.0020877 k( 60) = ( 0.4041096 -0.0000000 0.4041096), wk = 0.0020877 k( 61) = ( 0.4109589 -0.0000000 0.4109589), wk = 0.0020877 k( 62) = ( 0.4178082 -0.0000000 0.4178082), wk = 0.0020877 k( 63) = ( 0.4246575 0.0000000 0.4246575), wk = 0.0020877 k( 64) = ( 0.4315068 -0.0000000 0.4315069), wk = 0.0020877 k( 65) = ( 0.4383562 0.0000000 0.4383562), wk = 0.0020877 k( 66) = ( 0.4452055 0.0000000 0.4452055), wk = 0.0020877 k( 67) = ( 0.4520548 -0.0000000 0.4520548), wk = 0.0020877 k( 68) = ( 0.4589041 -0.0000000 0.4589041), wk = 0.0020877 k( 69) = ( 0.4657534 0.0000000 0.4657534), wk = 0.0020877 k( 70) = ( 0.4726027 -0.0000000 0.4726027), wk = 0.0020877 k( 71) = ( 0.4794521 -0.0000000 0.4794521), wk = 0.0020877 k( 72) = ( 0.4863014 0.0000000 0.4863014), wk = 0.0020877 k( 73) = ( 0.4931507 -0.0000000 0.4931507), wk = 0.0020877 k( 74) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020877 k( 75) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020877 k( 76) = ( 0.5000000 0.0067568 0.5067568), wk = 0.0020877 k( 77) = ( 0.5000000 0.0135135 0.5135135), wk = 0.0020877 k( 78) = ( 0.5000000 0.0202703 0.5202703), wk = 0.0020877 k( 79) = ( 0.5000000 0.0270270 0.5270270), wk = 0.0020877 k( 80) = ( 0.5000000 0.0337838 0.5337838), wk = 0.0020877 k( 81) = ( 0.5000000 0.0405405 0.5405405), wk = 0.0020877 k( 82) = ( 0.5000000 0.0472973 0.5472973), wk = 0.0020877 k( 83) = ( 0.5000000 0.0540540 0.5540540), wk = 0.0020877 k( 84) = ( 0.5000000 0.0608108 0.5608108), wk = 0.0020877 k( 85) = ( 0.5000000 0.0675676 0.5675676), wk = 0.0020877 k( 86) = ( 0.5000000 0.0743243 0.5743243), wk = 0.0020877 k( 87) = ( 0.5000000 0.0810811 0.5810811), wk = 0.0020877 k( 88) = ( 0.5000000 0.0878378 0.5878378), wk = 0.0020877 k( 89) = ( 0.5000000 0.0945946 0.5945946), wk = 0.0020877 k( 90) = ( 0.5000000 0.1013513 0.6013514), wk = 0.0020877 k( 91) = ( 0.5000000 0.1081081 0.6081081), wk = 0.0020877 k( 92) = ( 0.5000000 0.1148649 0.6148649), wk = 0.0020877 k( 93) = ( 0.5000000 0.1216216 0.6216216), wk = 0.0020877 k( 94) = ( 0.5000000 0.1283784 0.6283784), wk = 0.0020877 k( 95) = ( 0.5000000 0.1351351 0.6351351), wk = 0.0020877 k( 96) = ( 0.5000000 0.1418919 0.6418919), wk = 0.0020877 k( 97) = ( 0.5000000 0.1486486 0.6486487), wk = 0.0020877 k( 98) = ( 0.5000000 0.1554054 0.6554054), wk = 0.0020877 k( 99) = ( 0.5000000 0.1621622 0.6621622), wk = 0.0020877 k( 100) = ( 0.5000000 0.1689189 0.6689189), wk = 0.0020877 k( 101) = ( 0.5000000 0.1756757 0.6756757), wk = 0.0020877 k( 102) = ( 0.5000000 0.1824324 0.6824324), wk = 0.0020877 k( 103) = ( 0.5000000 0.1891892 0.6891892), wk = 0.0020877 k( 104) = ( 0.5000000 0.1959460 0.6959460), wk = 0.0020877 k( 105) = ( 0.5000000 0.2027027 0.7027027), wk = 0.0020877 k( 106) = ( 0.5000000 0.2094595 0.7094595), wk = 0.0020877 k( 107) = ( 0.5000000 0.2162162 0.7162162), wk = 0.0020877 k( 108) = ( 0.5000000 0.2229730 0.7229730), wk = 0.0020877 k( 109) = ( 0.5000000 0.2297297 0.7297297), wk = 0.0020877 k( 110) = ( 0.5000000 0.2364865 0.7364865), wk = 0.0020877 k( 111) = ( 0.5000000 0.2432432 0.7432432), wk = 0.0020877 k( 112) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020877 k( 113) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020877 k( 114) = ( 0.4951923 0.2548077 0.7500000), wk = 0.0020877 k( 115) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0020877 k( 116) = ( 0.4855769 0.2644231 0.7500000), wk = 0.0020877 k( 117) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0020877 k( 118) = ( 0.4759615 0.2740385 0.7500000), wk = 0.0020877 k( 119) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0020877 k( 120) = ( 0.4663462 0.2836538 0.7500000), wk = 0.0020877 k( 121) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0020877 k( 122) = ( 0.4567308 0.2932692 0.7500000), wk = 0.0020877 k( 123) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0020877 k( 124) = ( 0.4471154 0.3028846 0.7500000), wk = 0.0020877 k( 125) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0020877 k( 126) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0020877 k( 127) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0020877 k( 128) = ( 0.4278846 0.3221154 0.7500000), wk = 0.0020877 k( 129) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0020877 k( 130) = ( 0.4182692 0.3317308 0.7500000), wk = 0.0020877 k( 131) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0020877 k( 132) = ( 0.4086538 0.3413462 0.7500000), wk = 0.0020877 k( 133) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0020877 k( 134) = ( 0.3990385 0.3509615 0.7500000), wk = 0.0020877 k( 135) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0020877 k( 136) = ( 0.3894231 0.3605769 0.7500000), wk = 0.0020877 k( 137) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0020877 k( 138) = ( 0.3798077 0.3701923 0.7500000), wk = 0.0020877 k( 139) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020877 k( 140) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020877 k( 141) = ( 0.3701299 0.3701299 0.7402597), wk = 0.0020877 k( 142) = ( 0.3652597 0.3652597 0.7305195), wk = 0.0020877 k( 143) = ( 0.3603896 0.3603896 0.7207792), wk = 0.0020877 k( 144) = ( 0.3555195 0.3555195 0.7110390), wk = 0.0020877 k( 145) = ( 0.3506494 0.3506494 0.7012987), wk = 0.0020877 k( 146) = ( 0.3457792 0.3457792 0.6915584), wk = 0.0020877 k( 147) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0020877 k( 148) = ( 0.3360390 0.3360390 0.6720779), wk = 0.0020877 k( 149) = ( 0.3311688 0.3311688 0.6623377), wk = 0.0020877 k( 150) = ( 0.3262987 0.3262987 0.6525974), wk = 0.0020877 k( 151) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0020877 k( 152) = ( 0.3165584 0.3165584 0.6331169), wk = 0.0020877 k( 153) = ( 0.3116883 0.3116883 0.6233766), wk = 0.0020877 k( 154) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0020877 k( 155) = ( 0.3019481 0.3019481 0.6038961), wk = 0.0020877 k( 156) = ( 0.2970779 0.2970779 0.5941558), wk = 0.0020877 k( 157) = ( 0.2922078 0.2922078 0.5844156), wk = 0.0020877 k( 158) = ( 0.2873377 0.2873377 0.5746753), wk = 0.0020877 k( 159) = ( 0.2824675 0.2824675 0.5649351), wk = 0.0020877 k( 160) = ( 0.2775974 0.2775974 0.5551948), wk = 0.0020877 k( 161) = ( 0.2727273 0.2727273 0.5454546), wk = 0.0020877 k( 162) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0020877 k( 163) = ( 0.2629870 0.2629870 0.5259740), wk = 0.0020877 k( 164) = ( 0.2581169 0.2581169 0.5162338), wk = 0.0020877 k( 165) = ( 0.2532468 0.2532468 0.5064935), wk = 0.0020877 k( 166) = ( 0.2483766 0.2483766 0.4967532), wk = 0.0020877 k( 167) = ( 0.2435065 0.2435065 0.4870130), wk = 0.0020877 k( 168) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0020877 k( 169) = ( 0.2337662 0.2337662 0.4675325), wk = 0.0020877 k( 170) = ( 0.2288961 0.2288961 0.4577922), wk = 0.0020877 k( 171) = ( 0.2240260 0.2240260 0.4480520), wk = 0.0020877 k( 172) = ( 0.2191558 0.2191558 0.4383117), wk = 0.0020877 k( 173) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0020877 k( 174) = ( 0.2094156 0.2094156 0.4188312), wk = 0.0020877 k( 175) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0020877 k( 176) = ( 0.1996753 0.1996753 0.3993507), wk = 0.0020877 k( 177) = ( 0.1948052 0.1948052 0.3896104), wk = 0.0020877 k( 178) = ( 0.1899351 0.1899351 0.3798701), wk = 0.0020877 k( 179) = ( 0.1850649 0.1850649 0.3701299), wk = 0.0020877 k( 180) = ( 0.1801948 0.1801948 0.3603896), wk = 0.0020877 k( 181) = ( 0.1753247 0.1753247 0.3506494), wk = 0.0020877 k( 182) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0020877 k( 183) = ( 0.1655844 0.1655844 0.3311688), wk = 0.0020877 k( 184) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0020877 k( 185) = ( 0.1558442 0.1558442 0.3116883), wk = 0.0020877 k( 186) = ( 0.1509740 0.1509740 0.3019481), wk = 0.0020877 k( 187) = ( 0.1461039 0.1461039 0.2922078), wk = 0.0020877 k( 188) = ( 0.1412338 0.1412338 0.2824675), wk = 0.0020877 k( 189) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0020877 k( 190) = ( 0.1314935 0.1314935 0.2629870), wk = 0.0020877 k( 191) = ( 0.1266234 0.1266234 0.2532468), wk = 0.0020877 k( 192) = ( 0.1217532 0.1217532 0.2435065), wk = 0.0020877 k( 193) = ( 0.1168831 0.1168831 0.2337662), wk = 0.0020877 k( 194) = ( 0.1120130 0.1120130 0.2240260), wk = 0.0020877 k( 195) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0020877 k( 196) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0020877 k( 197) = ( 0.0974026 0.0974026 0.1948052), wk = 0.0020877 k( 198) = ( 0.0925325 0.0925325 0.1850649), wk = 0.0020877 k( 199) = ( 0.0876623 0.0876623 0.1753247), wk = 0.0020877 k( 200) = ( 0.0827922 0.0827922 0.1655844), wk = 0.0020877 k( 201) = ( 0.0779221 0.0779221 0.1558442), wk = 0.0020877 k( 202) = ( 0.0730520 0.0730520 0.1461039), wk = 0.0020877 k( 203) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0020877 k( 204) = ( 0.0633117 0.0633117 0.1266234), wk = 0.0020877 k( 205) = ( 0.0584416 0.0584416 0.1168831), wk = 0.0020877 k( 206) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0020877 k( 207) = ( 0.0487013 0.0487013 0.0974026), wk = 0.0020877 k( 208) = ( 0.0438312 0.0438312 0.0876623), wk = 0.0020877 k( 209) = ( 0.0389610 0.0389610 0.0779221), wk = 0.0020877 k( 210) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0020877 k( 211) = ( 0.0292208 0.0292208 0.0584416), wk = 0.0020877 k( 212) = ( 0.0243507 0.0243507 0.0487013), wk = 0.0020877 k( 213) = ( 0.0194805 0.0194805 0.0389610), wk = 0.0020877 k( 214) = ( 0.0146104 0.0146104 0.0292208), wk = 0.0020877 k( 215) = ( 0.0097403 0.0097403 0.0194805), wk = 0.0020877 k( 216) = ( 0.0048701 0.0048701 0.0097403), wk = 0.0020877 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 219) = ( 0.0079365 0.0079365 0.0079365), wk = 0.0020877 k( 220) = ( 0.0158730 0.0158730 0.0158730), wk = 0.0020877 k( 221) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0020877 k( 222) = ( 0.0317460 0.0317460 0.0317460), wk = 0.0020877 k( 223) = ( 0.0396825 0.0396825 0.0396825), wk = 0.0020877 k( 224) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0020877 k( 225) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0020877 k( 226) = ( 0.0634921 0.0634921 0.0634921), wk = 0.0020877 k( 227) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0020877 k( 228) = ( 0.0793651 0.0793651 0.0793651), wk = 0.0020877 k( 229) = ( 0.0873016 0.0873016 0.0873016), wk = 0.0020877 k( 230) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0020877 k( 231) = ( 0.1031746 0.1031746 0.1031746), wk = 0.0020877 k( 232) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0020877 k( 233) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0020877 k( 234) = ( 0.1269841 0.1269841 0.1269841), wk = 0.0020877 k( 235) = ( 0.1349206 0.1349206 0.1349206), wk = 0.0020877 k( 236) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0020877 k( 237) = ( 0.1507937 0.1507937 0.1507937), wk = 0.0020877 k( 238) = ( 0.1587302 0.1587302 0.1587302), wk = 0.0020877 k( 239) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0020877 k( 240) = ( 0.1746032 0.1746032 0.1746032), wk = 0.0020877 k( 241) = ( 0.1825397 0.1825397 0.1825397), wk = 0.0020877 k( 242) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0020877 k( 243) = ( 0.1984127 0.1984127 0.1984127), wk = 0.0020877 k( 244) = ( 0.2063492 0.2063492 0.2063492), wk = 0.0020877 k( 245) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0020877 k( 246) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0020877 k( 247) = ( 0.2301587 0.2301587 0.2301587), wk = 0.0020877 k( 248) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0020877 k( 249) = ( 0.2460317 0.2460317 0.2460317), wk = 0.0020877 k( 250) = ( 0.2539683 0.2539683 0.2539683), wk = 0.0020877 k( 251) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0020877 k( 252) = ( 0.2698413 0.2698413 0.2698413), wk = 0.0020877 k( 253) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0020877 k( 254) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0020877 k( 255) = ( 0.2936508 0.2936508 0.2936508), wk = 0.0020877 k( 256) = ( 0.3015873 0.3015873 0.3015873), wk = 0.0020877 k( 257) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0020877 k( 258) = ( 0.3174603 0.3174603 0.3174603), wk = 0.0020877 k( 259) = ( 0.3253968 0.3253968 0.3253968), wk = 0.0020877 k( 260) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020877 k( 261) = ( 0.3412698 0.3412698 0.3412698), wk = 0.0020877 k( 262) = ( 0.3492063 0.3492063 0.3492063), wk = 0.0020877 k( 263) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0020877 k( 264) = ( 0.3650794 0.3650794 0.3650794), wk = 0.0020877 k( 265) = ( 0.3730159 0.3730159 0.3730159), wk = 0.0020877 k( 266) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0020877 k( 267) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0020877 k( 268) = ( 0.3968254 0.3968254 0.3968254), wk = 0.0020877 k( 269) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0020877 k( 270) = ( 0.4126984 0.4126984 0.4126984), wk = 0.0020877 k( 271) = ( 0.4206349 0.4206349 0.4206349), wk = 0.0020877 k( 272) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0020877 k( 273) = ( 0.4365079 0.4365079 0.4365079), wk = 0.0020877 k( 274) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0020877 k( 275) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0020877 k( 276) = ( 0.4603175 0.4603175 0.4603175), wk = 0.0020877 k( 277) = ( 0.4682540 0.4682540 0.4682540), wk = 0.0020877 k( 278) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0020877 k( 279) = ( 0.4841270 0.4841270 0.4841270), wk = 0.0020877 k( 280) = ( 0.4920635 0.4920635 0.4920635), wk = 0.0020877 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020877 k( 282) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020877 k( 283) = ( 0.5027778 0.4944444 0.5027778), wk = 0.0020877 k( 284) = ( 0.5055556 0.4888889 0.5055556), wk = 0.0020877 k( 285) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0020877 k( 286) = ( 0.5111111 0.4777778 0.5111111), wk = 0.0020877 k( 287) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0020877 k( 288) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0020877 k( 289) = ( 0.5194444 0.4611111 0.5194444), wk = 0.0020877 k( 290) = ( 0.5222222 0.4555556 0.5222222), wk = 0.0020877 k( 291) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0020877 k( 292) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0020877 k( 293) = ( 0.5305556 0.4388889 0.5305556), wk = 0.0020877 k( 294) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0020877 k( 295) = ( 0.5361111 0.4277778 0.5361111), wk = 0.0020877 k( 296) = ( 0.5388889 0.4222222 0.5388889), wk = 0.0020877 k( 297) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0020877 k( 298) = ( 0.5444444 0.4111111 0.5444444), wk = 0.0020877 k( 299) = ( 0.5472222 0.4055556 0.5472222), wk = 0.0020877 k( 300) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0020877 k( 301) = ( 0.5527778 0.3944444 0.5527778), wk = 0.0020877 k( 302) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0020877 k( 303) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0020877 k( 304) = ( 0.5611111 0.3777778 0.5611111), wk = 0.0020877 k( 305) = ( 0.5638889 0.3722222 0.5638889), wk = 0.0020877 k( 306) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0020877 k( 307) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0020877 k( 308) = ( 0.5722222 0.3555556 0.5722222), wk = 0.0020877 k( 309) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0020877 k( 310) = ( 0.5777778 0.3444444 0.5777778), wk = 0.0020877 k( 311) = ( 0.5805556 0.3388889 0.5805556), wk = 0.0020877 k( 312) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0020877 k( 313) = ( 0.5861111 0.3277778 0.5861111), wk = 0.0020877 k( 314) = ( 0.5888889 0.3222222 0.5888889), wk = 0.0020877 k( 315) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0020877 k( 316) = ( 0.5944444 0.3111111 0.5944444), wk = 0.0020877 k( 317) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0020877 k( 318) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0020877 k( 319) = ( 0.6027778 0.2944444 0.6027778), wk = 0.0020877 k( 320) = ( 0.6055556 0.2888889 0.6055556), wk = 0.0020877 k( 321) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0020877 k( 322) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0020877 k( 323) = ( 0.6138889 0.2722222 0.6138889), wk = 0.0020877 k( 324) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0020877 k( 325) = ( 0.6194444 0.2611111 0.6194444), wk = 0.0020877 k( 326) = ( 0.6222222 0.2555556 0.6222222), wk = 0.0020877 k( 327) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020877 k( 328) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020877 k( 329) = ( 0.6201923 0.2500000 0.6298077), wk = 0.0020877 k( 330) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0020877 k( 331) = ( 0.6105769 0.2500000 0.6394231), wk = 0.0020877 k( 332) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0020877 k( 333) = ( 0.6009615 0.2500000 0.6490385), wk = 0.0020877 k( 334) = ( 0.5961538 0.2500000 0.6538462), wk = 0.0020877 k( 335) = ( 0.5913462 0.2500000 0.6586539), wk = 0.0020877 k( 336) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0020877 k( 337) = ( 0.5817308 0.2500000 0.6682692), wk = 0.0020877 k( 338) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0020877 k( 339) = ( 0.5721154 0.2500000 0.6778846), wk = 0.0020877 k( 340) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0020877 k( 341) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0020877 k( 342) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0020877 k( 343) = ( 0.5528846 0.2500000 0.6971154), wk = 0.0020877 k( 344) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0020877 k( 345) = ( 0.5432692 0.2500000 0.7067308), wk = 0.0020877 k( 346) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0020877 k( 347) = ( 0.5336538 0.2500000 0.7163462), wk = 0.0020877 k( 348) = ( 0.5288462 0.2500000 0.7211539), wk = 0.0020877 k( 349) = ( 0.5240385 0.2500000 0.7259615), wk = 0.0020877 k( 350) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0020877 k( 351) = ( 0.5144231 0.2500000 0.7355769), wk = 0.0020877 k( 352) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0020877 k( 353) = ( 0.5048077 0.2500000 0.7451923), wk = 0.0020877 k( 354) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020877 k( 355) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020877 k( 356) = ( 0.5000000 0.2549020 0.7450980), wk = 0.0020877 k( 357) = ( 0.5000000 0.2598039 0.7401961), wk = 0.0020877 k( 358) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0020877 k( 359) = ( 0.5000000 0.2696078 0.7303922), wk = 0.0020877 k( 360) = ( 0.5000000 0.2745098 0.7254902), wk = 0.0020877 k( 361) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0020877 k( 362) = ( 0.5000000 0.2843137 0.7156863), wk = 0.0020877 k( 363) = ( 0.5000000 0.2892157 0.7107843), wk = 0.0020877 k( 364) = ( 0.5000000 0.2941177 0.7058824), wk = 0.0020877 k( 365) = ( 0.5000000 0.2990196 0.7009804), wk = 0.0020877 k( 366) = ( 0.5000000 0.3039216 0.6960784), wk = 0.0020877 k( 367) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0020877 k( 368) = ( 0.5000000 0.3137255 0.6862745), wk = 0.0020877 k( 369) = ( 0.5000000 0.3186274 0.6813726), wk = 0.0020877 k( 370) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0020877 k( 371) = ( 0.5000000 0.3284314 0.6715686), wk = 0.0020877 k( 372) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0020877 k( 373) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0020877 k( 374) = ( 0.5000000 0.3431373 0.6568628), wk = 0.0020877 k( 375) = ( 0.5000000 0.3480392 0.6519608), wk = 0.0020877 k( 376) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0020877 k( 377) = ( 0.5000000 0.3578431 0.6421569), wk = 0.0020877 k( 378) = ( 0.5000000 0.3627451 0.6372549), wk = 0.0020877 k( 379) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0020877 k( 380) = ( 0.5000000 0.3725490 0.6274510), wk = 0.0020877 k( 381) = ( 0.5000000 0.3774510 0.6225490), wk = 0.0020877 k( 382) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0020877 k( 383) = ( 0.5000000 0.3872549 0.6127451), wk = 0.0020877 k( 384) = ( 0.5000000 0.3921569 0.6078431), wk = 0.0020877 k( 385) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0020877 k( 386) = ( 0.5000000 0.4019608 0.5980392), wk = 0.0020877 k( 387) = ( 0.5000000 0.4068627 0.5931373), wk = 0.0020877 k( 388) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0020877 k( 389) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0020877 k( 390) = ( 0.5000000 0.4215686 0.5784314), wk = 0.0020877 k( 391) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0020877 k( 392) = ( 0.5000000 0.4313726 0.5686275), wk = 0.0020877 k( 393) = ( 0.5000000 0.4362745 0.5637255), wk = 0.0020877 k( 394) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0020877 k( 395) = ( 0.5000000 0.4460784 0.5539216), wk = 0.0020877 k( 396) = ( 0.5000000 0.4509804 0.5490196), wk = 0.0020877 k( 397) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0020877 k( 398) = ( 0.5000000 0.4607843 0.5392157), wk = 0.0020877 k( 399) = ( 0.5000000 0.4656863 0.5343137), wk = 0.0020877 k( 400) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0020877 k( 401) = ( 0.5000000 0.4754902 0.5245098), wk = 0.0020877 k( 402) = ( 0.5000000 0.4803922 0.5196078), wk = 0.0020877 k( 403) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0020877 k( 404) = ( 0.5000000 0.4901961 0.5098039), wk = 0.0020877 k( 405) = ( 0.5000000 0.4950980 0.5049020), wk = 0.0020877 k( 406) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020877 k( 407) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020877 k( 408) = ( 0.4972222 0.4972222 0.5055556), wk = 0.0020877 k( 409) = ( 0.4944444 0.4944444 0.5111111), wk = 0.0020877 k( 410) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0020877 k( 411) = ( 0.4888889 0.4888889 0.5222222), wk = 0.0020877 k( 412) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0020877 k( 413) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0020877 k( 414) = ( 0.4805556 0.4805556 0.5388889), wk = 0.0020877 k( 415) = ( 0.4777778 0.4777778 0.5444444), wk = 0.0020877 k( 416) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0020877 k( 417) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0020877 k( 418) = ( 0.4694444 0.4694444 0.5611111), wk = 0.0020877 k( 419) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0020877 k( 420) = ( 0.4638889 0.4638889 0.5722222), wk = 0.0020877 k( 421) = ( 0.4611111 0.4611111 0.5777778), wk = 0.0020877 k( 422) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0020877 k( 423) = ( 0.4555556 0.4555556 0.5888889), wk = 0.0020877 k( 424) = ( 0.4527778 0.4527778 0.5944444), wk = 0.0020877 k( 425) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0020877 k( 426) = ( 0.4472222 0.4472222 0.6055556), wk = 0.0020877 k( 427) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0020877 k( 428) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0020877 k( 429) = ( 0.4388889 0.4388889 0.6222222), wk = 0.0020877 k( 430) = ( 0.4361111 0.4361111 0.6277778), wk = 0.0020877 k( 431) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0020877 k( 432) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0020877 k( 433) = ( 0.4277778 0.4277778 0.6444444), wk = 0.0020877 k( 434) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0020877 k( 435) = ( 0.4222222 0.4222222 0.6555556), wk = 0.0020877 k( 436) = ( 0.4194444 0.4194444 0.6611111), wk = 0.0020877 k( 437) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0020877 k( 438) = ( 0.4138889 0.4138889 0.6722222), wk = 0.0020877 k( 439) = ( 0.4111111 0.4111111 0.6777778), wk = 0.0020877 k( 440) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0020877 k( 441) = ( 0.4055556 0.4055556 0.6888889), wk = 0.0020877 k( 442) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0020877 k( 443) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0020877 k( 444) = ( 0.3972222 0.3972222 0.7055556), wk = 0.0020877 k( 445) = ( 0.3944444 0.3944444 0.7111111), wk = 0.0020877 k( 446) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0020877 k( 447) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0020877 k( 448) = ( 0.3861111 0.3861111 0.7277778), wk = 0.0020877 k( 449) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0020877 k( 450) = ( 0.3805556 0.3805556 0.7388889), wk = 0.0020877 k( 451) = ( 0.3777778 0.3777778 0.7444444), wk = 0.0020877 k( 452) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020877 k( 453) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020877 k( 454) = ( 0.6201923 0.2403846 0.6201923), wk = 0.0020877 k( 455) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0020877 k( 456) = ( 0.6105769 0.2211538 0.6105769), wk = 0.0020877 k( 457) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0020877 k( 458) = ( 0.6009615 0.2019231 0.6009615), wk = 0.0020877 k( 459) = ( 0.5961538 0.1923077 0.5961539), wk = 0.0020877 k( 460) = ( 0.5913462 0.1826923 0.5913462), wk = 0.0020877 k( 461) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0020877 k( 462) = ( 0.5817308 0.1634615 0.5817308), wk = 0.0020877 k( 463) = ( 0.5769231 0.1538461 0.5769231), wk = 0.0020877 k( 464) = ( 0.5721154 0.1442308 0.5721154), wk = 0.0020877 k( 465) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0020877 k( 466) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0020877 k( 467) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0020877 k( 468) = ( 0.5528846 0.1057692 0.5528846), wk = 0.0020877 k( 469) = ( 0.5480769 0.0961538 0.5480769), wk = 0.0020877 k( 470) = ( 0.5432692 0.0865385 0.5432692), wk = 0.0020877 k( 471) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0020877 k( 472) = ( 0.5336538 0.0673077 0.5336539), wk = 0.0020877 k( 473) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0020877 k( 474) = ( 0.5240385 0.0480769 0.5240385), wk = 0.0020877 k( 475) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0020877 k( 476) = ( 0.5144231 0.0288461 0.5144231), wk = 0.0020877 k( 477) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0020877 k( 478) = ( 0.5048077 0.0096154 0.5048077), wk = 0.0020877 k( 479) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020877 Dense grid: 13851 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 5577 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 32, 16) NL pseudopotentials 0.01 Mb ( 16, 28) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 291) G-vector shells 0.00 Mb ( 127) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 32, 64) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.01 Mb ( 28, 2, 16) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SiC.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.1 secs Computing kpt #: 2 total cpu time spent up to now is 39.2 secs Computing kpt #: 3 total cpu time spent up to now is 39.3 secs Computing kpt #: 4 total cpu time spent up to now is 39.3 secs Computing kpt #: 5 total cpu time spent up to now is 39.4 secs Computing kpt #: 6 total cpu time spent up to now is 39.5 secs Computing kpt #: 7 total cpu time spent up to now is 39.6 secs Computing kpt #: 8 total cpu time spent up to now is 39.7 secs Computing kpt #: 9 total cpu time spent up to now is 39.8 secs Computing kpt #: 10 total cpu time spent up to now is 39.9 secs Computing kpt #: 11 total cpu time spent up to now is 40.0 secs Computing kpt #: 12 total cpu time spent up to now is 40.0 secs Computing kpt #: 13 total cpu time spent up to now is 40.1 secs Computing kpt #: 14 total cpu time spent up to now is 40.2 secs Computing kpt #: 15 total cpu time spent up to now is 40.3 secs Computing kpt #: 16 total cpu time spent up to now is 40.4 secs Computing kpt #: 17 total cpu time spent up to now is 40.6 secs Computing kpt #: 18 total cpu time spent up to now is 40.7 secs Computing kpt #: 19 total cpu time spent up to now is 40.8 secs Computing kpt #: 20 total cpu time spent up to now is 40.9 secs Computing kpt #: 21 total cpu time spent up to now is 41.0 secs Computing kpt #: 22 total cpu time spent up to now is 41.1 secs Computing kpt #: 23 total cpu time spent up to now is 41.2 secs Computing kpt #: 24 total cpu time spent up to now is 41.3 secs Computing kpt #: 25 total cpu time spent up to now is 41.4 secs Computing kpt #: 26 total cpu time spent up to now is 41.5 secs Computing kpt #: 27 total cpu time spent up to now is 41.6 secs Computing kpt #: 28 total cpu time spent up to now is 41.7 secs Computing kpt #: 29 total cpu time spent up to now is 41.8 secs Computing kpt #: 30 total cpu time spent up to now is 41.9 secs Computing kpt #: 31 total cpu time spent up to now is 42.0 secs Computing kpt #: 32 total cpu time spent up to now is 42.1 secs Computing kpt #: 33 total cpu time spent up to now is 42.2 secs Computing kpt #: 34 total cpu time spent up to now is 42.3 secs Computing kpt #: 35 total cpu time spent up to now is 42.5 secs Computing kpt #: 36 total cpu time spent up to now is 42.6 secs Computing kpt #: 37 total cpu time spent up to now is 42.7 secs Computing kpt #: 38 total cpu time spent up to now is 42.8 secs Computing kpt #: 39 total cpu time spent up to now is 42.9 secs Computing kpt #: 40 total cpu time spent up to now is 43.0 secs Computing kpt #: 41 total cpu time spent up to now is 43.1 secs Computing kpt #: 42 total cpu time spent up to now is 43.2 secs Computing kpt #: 43 total cpu time spent up to now is 43.2 secs Computing kpt #: 44 total cpu time spent up to now is 43.3 secs Computing kpt #: 45 total cpu time spent up to now is 43.4 secs Computing kpt #: 46 total cpu time spent up to now is 43.5 secs Computing kpt #: 47 total cpu time spent up to now is 43.6 secs Computing kpt #: 48 total cpu time spent up to now is 43.7 secs Computing kpt #: 49 total cpu time spent up to now is 43.8 secs Computing kpt #: 50 total cpu time spent up to now is 43.9 secs Computing kpt #: 51 total cpu time spent up to now is 44.0 secs Computing kpt #: 52 total cpu time spent up to now is 44.1 secs Computing kpt #: 53 total cpu time spent up to now is 44.2 secs Computing kpt #: 54 total cpu time spent up to now is 44.3 secs Computing kpt #: 55 total cpu time spent up to now is 44.4 secs Computing kpt #: 56 total cpu time spent up to now is 44.5 secs Computing kpt #: 57 total cpu time spent up to now is 44.6 secs Computing kpt #: 58 total cpu time spent up to now is 44.7 secs Computing kpt #: 59 total cpu time spent up to now is 44.8 secs Computing kpt #: 60 total cpu time spent up to now is 44.9 secs Computing kpt #: 61 total cpu time spent up to now is 45.0 secs Computing kpt #: 62 total cpu time spent up to now is 45.1 secs Computing kpt #: 63 total cpu time spent up to now is 45.3 secs Computing kpt #: 64 total cpu time spent up to now is 45.4 secs Computing kpt #: 65 total cpu time spent up to now is 45.5 secs Computing kpt #: 66 total cpu time spent up to now is 45.6 secs Computing kpt #: 67 total cpu time spent up to now is 45.7 secs Computing kpt #: 68 total cpu time spent up to now is 45.8 secs Computing kpt #: 69 total cpu time spent up to now is 46.0 secs Computing kpt #: 70 total cpu time spent up to now is 46.1 secs Computing kpt #: 71 total cpu time spent up to now is 46.2 secs Computing kpt #: 72 total cpu time spent up to now is 46.3 secs Computing kpt #: 73 total cpu time spent up to now is 46.5 secs Computing kpt #: 74 total cpu time spent up to now is 46.6 secs Computing kpt #: 75 total cpu time spent up to now is 46.7 secs Computing kpt #: 76 total cpu time spent up to now is 46.8 secs Computing kpt #: 77 total cpu time spent up to now is 46.9 secs Computing kpt #: 78 total cpu time spent up to now is 47.1 secs Computing kpt #: 79 total cpu time spent up to now is 47.2 secs Computing kpt #: 80 total cpu time spent up to now is 47.4 secs Computing kpt #: 81 total cpu time spent up to now is 47.5 secs Computing kpt #: 82 total cpu time spent up to now is 47.6 secs Computing kpt #: 83 total cpu time spent up to now is 47.8 secs Computing kpt #: 84 total cpu time spent up to now is 47.9 secs Computing kpt #: 85 total cpu time spent up to now is 48.0 secs Computing kpt #: 86 total cpu time spent up to now is 48.2 secs Computing kpt #: 87 total cpu time spent up to now is 48.4 secs Computing kpt #: 88 total cpu time spent up to now is 48.6 secs Computing kpt #: 89 total cpu time spent up to now is 48.8 secs Computing kpt #: 90 total cpu time spent up to now is 49.0 secs Computing kpt #: 91 total cpu time spent up to now is 49.1 secs Computing kpt #: 92 total cpu time spent up to now is 49.4 secs Computing kpt #: 93 total cpu time spent up to now is 49.7 secs Computing kpt #: 94 total cpu time spent up to now is 49.9 secs Computing kpt #: 95 total cpu time spent up to now is 50.1 secs Computing kpt #: 96 total cpu time spent up to now is 50.3 secs Computing kpt #: 97 total cpu time spent up to now is 50.5 secs Computing kpt #: 98 total cpu time spent up to now is 50.7 secs Computing kpt #: 99 total cpu time spent up to now is 50.9 secs Computing kpt #: 100 total cpu time spent up to now is 51.0 secs Computing kpt #: 101 total cpu time spent up to now is 51.2 secs Computing kpt #: 102 total cpu time spent up to now is 51.3 secs Computing kpt #: 103 total cpu time spent up to now is 51.5 secs Computing kpt #: 104 total cpu time spent up to now is 51.6 secs Computing kpt #: 105 total cpu time spent up to now is 51.9 secs Computing kpt #: 106 total cpu time spent up to now is 52.2 secs Computing kpt #: 107 total cpu time spent up to now is 52.3 secs Computing kpt #: 108 total cpu time spent up to now is 52.4 secs Computing kpt #: 109 total cpu time spent up to now is 52.6 secs Computing kpt #: 110 total cpu time spent up to now is 52.8 secs Computing kpt #: 111 total cpu time spent up to now is 53.0 secs Computing kpt #: 112 total cpu time spent up to now is 53.2 secs Computing kpt #: 113 total cpu time spent up to now is 53.5 secs Computing kpt #: 114 total cpu time spent up to now is 53.8 secs Computing kpt #: 115 total cpu time spent up to now is 54.0 secs Computing kpt #: 116 total cpu time spent up to now is 54.2 secs Computing kpt #: 117 total cpu time spent up to now is 54.3 secs Computing kpt #: 118 total cpu time spent up to now is 54.4 secs Computing kpt #: 119 total cpu time spent up to now is 54.6 secs Computing kpt #: 120 total cpu time spent up to now is 54.7 secs Computing kpt #: 121 total cpu time spent up to now is 54.8 secs Computing kpt #: 122 total cpu time spent up to now is 54.9 secs Computing kpt #: 123 total cpu time spent up to now is 55.1 secs Computing kpt #: 124 total cpu time spent up to now is 55.2 secs Computing kpt #: 125 total cpu time spent up to now is 55.3 secs Computing kpt #: 126 total cpu time spent up to now is 55.4 secs Computing kpt #: 127 total cpu time spent up to now is 55.6 secs Computing kpt #: 128 total cpu time spent up to now is 55.7 secs Computing kpt #: 129 total cpu time spent up to now is 55.8 secs Computing kpt #: 130 total cpu time spent up to now is 55.9 secs Computing kpt #: 131 total cpu time spent up to now is 56.1 secs Computing kpt #: 132 total cpu time spent up to now is 56.2 secs Computing kpt #: 133 total cpu time spent up to now is 56.4 secs Computing kpt #: 134 total cpu time spent up to now is 56.5 secs Computing kpt #: 135 total cpu time spent up to now is 56.6 secs Computing kpt #: 136 total cpu time spent up to now is 56.8 secs Computing kpt #: 137 total cpu time spent up to now is 56.9 secs Computing kpt #: 138 total cpu time spent up to now is 57.0 secs Computing kpt #: 139 total cpu time spent up to now is 57.2 secs Computing kpt #: 140 total cpu time spent up to now is 57.3 secs Computing kpt #: 141 total cpu time spent up to now is 58.0 secs Computing kpt #: 142 total cpu time spent up to now is 58.2 secs Computing kpt #: 143 total cpu time spent up to now is 58.4 secs Computing kpt #: 144 total cpu time spent up to now is 58.5 secs Computing kpt #: 145 total cpu time spent up to now is 58.7 secs Computing kpt #: 146 total cpu time spent up to now is 58.9 secs Computing kpt #: 147 total cpu time spent up to now is 59.1 secs Computing kpt #: 148 total cpu time spent up to now is 59.4 secs Computing kpt #: 149 total cpu time spent up to now is 59.8 secs Computing kpt #: 150 total cpu time spent up to now is 60.0 secs Computing kpt #: 151 total cpu time spent up to now is 60.2 secs Computing kpt #: 152 total cpu time spent up to now is 60.3 secs Computing kpt #: 153 total cpu time spent up to now is 60.4 secs Computing kpt #: 154 total cpu time spent up to now is 60.6 secs Computing kpt #: 155 total cpu time spent up to now is 60.7 secs Computing kpt #: 156 total cpu time spent up to now is 60.8 secs Computing kpt #: 157 total cpu time spent up to now is 60.9 secs Computing kpt #: 158 total cpu time spent up to now is 61.1 secs Computing kpt #: 159 total cpu time spent up to now is 61.5 secs Computing kpt #: 160 total cpu time spent up to now is 61.7 secs Computing kpt #: 161 total cpu time spent up to now is 61.9 secs Computing kpt #: 162 total cpu time spent up to now is 62.2 secs Computing kpt #: 163 total cpu time spent up to now is 62.4 secs Computing kpt #: 164 total cpu time spent up to now is 62.6 secs Computing kpt #: 165 total cpu time spent up to now is 62.9 secs Computing kpt #: 166 total cpu time spent up to now is 63.0 secs Computing kpt #: 167 total cpu time spent up to now is 63.2 secs Computing kpt #: 168 total cpu time spent up to now is 63.4 secs Computing kpt #: 169 total cpu time spent up to now is 63.5 secs Computing kpt #: 170 total cpu time spent up to now is 63.7 secs Computing kpt #: 171 total cpu time spent up to now is 63.9 secs Computing kpt #: 172 total cpu time spent up to now is 64.1 secs Computing kpt #: 173 total cpu time spent up to now is 64.4 secs Computing kpt #: 174 total cpu time spent up to now is 64.5 secs Computing kpt #: 175 total cpu time spent up to now is 64.6 secs Computing kpt #: 176 total cpu time spent up to now is 64.7 secs Computing kpt #: 177 total cpu time spent up to now is 64.8 secs Computing kpt #: 178 total cpu time spent up to now is 64.9 secs Computing kpt #: 179 total cpu time spent up to now is 65.0 secs Computing kpt #: 180 total cpu time spent up to now is 65.1 secs Computing kpt #: 181 total cpu time spent up to now is 65.2 secs Computing kpt #: 182 total cpu time spent up to now is 65.3 secs Computing kpt #: 183 total cpu time spent up to now is 65.4 secs Computing kpt #: 184 total cpu time spent up to now is 65.5 secs Computing kpt #: 185 total cpu time spent up to now is 65.6 secs Computing kpt #: 186 total cpu time spent up to now is 65.7 secs Computing kpt #: 187 total cpu time spent up to now is 65.8 secs Computing kpt #: 188 total cpu time spent up to now is 66.0 secs Computing kpt #: 189 total cpu time spent up to now is 66.1 secs Computing kpt #: 190 total cpu time spent up to now is 66.2 secs Computing kpt #: 191 total cpu time spent up to now is 66.3 secs Computing kpt #: 192 total cpu time spent up to now is 66.5 secs Computing kpt #: 193 total cpu time spent up to now is 66.6 secs Computing kpt #: 194 total cpu time spent up to now is 66.9 secs Computing kpt #: 195 total cpu time spent up to now is 67.1 secs Computing kpt #: 196 total cpu time spent up to now is 67.3 secs Computing kpt #: 197 total cpu time spent up to now is 67.4 secs Computing kpt #: 198 total cpu time spent up to now is 67.6 secs Computing kpt #: 199 total cpu time spent up to now is 67.7 secs Computing kpt #: 200 total cpu time spent up to now is 67.8 secs Computing kpt #: 201 total cpu time spent up to now is 68.2 secs Computing kpt #: 202 total cpu time spent up to now is 68.4 secs Computing kpt #: 203 total cpu time spent up to now is 68.6 secs Computing kpt #: 204 total cpu time spent up to now is 68.7 secs Computing kpt #: 205 total cpu time spent up to now is 68.8 secs Computing kpt #: 206 total cpu time spent up to now is 69.0 secs Computing kpt #: 207 total cpu time spent up to now is 69.1 secs Computing kpt #: 208 total cpu time spent up to now is 69.3 secs Computing kpt #: 209 total cpu time spent up to now is 69.4 secs Computing kpt #: 210 total cpu time spent up to now is 69.5 secs Computing kpt #: 211 total cpu time spent up to now is 69.6 secs Computing kpt #: 212 total cpu time spent up to now is 69.7 secs Computing kpt #: 213 total cpu time spent up to now is 69.8 secs Computing kpt #: 214 total cpu time spent up to now is 70.0 secs Computing kpt #: 215 total cpu time spent up to now is 70.2 secs Computing kpt #: 216 total cpu time spent up to now is 70.4 secs Computing kpt #: 217 total cpu time spent up to now is 70.6 secs Computing kpt #: 218 total cpu time spent up to now is 70.7 secs Computing kpt #: 219 total cpu time spent up to now is 70.8 secs Computing kpt #: 220 total cpu time spent up to now is 70.9 secs Computing kpt #: 221 total cpu time spent up to now is 71.0 secs Computing kpt #: 222 total cpu time spent up to now is 71.1 secs Computing kpt #: 223 total cpu time spent up to now is 71.1 secs Computing kpt #: 224 total cpu time spent up to now is 71.2 secs Computing kpt #: 225 total cpu time spent up to now is 71.3 secs Computing kpt #: 226 total cpu time spent up to now is 71.4 secs Computing kpt #: 227 total cpu time spent up to now is 71.5 secs Computing kpt #: 228 total cpu time spent up to now is 71.6 secs Computing kpt #: 229 total cpu time spent up to now is 71.7 secs Computing kpt #: 230 total cpu time spent up to now is 71.7 secs Computing kpt #: 231 total cpu time spent up to now is 71.8 secs Computing kpt #: 232 total cpu time spent up to now is 71.9 secs Computing kpt #: 233 total cpu time spent up to now is 72.0 secs Computing kpt #: 234 total cpu time spent up to now is 72.1 secs Computing kpt #: 235 total cpu time spent up to now is 72.2 secs Computing kpt #: 236 total cpu time spent up to now is 72.4 secs Computing kpt #: 237 total cpu time spent up to now is 72.5 secs Computing kpt #: 238 total cpu time spent up to now is 72.6 secs Computing kpt #: 239 total cpu time spent up to now is 72.8 secs Computing kpt #: 240 total cpu time spent up to now is 72.9 secs Computing kpt #: 241 total cpu time spent up to now is 73.1 secs Computing kpt #: 242 total cpu time spent up to now is 73.2 secs Computing kpt #: 243 total cpu time spent up to now is 73.3 secs Computing kpt #: 244 total cpu time spent up to now is 73.4 secs Computing kpt #: 245 total cpu time spent up to now is 73.5 secs Computing kpt #: 246 total cpu time spent up to now is 73.8 secs Computing kpt #: 247 total cpu time spent up to now is 73.9 secs Computing kpt #: 248 total cpu time spent up to now is 74.1 secs Computing kpt #: 249 total cpu time spent up to now is 74.2 secs Computing kpt #: 250 total cpu time spent up to now is 74.4 secs Computing kpt #: 251 total cpu time spent up to now is 74.5 secs Computing kpt #: 252 total cpu time spent up to now is 74.8 secs Computing kpt #: 253 total cpu time spent up to now is 74.9 secs Computing kpt #: 254 total cpu time spent up to now is 75.0 secs Computing kpt #: 255 total cpu time spent up to now is 75.2 secs Computing kpt #: 256 total cpu time spent up to now is 75.4 secs Computing kpt #: 257 total cpu time spent up to now is 75.6 secs Computing kpt #: 258 total cpu time spent up to now is 75.7 secs Computing kpt #: 259 total cpu time spent up to now is 75.9 secs Computing kpt #: 260 total cpu time spent up to now is 76.0 secs Computing kpt #: 261 total cpu time spent up to now is 76.1 secs Computing kpt #: 262 total cpu time spent up to now is 76.2 secs Computing kpt #: 263 total cpu time spent up to now is 76.3 secs Computing kpt #: 264 total cpu time spent up to now is 76.4 secs Computing kpt #: 265 total cpu time spent up to now is 76.5 secs Computing kpt #: 266 total cpu time spent up to now is 76.6 secs Computing kpt #: 267 total cpu time spent up to now is 76.7 secs Computing kpt #: 268 total cpu time spent up to now is 76.8 secs Computing kpt #: 269 total cpu time spent up to now is 76.9 secs Computing kpt #: 270 total cpu time spent up to now is 77.0 secs Computing kpt #: 271 total cpu time spent up to now is 77.1 secs Computing kpt #: 272 total cpu time spent up to now is 77.2 secs Computing kpt #: 273 total cpu time spent up to now is 77.3 secs Computing kpt #: 274 total cpu time spent up to now is 77.3 secs Computing kpt #: 275 total cpu time spent up to now is 77.4 secs Computing kpt #: 276 total cpu time spent up to now is 77.5 secs Computing kpt #: 277 total cpu time spent up to now is 77.6 secs Computing kpt #: 278 total cpu time spent up to now is 77.7 secs Computing kpt #: 279 total cpu time spent up to now is 77.8 secs Computing kpt #: 280 total cpu time spent up to now is 77.9 secs Computing kpt #: 281 total cpu time spent up to now is 78.0 secs Computing kpt #: 282 total cpu time spent up to now is 78.1 secs Computing kpt #: 283 total cpu time spent up to now is 78.2 secs Computing kpt #: 284 total cpu time spent up to now is 78.3 secs Computing kpt #: 285 total cpu time spent up to now is 78.4 secs Computing kpt #: 286 total cpu time spent up to now is 78.5 secs Computing kpt #: 287 total cpu time spent up to now is 78.7 secs Computing kpt #: 288 total cpu time spent up to now is 78.9 secs Computing kpt #: 289 total cpu time spent up to now is 79.2 secs Computing kpt #: 290 total cpu time spent up to now is 79.6 secs Computing kpt #: 291 total cpu time spent up to now is 79.8 secs Computing kpt #: 292 total cpu time spent up to now is 80.0 secs Computing kpt #: 293 total cpu time spent up to now is 80.1 secs Computing kpt #: 294 total cpu time spent up to now is 80.2 secs Computing kpt #: 295 total cpu time spent up to now is 80.3 secs Computing kpt #: 296 total cpu time spent up to now is 80.5 secs Computing kpt #: 297 total cpu time spent up to now is 80.6 secs Computing kpt #: 298 total cpu time spent up to now is 80.8 secs Computing kpt #: 299 total cpu time spent up to now is 80.9 secs Computing kpt #: 300 total cpu time spent up to now is 81.1 secs Computing kpt #: 301 total cpu time spent up to now is 81.3 secs Computing kpt #: 302 total cpu time spent up to now is 81.4 secs Computing kpt #: 303 total cpu time spent up to now is 81.7 secs Computing kpt #: 304 total cpu time spent up to now is 82.0 secs Computing kpt #: 305 total cpu time spent up to now is 82.1 secs Computing kpt #: 306 total cpu time spent up to now is 82.3 secs Computing kpt #: 307 total cpu time spent up to now is 82.5 secs Computing kpt #: 308 total cpu time spent up to now is 82.6 secs Computing kpt #: 309 total cpu time spent up to now is 82.7 secs Computing kpt #: 310 total cpu time spent up to now is 82.9 secs Computing kpt #: 311 total cpu time spent up to now is 83.0 secs Computing kpt #: 312 total cpu time spent up to now is 83.1 secs Computing kpt #: 313 total cpu time spent up to now is 83.2 secs Computing kpt #: 314 total cpu time spent up to now is 83.3 secs Computing kpt #: 315 total cpu time spent up to now is 83.4 secs Computing kpt #: 316 total cpu time spent up to now is 83.6 secs Computing kpt #: 317 total cpu time spent up to now is 83.7 secs Computing kpt #: 318 total cpu time spent up to now is 83.8 secs Computing kpt #: 319 total cpu time spent up to now is 83.9 secs Computing kpt #: 320 total cpu time spent up to now is 84.0 secs Computing kpt #: 321 total cpu time spent up to now is 84.2 secs Computing kpt #: 322 total cpu time spent up to now is 84.4 secs Computing kpt #: 323 total cpu time spent up to now is 84.5 secs Computing kpt #: 324 total cpu time spent up to now is 84.7 secs Computing kpt #: 325 total cpu time spent up to now is 84.9 secs Computing kpt #: 326 total cpu time spent up to now is 85.1 secs Computing kpt #: 327 total cpu time spent up to now is 85.3 secs Computing kpt #: 328 total cpu time spent up to now is 85.4 secs Computing kpt #: 329 total cpu time spent up to now is 85.5 secs Computing kpt #: 330 total cpu time spent up to now is 85.7 secs Computing kpt #: 331 total cpu time spent up to now is 85.8 secs Computing kpt #: 332 total cpu time spent up to now is 86.1 secs Computing kpt #: 333 total cpu time spent up to now is 86.3 secs Computing kpt #: 334 total cpu time spent up to now is 86.4 secs Computing kpt #: 335 total cpu time spent up to now is 86.5 secs Computing kpt #: 336 total cpu time spent up to now is 86.6 secs Computing kpt #: 337 total cpu time spent up to now is 86.8 secs Computing kpt #: 338 total cpu time spent up to now is 86.9 secs Computing kpt #: 339 total cpu time spent up to now is 87.0 secs Computing kpt #: 340 total cpu time spent up to now is 87.2 secs Computing kpt #: 341 total cpu time spent up to now is 87.3 secs Computing kpt #: 342 total cpu time spent up to now is 87.4 secs Computing kpt #: 343 total cpu time spent up to now is 87.5 secs Computing kpt #: 344 total cpu time spent up to now is 87.7 secs Computing kpt #: 345 total cpu time spent up to now is 87.8 secs Computing kpt #: 346 total cpu time spent up to now is 87.9 secs Computing kpt #: 347 total cpu time spent up to now is 88.0 secs Computing kpt #: 348 total cpu time spent up to now is 88.2 secs Computing kpt #: 349 total cpu time spent up to now is 88.3 secs Computing kpt #: 350 total cpu time spent up to now is 88.4 secs Computing kpt #: 351 total cpu time spent up to now is 88.5 secs Computing kpt #: 352 total cpu time spent up to now is 88.7 secs Computing kpt #: 353 total cpu time spent up to now is 88.8 secs Computing kpt #: 354 total cpu time spent up to now is 88.9 secs Computing kpt #: 355 total cpu time spent up to now is 89.0 secs Computing kpt #: 356 total cpu time spent up to now is 89.2 secs Computing kpt #: 357 total cpu time spent up to now is 89.3 secs Computing kpt #: 358 total cpu time spent up to now is 89.5 secs Computing kpt #: 359 total cpu time spent up to now is 89.7 secs Computing kpt #: 360 total cpu time spent up to now is 89.8 secs Computing kpt #: 361 total cpu time spent up to now is 90.0 secs Computing kpt #: 362 total cpu time spent up to now is 90.2 secs Computing kpt #: 363 total cpu time spent up to now is 90.5 secs Computing kpt #: 364 total cpu time spent up to now is 90.7 secs Computing kpt #: 365 total cpu time spent up to now is 90.8 secs Computing kpt #: 366 total cpu time spent up to now is 91.0 secs Computing kpt #: 367 total cpu time spent up to now is 91.2 secs Computing kpt #: 368 total cpu time spent up to now is 91.3 secs Computing kpt #: 369 total cpu time spent up to now is 91.5 secs Computing kpt #: 370 total cpu time spent up to now is 91.9 secs Computing kpt #: 371 total cpu time spent up to now is 92.3 secs Computing kpt #: 372 total cpu time spent up to now is 92.5 secs Computing kpt #: 373 total cpu time spent up to now is 92.9 secs Computing kpt #: 374 total cpu time spent up to now is 93.1 secs Computing kpt #: 375 total cpu time spent up to now is 93.9 secs Computing kpt #: 376 total cpu time spent up to now is 94.0 secs Computing kpt #: 377 total cpu time spent up to now is 94.2 secs Computing kpt #: 378 total cpu time spent up to now is 94.4 secs Computing kpt #: 379 total cpu time spent up to now is 94.6 secs Computing kpt #: 380 total cpu time spent up to now is 94.7 secs Computing kpt #: 381 total cpu time spent up to now is 94.8 secs Computing kpt #: 382 total cpu time spent up to now is 94.9 secs Computing kpt #: 383 total cpu time spent up to now is 95.1 secs Computing kpt #: 384 total cpu time spent up to now is 95.2 secs Computing kpt #: 385 total cpu time spent up to now is 95.3 secs Computing kpt #: 386 total cpu time spent up to now is 95.4 secs Computing kpt #: 387 total cpu time spent up to now is 95.5 secs Computing kpt #: 388 total cpu time spent up to now is 95.6 secs Computing kpt #: 389 total cpu time spent up to now is 95.7 secs Computing kpt #: 390 total cpu time spent up to now is 95.8 secs Computing kpt #: 391 total cpu time spent up to now is 95.9 secs Computing kpt #: 392 total cpu time spent up to now is 96.0 secs Computing kpt #: 393 total cpu time spent up to now is 96.1 secs Computing kpt #: 394 total cpu time spent up to now is 96.2 secs Computing kpt #: 395 total cpu time spent up to now is 96.3 secs Computing kpt #: 396 total cpu time spent up to now is 96.4 secs Computing kpt #: 397 total cpu time spent up to now is 96.5 secs Computing kpt #: 398 total cpu time spent up to now is 96.6 secs Computing kpt #: 399 total cpu time spent up to now is 96.7 secs Computing kpt #: 400 total cpu time spent up to now is 96.9 secs Computing kpt #: 401 total cpu time spent up to now is 97.1 secs Computing kpt #: 402 total cpu time spent up to now is 97.2 secs Computing kpt #: 403 total cpu time spent up to now is 97.4 secs Computing kpt #: 404 total cpu time spent up to now is 97.5 secs Computing kpt #: 405 total cpu time spent up to now is 97.6 secs Computing kpt #: 406 total cpu time spent up to now is 97.7 secs Computing kpt #: 407 total cpu time spent up to now is 97.8 secs Computing kpt #: 408 total cpu time spent up to now is 97.9 secs Computing kpt #: 409 total cpu time spent up to now is 98.0 secs Computing kpt #: 410 total cpu time spent up to now is 98.3 secs Computing kpt #: 411 total cpu time spent up to now is 98.4 secs Computing kpt #: 412 total cpu time spent up to now is 98.5 secs Computing kpt #: 413 total cpu time spent up to now is 98.6 secs Computing kpt #: 414 total cpu time spent up to now is 98.8 secs Computing kpt #: 415 total cpu time spent up to now is 98.9 secs Computing kpt #: 416 total cpu time spent up to now is 99.1 secs Computing kpt #: 417 total cpu time spent up to now is 99.2 secs Computing kpt #: 418 total cpu time spent up to now is 99.3 secs Computing kpt #: 419 total cpu time spent up to now is 99.4 secs Computing kpt #: 420 total cpu time spent up to now is 99.4 secs Computing kpt #: 421 total cpu time spent up to now is 99.5 secs Computing kpt #: 422 total cpu time spent up to now is 99.6 secs Computing kpt #: 423 total cpu time spent up to now is 99.7 secs Computing kpt #: 424 total cpu time spent up to now is 99.8 secs Computing kpt #: 425 total cpu time spent up to now is 99.9 secs Computing kpt #: 426 total cpu time spent up to now is 100.1 secs Computing kpt #: 427 total cpu time spent up to now is 100.2 secs Computing kpt #: 428 total cpu time spent up to now is 100.3 secs Computing kpt #: 429 total cpu time spent up to now is 100.4 secs Computing kpt #: 430 total cpu time spent up to now is 100.5 secs Computing kpt #: 431 total cpu time spent up to now is 100.6 secs Computing kpt #: 432 total cpu time spent up to now is 100.9 secs Computing kpt #: 433 total cpu time spent up to now is 101.1 secs Computing kpt #: 434 total cpu time spent up to now is 101.2 secs Computing kpt #: 435 total cpu time spent up to now is 101.4 secs Computing kpt #: 436 total cpu time spent up to now is 101.5 secs Computing kpt #: 437 total cpu time spent up to now is 101.7 secs Computing kpt #: 438 total cpu time spent up to now is 102.3 secs Computing kpt #: 439 total cpu time spent up to now is 102.6 secs Computing kpt #: 440 total cpu time spent up to now is 103.2 secs Computing kpt #: 441 total cpu time spent up to now is 103.6 secs Computing kpt #: 442 total cpu time spent up to now is 103.9 secs Computing kpt #: 443 total cpu time spent up to now is 104.1 secs Computing kpt #: 444 total cpu time spent up to now is 104.3 secs Computing kpt #: 445 total cpu time spent up to now is 104.6 secs Computing kpt #: 446 total cpu time spent up to now is 104.9 secs Computing kpt #: 447 total cpu time spent up to now is 105.1 secs Computing kpt #: 448 total cpu time spent up to now is 105.4 secs Computing kpt #: 449 total cpu time spent up to now is 105.7 secs Computing kpt #: 450 total cpu time spent up to now is 106.2 secs Computing kpt #: 451 total cpu time spent up to now is 106.5 secs Computing kpt #: 452 total cpu time spent up to now is 106.8 secs Computing kpt #: 453 total cpu time spent up to now is 107.1 secs Computing kpt #: 454 total cpu time spent up to now is 107.3 secs Computing kpt #: 455 total cpu time spent up to now is 107.5 secs Computing kpt #: 456 total cpu time spent up to now is 108.1 secs Computing kpt #: 457 total cpu time spent up to now is 108.3 secs Computing kpt #: 458 total cpu time spent up to now is 108.5 secs Computing kpt #: 459 total cpu time spent up to now is 108.6 secs Computing kpt #: 460 total cpu time spent up to now is 108.8 secs Computing kpt #: 461 total cpu time spent up to now is 108.9 secs Computing kpt #: 462 total cpu time spent up to now is 109.2 secs Computing kpt #: 463 total cpu time spent up to now is 109.5 secs Computing kpt #: 464 total cpu time spent up to now is 109.6 secs Computing kpt #: 465 total cpu time spent up to now is 109.8 secs Computing kpt #: 466 total cpu time spent up to now is 109.9 secs Computing kpt #: 467 total cpu time spent up to now is 110.1 secs Computing kpt #: 468 total cpu time spent up to now is 110.2 secs Computing kpt #: 469 total cpu time spent up to now is 110.4 secs Computing kpt #: 470 total cpu time spent up to now is 110.6 secs Computing kpt #: 471 total cpu time spent up to now is 110.8 secs Computing kpt #: 472 total cpu time spent up to now is 110.9 secs Computing kpt #: 473 total cpu time spent up to now is 111.1 secs Computing kpt #: 474 total cpu time spent up to now is 111.2 secs Computing kpt #: 475 total cpu time spent up to now is 111.4 secs Computing kpt #: 476 total cpu time spent up to now is 111.6 secs Computing kpt #: 477 total cpu time spent up to now is 111.7 secs Computing kpt #: 478 total cpu time spent up to now is 111.8 secs Computing kpt #: 479 total cpu time spent up to now is 111.9 secs ethr = 1.25E-10, avg # of iterations = 15.8 total cpu time spent up to now is 112.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 701 PWs) bands (ev): -5.9407 -5.9407 9.4447 9.4447 9.4589 9.4589 9.4589 9.4589 15.6779 15.6779 16.7229 16.7229 16.7855 16.7855 16.7855 16.7855 k = 0.0068-0.0040 0.0056 ( 701 PWs) bands (ev): -5.9395 -5.9395 9.4417 9.4417 9.4555 9.4555 9.4564 9.4564 15.6816 15.6816 16.7240 16.7240 16.7845 16.7845 16.7890 16.7890 k = 0.0137-0.0079 0.0112 ( 701 PWs) bands (ev): -5.9358 -5.9358 9.4321 9.4321 9.4455 9.4455 9.4489 9.4489 15.6926 15.6926 16.7250 16.7250 16.7842 16.7842 16.7998 16.7998 k = 0.0205-0.0119 0.0168 ( 709 PWs) bands (ev): -5.9297 -5.9297 9.4145 9.4145 9.4306 9.4306 9.4365 9.4365 15.7108 15.7108 16.7193 16.7193 16.7912 16.7912 16.8176 16.8176 k = 0.0274-0.0158 0.0224 ( 701 PWs) bands (ev): -5.9211 -5.9211 9.3884 9.3884 9.4120 9.4120 9.4192 9.4192 15.7358 15.7358 16.7027 16.7027 16.8097 16.8097 16.8425 16.8425 k = 0.0342-0.0198 0.0280 ( 689 PWs) bands (ev): -5.9100 -5.9100 9.3540 9.3540 9.3895 9.3895 9.3974 9.3974 15.7670 15.7670 16.6769 16.6769 16.8384 16.8384 16.8743 16.8743 k = 0.0411-0.0237 0.0336 ( 689 PWs) bands (ev): -5.8966 -5.8966 9.3119 9.3119 9.3626 9.3626 9.3708 9.3708 15.8036 15.8036 16.6441 16.6441 16.8754 16.8754 16.9127 16.9127 k = 0.0479-0.0277 0.0391 ( 689 PWs) bands (ev): -5.8807 -5.8807 9.2628 9.2628 9.3316 9.3316 9.3399 9.3399 15.8447 15.8447 16.6059 16.6059 16.9196 16.9196 16.9577 16.9577 k = 0.0548-0.0316 0.0447 ( 693 PWs) bands (ev): -5.8624 -5.8624 9.2069 9.2069 9.2964 9.2964 9.3048 9.3048 15.8886 15.8886 16.5638 16.5638 16.9706 16.9706 17.0090 17.0090 k = 0.0616-0.0356 0.0503 ( 693 PWs) bands (ev): -5.8416 -5.8416 9.1448 9.1448 9.2574 9.2574 9.2657 9.2657 15.9332 15.9332 16.5199 16.5199 17.0278 17.0278 17.0663 17.0663 k = 0.0685-0.0395 0.0559 ( 693 PWs) bands (ev): -5.8184 -5.8184 9.0769 9.0769 9.2147 9.2147 9.2229 9.2229 15.9747 15.9747 16.4777 16.4777 17.0911 17.0911 17.1295 17.1295 k = 0.0753-0.0435 0.0615 ( 693 PWs) bands (ev): -5.7927 -5.7927 9.0035 9.0035 9.1685 9.1685 9.1767 9.1767 16.0068 16.0068 16.4429 16.4429 17.1600 17.1600 17.1982 17.1982 k = 0.0822-0.0475 0.0671 ( 693 PWs) bands (ev): -5.7646 -5.7646 8.9250 8.9250 9.1192 9.1192 9.1273 9.1273 16.0205 16.0205 16.4239 16.4239 17.2342 17.2342 17.2722 17.2722 k = 0.0890-0.0514 0.0727 ( 693 PWs) bands (ev): -5.7342 -5.7342 8.8418 8.8418 9.0669 9.0669 9.0749 9.0749 16.0077 16.0077 16.4285 16.4285 17.3135 17.3135 17.3512 17.3512 k = 0.0959-0.0554 0.0783 ( 693 PWs) bands (ev): -5.7013 -5.7013 8.7542 8.7542 9.0119 9.0119 9.0198 9.0198 15.9680 15.9680 16.4560 16.4560 17.3975 17.3975 17.4350 17.4350 k = 0.1027-0.0593 0.0839 ( 693 PWs) bands (ev): -5.6660 -5.6660 8.6625 8.6625 8.9544 8.9544 8.9623 8.9623 15.9081 15.9081 16.4989 16.4989 17.4861 17.4861 17.5231 17.5231 k = 0.1096-0.0633 0.0895 ( 693 PWs) bands (ev): -5.6283 -5.6283 8.5672 8.5672 8.8948 8.8948 8.9026 8.9026 15.8346 15.8346 16.5498 16.5498 17.5788 17.5788 17.6154 17.6154 k = 0.1164-0.0672 0.0951 ( 689 PWs) bands (ev): -5.5882 -5.5882 8.4684 8.4684 8.8332 8.8332 8.8410 8.8410 15.7518 15.7518 16.6031 16.6031 17.6754 17.6754 17.7116 17.7116 k = 0.1233-0.0712 0.1007 ( 689 PWs) bands (ev): -5.5457 -5.5457 8.3664 8.3664 8.7699 8.7699 8.7776 8.7776 15.6622 15.6622 16.6550 16.6550 17.7756 17.7756 17.8115 17.8115 k = 0.1301-0.0751 0.1063 ( 689 PWs) bands (ev): -5.5008 -5.5008 8.2615 8.2615 8.7051 8.7051 8.7128 8.7128 15.5672 15.5672 16.7025 16.7025 17.8793 17.8793 17.9147 17.9147 k = 0.1370-0.0791 0.1118 ( 681 PWs) bands (ev): -5.4536 -5.4536 8.1540 8.1540 8.6390 8.6390 8.6468 8.6468 15.4680 15.4680 16.7432 16.7432 17.9861 17.9861 18.0210 18.0210 k = 0.1438-0.0830 0.1174 ( 685 PWs) bands (ev): -5.4040 -5.4040 8.0439 8.0439 8.5719 8.5719 8.5797 8.5797 15.3650 15.3650 16.7747 16.7747 18.0957 18.0957 18.1302 18.1302 k = 0.1507-0.0870 0.1230 ( 681 PWs) bands (ev): -5.3521 -5.3521 7.9315 7.9315 8.5039 8.5039 8.5117 8.5117 15.2588 15.2588 16.7950 16.7950 18.2080 18.2080 18.2421 18.2421 k = 0.1575-0.0910 0.1286 ( 681 PWs) bands (ev): -5.2978 -5.2978 7.8169 7.8169 8.4352 8.4352 8.4431 8.4431 15.1498 15.1498 16.8025 16.8025 18.3227 18.3227 18.3564 18.3564 k = 0.1644-0.0949 0.1342 ( 681 PWs) bands (ev): -5.2412 -5.2412 7.7003 7.7003 8.3660 8.3660 8.3740 8.3740 15.0382 15.0382 16.7958 16.7958 18.4397 18.4397 18.4729 18.4729 k = 0.1712-0.0989 0.1398 ( 681 PWs) bands (ev): -5.1823 -5.1823 7.5819 7.5819 8.2965 8.2965 8.3046 8.3046 14.9243 14.9243 16.7742 16.7742 18.5587 18.5587 18.5914 18.5914 k = 0.1781-0.1028 0.1454 ( 681 PWs) bands (ev): -5.1211 -5.1211 7.4616 7.4616 8.2268 8.2268 8.2350 8.2350 14.8083 14.8083 16.7379 16.7379 18.6795 18.6795 18.7118 18.7118 k = 0.1849-0.1068 0.1510 ( 681 PWs) bands (ev): -5.0576 -5.0576 7.3397 7.3397 8.1570 8.1570 8.1654 8.1654 14.6904 14.6904 16.6873 16.6873 18.8020 18.8020 18.8338 18.8338 k = 0.1918-0.1107 0.1566 ( 681 PWs) bands (ev): -4.9919 -4.9919 7.2162 7.2162 8.0874 8.0874 8.0959 8.0959 14.5708 14.5708 16.6238 16.6238 18.9259 18.9259 18.9573 18.9573 k = 0.1986-0.1147 0.1622 ( 681 PWs) bands (ev): -4.9239 -4.9239 7.0912 7.0912 8.0180 8.0180 8.0266 8.0266 14.4498 14.4498 16.5489 16.5489 19.0512 19.0512 19.0822 19.0822 k = 0.2055-0.1186 0.1678 ( 681 PWs) bands (ev): -4.8537 -4.8537 6.9648 6.9648 7.9490 7.9490 7.9578 7.9578 14.3274 14.3274 16.4644 16.4644 19.1776 19.1776 19.2081 19.2081 k = 0.2123-0.1226 0.1734 ( 685 PWs) bands (ev): -4.7813 -4.7813 6.8369 6.8369 7.8805 7.8805 7.8894 7.8894 14.2039 14.2039 16.3722 16.3722 19.3050 19.3050 19.3351 19.3351 k = 0.2192-0.1265 0.1790 ( 685 PWs) bands (ev): -4.7066 -4.7066 6.7078 6.7078 7.8126 7.8126 7.8216 7.8216 14.0796 14.0796 16.2743 16.2743 19.4333 19.4333 19.4630 19.4630 k = 0.2260-0.1305 0.1846 ( 685 PWs) bands (ev): -4.6298 -4.6298 6.5773 6.5773 7.7454 7.7454 7.7545 7.7545 13.9546 13.9546 16.1723 16.1723 19.5623 19.5623 19.5916 19.5916 k = 0.2329-0.1345 0.1901 ( 681 PWs) bands (ev): -4.5509 -4.5509 6.4457 6.4457 7.6789 7.6789 7.6882 7.6882 13.8291 13.8291 16.0675 16.0675 19.6919 19.6919 19.7208 19.7208 k = 0.2397-0.1384 0.1957 ( 681 PWs) bands (ev): -4.4698 -4.4698 6.3128 6.3128 7.6133 7.6133 7.6228 7.6228 13.7034 13.7034 15.9612 15.9612 19.8220 19.8220 19.8504 19.8504 k = 0.2466-0.1424 0.2013 ( 681 PWs) bands (ev): -4.3866 -4.3866 6.1789 6.1789 7.5487 7.5487 7.5583 7.5583 13.5778 13.5778 15.8545 15.8545 19.9524 19.9524 19.9804 19.9804 k = 0.2534-0.1463 0.2069 ( 681 PWs) bands (ev): -4.3014 -4.3014 6.0437 6.0437 7.4852 7.4852 7.4949 7.4949 13.4524 13.4524 15.7481 15.7481 20.0830 20.0830 20.1106 20.1106 k = 0.2603-0.1503 0.2125 ( 681 PWs) bands (ev): -4.2142 -4.2142 5.9076 5.9076 7.4227 7.4227 7.4326 7.4326 13.3277 13.3277 15.6428 15.6428 20.2137 20.2137 20.2409 20.2409 k = 0.2671-0.1542 0.2181 ( 681 PWs) bands (ev): -4.1249 -4.1249 5.7703 5.7703 7.3614 7.3614 7.3714 7.3714 13.2037 13.2037 15.5391 15.5391 20.3444 20.3444 20.3712 20.3712 k = 0.2740-0.1582 0.2237 ( 689 PWs) bands (ev): -4.0337 -4.0337 5.6321 5.6321 7.3014 7.3014 7.3115 7.3115 13.0809 13.0809 15.4372 15.4372 20.4748 20.4748 20.5012 20.5012 k = 0.2808-0.1621 0.2293 ( 697 PWs) bands (ev): -3.9406 -3.9406 5.4928 5.4928 7.2426 7.2426 7.2529 7.2529 12.9594 12.9594 15.3380 15.3380 20.6050 20.6050 20.6309 20.6309 k = 0.2877-0.1661 0.2349 ( 697 PWs) bands (ev): -3.8455 -3.8455 5.3528 5.3528 7.1852 7.1852 7.1956 7.1956 12.8396 12.8396 15.2414 15.2414 20.7348 20.7348 20.7604 20.7604 k = 0.2945-0.1700 0.2405 ( 697 PWs) bands (ev): -3.7487 -3.7487 5.2119 5.2119 7.1292 7.1292 7.1398 7.1398 12.7217 12.7217 15.1476 15.1476 20.8642 20.8642 20.8893 20.8893 k = 0.3014-0.1740 0.2461 ( 697 PWs) bands (ev): -3.6500 -3.6500 5.0702 5.0702 7.0746 7.0746 7.0853 7.0853 12.6059 12.6059 15.0568 15.0568 20.9928 20.9928 21.0175 21.0175 k = 0.3082-0.1780 0.2517 ( 693 PWs) bands (ev): -3.5496 -3.5496 4.9278 4.9278 7.0216 7.0216 7.0324 7.0324 12.4925 12.4925 14.9691 14.9691 21.1208 21.1208 21.1451 21.1451 k = 0.3151-0.1819 0.2573 ( 693 PWs) bands (ev): -3.4476 -3.4476 4.7848 4.7848 6.9701 6.9701 6.9811 6.9811 12.3817 12.3817 14.8845 14.8845 21.2477 21.2477 21.2716 21.2716 k = 0.3219-0.1859 0.2628 ( 693 PWs) bands (ev): -3.3439 -3.3439 4.6412 4.6412 6.9202 6.9202 6.9313 6.9313 12.2736 12.2736 14.8031 14.8031 21.3735 21.3735 21.3971 21.3971 k = 0.3288-0.1898 0.2684 ( 693 PWs) bands (ev): -3.2388 -3.2388 4.4972 4.4972 6.8719 6.8719 6.8831 6.8831 12.1686 12.1686 14.7250 14.7250 21.4981 21.4981 21.5213 21.5213 k = 0.3356-0.1938 0.2740 ( 693 PWs) bands (ev): -3.1322 -3.1322 4.3529 4.3529 6.8253 6.8253 6.8366 6.8366 12.0668 12.0668 14.6500 14.6500 21.6213 21.6213 21.6440 21.6440 k = 0.3425-0.1977 0.2796 ( 693 PWs) bands (ev): -3.0242 -3.0242 4.2083 4.2083 6.7803 6.7803 6.7917 6.7917 11.9683 11.9683 14.5783 14.5783 21.7429 21.7429 21.7652 21.7652 k = 0.3493-0.2017 0.2852 ( 692 PWs) bands (ev): -2.9151 -2.9151 4.0637 4.0637 6.7371 6.7371 6.7486 6.7486 11.8734 11.8734 14.5099 14.5099 21.8626 21.8626 21.8845 21.8845 k = 0.3562-0.2056 0.2908 ( 692 PWs) bands (ev): -2.8048 -2.8048 3.9191 3.9191 6.6956 6.6956 6.7072 6.7072 11.7820 11.7820 14.4446 14.4446 21.9804 21.9804 22.0019 22.0019 k = 0.3630-0.2096 0.2964 ( 692 PWs) bands (ev): -2.6935 -2.6935 3.7748 3.7748 6.6559 6.6559 6.6676 6.6676 11.6944 11.6944 14.3825 14.3825 22.0959 22.0959 22.1170 22.1170 k = 0.3699-0.2135 0.3020 ( 692 PWs) bands (ev): -2.5814 -2.5814 3.6309 3.6309 6.6180 6.6180 6.6297 6.6297 11.6106 11.6106 14.3235 14.3235 22.2089 22.2089 22.2296 22.2296 k = 0.3767-0.2175 0.3076 ( 692 PWs) bands (ev): -2.4687 -2.4687 3.4877 3.4877 6.5819 6.5819 6.5937 6.5937 11.5308 11.5308 14.2678 14.2678 22.3192 22.3192 22.3394 22.3394 k = 0.3836-0.2214 0.3132 ( 684 PWs) bands (ev): -2.3555 -2.3555 3.3454 3.3454 6.5477 6.5477 6.5595 6.5595 11.4550 11.4550 14.2151 14.2151 22.4265 22.4265 22.4463 22.4463 k = 0.3904-0.2254 0.3188 ( 684 PWs) bands (ev): -2.2422 -2.2422 3.2043 3.2043 6.5153 6.5153 6.5272 6.5272 11.3833 11.3833 14.1656 14.1656 22.5304 22.5304 22.5498 22.5498 k = 0.3973-0.2294 0.3244 ( 684 PWs) bands (ev): -2.1289 -2.1289 3.0647 3.0647 6.4848 6.4848 6.4968 6.4968 11.3157 11.3157 14.1192 14.1192 22.6307 22.6307 22.6497 22.6497 k = 0.4041-0.2333 0.3300 ( 692 PWs) bands (ev): -2.0161 -2.0161 2.9269 2.9269 6.4561 6.4561 6.4682 6.4682 11.2523 11.2523 14.0758 14.0758 22.7269 22.7269 22.7455 22.7455 k = 0.4110-0.2373 0.3355 ( 692 PWs) bands (ev): -1.9041 -1.9041 2.7915 2.7915 6.4294 6.4294 6.4415 6.4415 11.1932 11.1932 14.0356 14.0356 22.8189 22.8189 22.8371 22.8371 k = 0.4178-0.2412 0.3411 ( 692 PWs) bands (ev): -1.7934 -1.7934 2.6590 2.6590 6.4046 6.4046 6.4168 6.4168 11.1383 11.1383 13.9983 13.9983 22.9063 22.9063 22.9240 22.9240 k = 0.4247-0.2452 0.3467 ( 692 PWs) bands (ev): -1.6846 -1.6846 2.5299 2.5299 6.3818 6.3818 6.3940 6.3940 11.0878 11.0878 13.9641 13.9641 22.9886 22.9886 23.0060 23.0060 k = 0.4315-0.2491 0.3523 ( 684 PWs) bands (ev): -1.5783 -1.5783 2.4051 2.4051 6.3609 6.3609 6.3732 6.3732 11.0417 11.0417 13.9329 13.9329 23.0657 23.0657 23.0827 23.0827 k = 0.4384-0.2531 0.3579 ( 684 PWs) bands (ev): -1.4754 -1.4754 2.2852 2.2852 6.3419 6.3419 6.3543 6.3543 10.9998 10.9998 13.9048 13.9048 23.1368 23.1368 23.1534 23.1534 k = 0.4452-0.2570 0.3635 ( 684 PWs) bands (ev): -1.3769 -1.3769 2.1715 2.1715 6.3250 6.3250 6.3373 6.3373 10.9624 10.9624 13.8796 13.8796 23.2016 23.2016 23.2180 23.2180 k = 0.4521-0.2610 0.3691 ( 692 PWs) bands (ev): -1.2840 -1.2840 2.0649 2.0649 6.3100 6.3100 6.3224 6.3224 10.9293 10.9293 13.8572 13.8572 23.2598 23.2598 23.2759 23.2759 k = 0.4589-0.2649 0.3747 ( 692 PWs) bands (ev): -1.1980 -1.1980 1.9672 1.9672 6.2970 6.2970 6.3094 6.3094 10.9006 10.9006 13.8379 13.8379 23.3112 23.3112 23.3269 23.3269 k = 0.4658-0.2689 0.3803 ( 692 PWs) bands (ev): -1.1206 -1.1206 1.8797 1.8797 6.2859 6.2859 6.2984 6.2984 10.8764 10.8764 13.8217 13.8217 23.3553 23.3553 23.3708 23.3708 k = 0.4726-0.2729 0.3859 ( 692 PWs) bands (ev): -1.0535 -1.0535 1.8044 1.8044 6.2769 6.2769 6.2894 6.2894 10.8565 10.8565 13.8084 13.8084 23.3918 23.3918 23.4071 23.4071 k = 0.4795-0.2768 0.3915 ( 692 PWs) bands (ev): -0.9987 -0.9987 1.7431 1.7431 6.2699 6.2699 6.2824 6.2824 10.8410 10.8410 13.7980 13.7980 23.4205 23.4205 23.4356 23.4356 k = 0.4863-0.2808 0.3971 ( 692 PWs) bands (ev): -0.9579 -0.9579 1.6977 1.6977 6.2649 6.2649 6.2774 6.2774 10.8300 10.8300 13.7907 13.7907 23.4412 23.4412 23.4561 23.4561 k = 0.4932-0.2847 0.4027 ( 692 PWs) bands (ev): -0.9327 -0.9327 1.6697 1.6697 6.2619 6.2619 6.2743 6.2743 10.8234 10.8234 13.7862 13.7862 23.4536 23.4536 23.4685 23.4685 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -0.9241 -0.9241 1.6603 1.6603 6.2608 6.2608 6.2733 6.2733 10.8212 10.8212 13.7847 13.7847 23.4578 23.4578 23.4727 23.4727 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -0.9241 -0.9241 1.6603 1.6603 6.2608 6.2608 6.2733 6.2733 10.8212 10.8212 13.7847 13.7847 23.4578 23.4578 23.4727 23.4727 k = 0.5000-0.2809 0.4138 ( 692 PWs) bands (ev): -0.9239 -0.9236 1.6612 1.6612 6.2568 6.2578 6.2697 6.2698 10.8272 10.8278 13.7904 13.7904 23.4525 23.4539 23.4698 23.4702 k = 0.5000-0.2731 0.4193 ( 692 PWs) bands (ev): -0.9229 -0.9224 1.6641 1.6641 6.2455 6.2475 6.2591 6.2591 10.8459 10.8471 13.8073 13.8074 23.4319 23.4347 23.4678 23.4685 k = 0.5000-0.2653 0.4248 ( 692 PWs) bands (ev): -0.9212 -0.9203 1.6689 1.6690 6.2270 6.2302 6.2417 6.2418 10.8770 10.8788 13.8354 13.8356 23.3946 23.3985 23.4685 23.4692 k = 0.5000-0.2575 0.4303 ( 692 PWs) bands (ev): -0.9187 -0.9176 1.6755 1.6757 6.2015 6.2060 6.2178 6.2181 10.9202 10.9224 13.8745 13.8748 23.3423 23.3473 23.4704 23.4712 k = 0.5000-0.2497 0.4358 ( 692 PWs) bands (ev): -0.9155 -0.9141 1.6841 1.6843 6.1693 6.1749 6.1880 6.1885 10.9749 10.9777 13.9244 13.9248 23.2758 23.2818 23.4730 23.4738 k = 0.5000-0.2419 0.4413 ( 692 PWs) bands (ev): -0.9115 -0.9099 1.6945 1.6947 6.1311 6.1377 6.1527 6.1532 11.0406 11.0438 13.9848 13.9852 23.1957 23.2027 23.4763 23.4772 k = 0.5000-0.2341 0.4469 ( 696 PWs) bands (ev): -0.9069 -0.9050 1.7068 1.7071 6.0874 6.0949 6.1120 6.1126 11.1167 11.1202 14.0553 14.0558 23.1029 23.1108 23.4801 23.4811 k = 0.5000-0.2263 0.4524 ( 696 PWs) bands (ev): -0.9017 -0.8994 1.7209 1.7212 6.0390 6.0473 6.0664 6.0669 11.2024 11.2063 14.1357 14.1363 22.9980 23.0069 23.4845 23.4855 k = 0.5000-0.2185 0.4579 ( 694 PWs) bands (ev): -0.8958 -0.8932 1.7369 1.7372 5.9864 5.9955 6.0161 6.0166 11.2971 11.3013 14.2255 14.2261 22.8819 22.8916 23.4892 23.4902 k = 0.5000-0.2107 0.4634 ( 694 PWs) bands (ev): -0.8893 -0.8865 1.7545 1.7549 5.9305 5.9403 5.9617 5.9621 11.4000 11.4045 14.3242 14.3249 22.7555 22.7660 23.4942 23.4951 k = 0.5000-0.2029 0.4689 ( 694 PWs) bands (ev): -0.8822 -0.8791 1.7739 1.7743 5.8718 5.8824 5.9034 5.9039 11.5105 11.5151 14.4315 14.4322 22.6197 22.6309 23.4991 23.4996 k = 0.5000-0.1951 0.4745 ( 692 PWs) bands (ev): -0.8746 -0.8713 1.7949 1.7954 5.8111 5.8223 5.8418 5.8423 11.6278 11.6327 14.5470 14.5478 22.4753 22.4873 23.5012 23.5022 k = 0.5000-0.1872 0.4800 ( 694 PWs) bands (ev): -0.8666 -0.8630 1.8176 1.8180 5.7487 5.7606 5.7773 5.7779 11.7513 11.7563 14.6701 14.6709 22.3233 22.3359 23.4777 23.4835 k = 0.5000-0.1794 0.4855 ( 698 PWs) bands (ev): -0.8582 -0.8543 1.8418 1.8423 5.6851 5.6978 5.7104 5.7112 11.8805 11.8855 14.8006 14.8015 22.1644 22.1776 23.3821 23.3868 k = 0.5000-0.1716 0.4910 ( 698 PWs) bands (ev): -0.8494 -0.8453 1.8674 1.8680 5.6209 5.6343 5.6418 5.6428 12.0146 12.0197 14.9379 14.9389 21.9997 22.0135 23.2602 23.2641 k = 0.5000-0.1638 0.4965 ( 694 PWs) bands (ev): -0.8403 -0.8359 1.8945 1.8951 5.5558 5.5682 5.5735 5.5741 12.1533 12.1584 15.0818 15.0828 21.8299 21.8442 23.1270 23.1304 k = 0.5000-0.1560 0.5020 ( 694 PWs) bands (ev): -0.8309 -0.8262 1.9228 1.9234 5.4892 5.4974 5.5050 5.5103 12.2957 12.3008 15.2318 15.2329 21.6560 21.6707 22.9844 22.9877 k = 0.5000-0.1482 0.5076 ( 694 PWs) bands (ev): -0.8213 -0.8164 1.9523 1.9530 5.4198 5.4249 5.4394 5.4482 12.4414 12.4464 15.3876 15.3887 21.4786 21.4938 22.8334 22.8365 k = 0.5000-0.1404 0.5131 ( 698 PWs) bands (ev): -0.8117 -0.8066 1.9829 1.9836 5.3482 5.3519 5.3768 5.3875 12.5896 12.5945 15.5487 15.5499 21.2987 21.3144 22.6744 22.6774 k = 0.5000-0.1326 0.5186 ( 690 PWs) bands (ev): -0.8020 -0.7966 2.0144 2.0151 5.2759 5.2789 5.3165 5.3283 12.7401 12.7449 15.7151 15.7163 21.1172 21.1333 22.5082 22.5111 k = 0.5000-0.1248 0.5241 ( 690 PWs) bands (ev): -0.7923 -0.7866 2.0466 2.0474 5.2037 5.2063 5.2585 5.2710 12.8920 12.8966 15.8861 15.8874 20.9347 20.9512 22.3353 22.3380 k = 0.5000-0.1170 0.5296 ( 690 PWs) bands (ev): -0.7827 -0.7768 2.0794 2.0803 5.1321 5.1346 5.2028 5.2159 13.0448 13.0492 16.0616 16.0629 20.7522 20.7692 22.1562 22.1588 k = 0.5000-0.1092 0.5351 ( 690 PWs) bands (ev): -0.7732 -0.7672 2.1125 2.1135 5.0617 5.0641 5.1496 5.1631 13.1976 13.2018 16.2413 16.2426 20.5706 20.5880 21.9715 21.9741 k = 0.5000-0.1014 0.5407 ( 690 PWs) bands (ev): -0.7641 -0.7578 2.1459 2.1469 4.9930 4.9953 5.0990 5.1130 13.3498 13.3537 16.4248 16.4262 20.3909 20.4087 21.7818 21.7843 k = 0.5000-0.0936 0.5462 ( 690 PWs) bands (ev): -0.7552 -0.7487 2.1790 2.1801 4.9263 4.9286 5.0514 5.0657 13.5005 13.5041 16.6119 16.6134 20.2141 20.2324 21.5877 21.5901 k = 0.5000-0.0858 0.5517 ( 694 PWs) bands (ev): -0.7467 -0.7400 2.2118 2.2129 4.8622 4.8645 5.0068 5.0214 13.6486 13.6519 16.8024 16.8039 20.0414 20.0601 21.3897 21.3920 k = 0.5000-0.0780 0.5572 ( 696 PWs) bands (ev): -0.7387 -0.7318 2.2438 2.2450 4.8011 4.8034 4.9655 4.9804 13.7931 13.7960 16.9959 16.9975 19.8740 19.8932 21.1884 21.1906 k = 0.5000-0.0702 0.5627 ( 696 PWs) bands (ev): -0.7312 -0.7242 2.2747 2.2759 4.7435 4.7459 4.9276 4.9428 13.9326 13.9352 17.1923 17.1939 19.7133 19.7330 20.9842 20.9863 k = 0.5000-0.0624 0.5682 ( 700 PWs) bands (ev): -0.7243 -0.7171 2.3040 2.3054 4.6899 4.6924 4.8933 4.9087 14.0657 14.0679 17.3912 17.3929 19.5610 19.5812 20.7776 20.7796 k = 0.5000-0.0546 0.5738 ( 696 PWs) bands (ev): -0.7181 -0.7107 2.3315 2.3329 4.6409 4.6434 4.8627 4.8783 14.1908 14.1925 17.5923 17.5941 19.4189 19.4396 20.5694 20.5712 k = 0.5000-0.0468 0.5793 ( 696 PWs) bands (ev): -0.7125 -0.7051 2.3565 2.3580 4.5970 4.5996 4.8360 4.8517 14.3058 14.3070 17.7953 17.7972 19.2889 19.3101 20.3598 20.3616 k = 0.5000-0.0390 0.5848 ( 696 PWs) bands (ev): -0.7077 -0.7002 2.3788 2.3803 4.5587 4.5613 4.8132 4.8290 14.4086 14.4094 17.9997 18.0017 19.1732 19.1949 20.1496 20.1512 k = 0.5000-0.0312 0.5903 ( 696 PWs) bands (ev): -0.7038 -0.6962 2.3977 2.3993 4.5265 4.5292 4.7944 4.8103 14.4971 14.4975 18.2049 18.2070 19.0742 19.0963 19.9395 19.9409 k = 0.5000-0.0234 0.5958 ( 696 PWs) bands (ev): -0.7006 -0.6930 2.4129 2.4146 4.5010 4.5037 4.7797 4.7957 14.5690 14.5690 18.4095 18.4120 18.9941 19.0166 19.7309 19.7321 k = 0.5000-0.0156 0.6013 ( 700 PWs) bands (ev): -0.6984 -0.6907 2.4241 2.4258 4.4824 4.4851 4.7692 4.7853 14.6218 14.6220 18.6107 18.6135 18.9350 18.9578 19.5269 19.5276 k = 0.5000-0.0078 0.6069 ( 700 PWs) bands (ev): -0.6970 -0.6893 2.4309 2.4326 4.4711 4.4738 4.7628 4.7790 14.6542 14.6547 18.7970 18.8007 18.8988 18.9217 19.3387 19.3388 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -0.6966 -0.6888 2.4332 2.4349 4.4673 4.4700 4.7607 4.7769 14.6652 14.6657 18.8861 18.9013 18.9058 18.9096 19.2330 19.2344 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -0.6966 -0.6888 2.4332 2.4349 4.4673 4.4700 4.7607 4.7769 14.6652 14.6657 18.8861 18.9013 18.9058 18.9096 19.2330 19.2344 k = 0.4952 0.0083 0.6124 ( 700 PWs) bands (ev): -0.6981 -0.6904 2.4321 2.4338 4.4605 4.4641 4.7730 4.7888 14.6591 14.6596 18.8018 18.8085 18.9332 18.9481 19.2969 19.2993 k = 0.4904 0.0167 0.6124 ( 698 PWs) bands (ev): -0.7024 -0.6947 2.4288 2.4305 4.4409 4.4461 4.8091 4.8242 14.6406 14.6410 18.6606 18.6669 18.9742 18.9915 19.4233 19.4255 k = 0.4856 0.0250 0.6124 ( 696 PWs) bands (ev): -0.7091 -0.7014 2.4233 2.4250 4.4124 4.4189 4.8650 4.8791 14.6091 14.6093 18.5142 18.5201 19.0228 19.0412 19.5669 19.5689 k = 0.4808 0.0333 0.6124 ( 696 PWs) bands (ev): -0.7177 -0.7101 2.4157 2.4173 4.3791 4.3866 4.9358 4.9491 14.5642 14.5644 18.3730 18.3786 19.0793 19.0983 19.7168 19.7187 k = 0.4760 0.0416 0.6124 ( 696 PWs) bands (ev): -0.7279 -0.7204 2.4061 2.4077 4.3437 4.3518 5.0182 5.0307 14.5060 14.5064 18.2404 18.2456 19.1436 19.1629 19.8698 19.8716 k = 0.4712 0.0500 0.6124 ( 696 PWs) bands (ev): -0.7394 -0.7319 2.3948 2.3964 4.3077 4.3163 5.1097 5.1215 14.4350 14.4357 18.1177 18.1225 19.2155 19.2349 20.0244 20.0261 k = 0.4663 0.0583 0.6124 ( 696 PWs) bands (ev): -0.7519 -0.7445 2.3822 2.3837 4.2719 4.2809 5.2084 5.2198 14.3520 14.3529 18.0052 18.0098 19.2947 19.3142 20.1798 20.1815 k = 0.4615 0.0666 0.6124 ( 696 PWs) bands (ev): -0.7650 -0.7577 2.3684 2.3699 4.2370 4.2463 5.3131 5.3239 14.2579 14.2592 17.9031 17.9073 19.3808 19.4002 20.3356 20.3371 k = 0.4567 0.0749 0.6124 ( 700 PWs) bands (ev): -0.7786 -0.7714 2.3539 2.3554 4.2033 4.2128 5.4223 5.4326 14.1540 14.1556 17.8109 17.8148 19.4733 19.4926 20.4910 20.4925 k = 0.4519 0.0833 0.6124 ( 700 PWs) bands (ev): -0.7924 -0.7853 2.3389 2.3403 4.1711 4.1807 5.5350 5.5448 14.0419 14.0438 17.7283 17.7317 19.5718 19.5910 20.6458 20.6472 k = 0.4471 0.0916 0.6124 ( 696 PWs) bands (ev): -0.8062 -0.7991 2.3237 2.3250 4.1404 4.1501 5.6500 5.6594 13.9234 13.9256 17.6544 17.6576 19.6757 19.6946 20.7993 20.8007 k = 0.4423 0.0999 0.6124 ( 694 PWs) bands (ev): -0.8198 -0.8128 2.3085 2.3098 4.1114 4.1213 5.7663 5.7752 13.8000 13.8024 17.5887 17.5916 19.7844 19.8031 20.9510 20.9524 k = 0.4375 0.1083 0.6124 ( 691 PWs) bands (ev): -0.8330 -0.8261 2.2935 2.2948 4.0842 4.0942 5.8827 5.8912 13.6736 13.6762 17.5304 17.5331 19.8974 19.9158 21.1003 21.1017 k = 0.4327 0.1166 0.6124 ( 693 PWs) bands (ev): -0.8458 -0.8390 2.2790 2.2802 4.0588 4.0689 5.9982 6.0062 13.5461 13.5488 17.4789 17.4813 20.0141 20.0321 21.2462 21.2477 k = 0.4279 0.1249 0.6124 ( 693 PWs) bands (ev): -0.8579 -0.8512 2.2651 2.2663 4.0353 4.0455 6.1116 6.1191 13.4192 13.4221 17.4334 17.4357 20.1337 20.1514 21.3880 21.3896 k = 0.4231 0.1332 0.6124 ( 696 PWs) bands (ev): -0.8694 -0.8627 2.2520 2.2531 4.0138 4.0240 6.2217 6.2287 13.2949 13.2978 17.3936 17.3957 20.2558 20.2730 21.5243 21.5262 k = 0.4183 0.1416 0.6124 ( 693 PWs) bands (ev): -0.8800 -0.8733 2.2397 2.2408 3.9942 4.0045 6.3273 6.3338 13.1749 13.1778 17.3589 17.3608 20.3797 20.3964 21.6536 21.6558 k = 0.4135 0.1499 0.6124 ( 693 PWs) bands (ev): -0.8897 -0.8831 2.2285 2.2295 3.9767 3.9870 6.4271 6.4330 13.0612 13.0639 17.3287 17.3305 20.5046 20.5207 21.7736 21.7761 k = 0.4087 0.1582 0.6124 ( 695 PWs) bands (ev): -0.8984 -0.8919 2.2184 2.2194 3.9611 3.9714 6.5197 6.5250 12.9554 12.9580 17.3029 17.3046 20.6296 20.6450 21.8808 21.8838 k = 0.4038 0.1665 0.6124 ( 697 PWs) bands (ev): -0.9060 -0.8996 2.2095 2.2104 3.9476 3.9580 6.6038 6.6084 12.8593 12.8617 17.2810 17.2825 20.7536 20.7683 21.9695 21.9726 k = 0.3990 0.1749 0.6124 ( 697 PWs) bands (ev): -0.9126 -0.9062 2.2019 2.2027 3.9362 3.9465 6.6779 6.6819 12.7746 12.7767 17.2629 17.2643 20.8754 20.8891 22.0298 22.0318 k = 0.3942 0.1832 0.6124 ( 697 PWs) bands (ev): -0.9181 -0.9117 2.1955 2.1964 3.9268 3.9372 6.7409 6.7441 12.7028 12.7046 17.2484 17.2497 20.9927 21.0051 22.0463 22.0481 k = 0.3894 0.1915 0.6124 ( 697 PWs) bands (ev): -0.9223 -0.9159 2.1906 2.1914 3.9195 3.9299 6.7914 6.7938 12.6454 12.6468 17.2372 17.2385 21.1021 21.1127 22.0152 22.0224 k = 0.3846 0.1999 0.6124 ( 694 PWs) bands (ev): -0.9254 -0.9190 2.1870 2.1878 3.9143 3.9247 6.8284 6.8301 12.6036 12.6045 17.2293 17.2306 21.1972 21.2054 21.9614 21.9729 k = 0.3798 0.2082 0.6124 ( 694 PWs) bands (ev): -0.9272 -0.9209 2.1848 2.1856 3.9111 3.9215 6.8511 6.8520 12.5782 12.5787 17.2246 17.2258 21.2667 21.2713 21.9126 21.9269 k = 0.3750 0.2165 0.6124 ( 694 PWs) bands (ev): -0.9278 -0.9215 2.1841 2.1849 3.9101 3.9205 6.8590 6.8591 12.5697 12.5700 17.2231 17.2242 21.2944 21.2946 21.8925 21.9079 k = 0.3750 0.2165 0.6124 ( 694 PWs) bands (ev): -0.9278 -0.9215 2.1841 2.1849 3.9101 3.9205 6.8590 6.8591 12.5697 12.5700 17.2231 17.2242 21.2944 21.2946 21.8925 21.9079 k = 0.3701 0.2137 0.6044 ( 694 PWs) bands (ev): -0.9531 -0.9467 2.2119 2.2127 3.8586 3.8689 6.9038 6.9038 12.6494 12.6499 17.4249 17.4264 21.1680 21.1682 21.7907 21.8045 k = 0.3653 0.2109 0.5965 ( 694 PWs) bands (ev): -0.9833 -0.9768 2.2388 2.2397 3.8180 3.8282 6.9499 6.9499 12.7299 12.7307 17.6214 17.6231 21.0416 21.0418 21.6874 21.6995 k = 0.3604 0.2081 0.5885 ( 694 PWs) bands (ev): -1.0185 -1.0121 2.2651 2.2661 3.7887 3.7987 6.9972 6.9972 12.8115 12.8125 17.8104 17.8125 20.9154 20.9156 21.5827 21.5932 k = 0.3555 0.2053 0.5806 ( 694 PWs) bands (ev): -1.0590 -1.0527 2.2910 2.2920 3.7705 3.7803 7.0458 7.0458 12.8941 12.8953 17.9899 17.9922 20.7898 20.7899 21.4768 21.4857 k = 0.3506 0.2024 0.5726 ( 694 PWs) bands (ev): -1.1050 -1.0987 2.3169 2.3180 3.7634 3.7730 7.0956 7.0956 12.9778 12.9794 18.1574 18.1599 20.6648 20.6649 21.3702 21.3775 k = 0.3458 0.1996 0.5647 ( 694 PWs) bands (ev): -1.1565 -1.1503 2.3433 2.3445 3.7669 3.7763 7.1465 7.1465 13.0628 13.0646 18.3106 18.3133 20.5407 20.5408 21.2630 21.2688 k = 0.3409 0.1968 0.5567 ( 694 PWs) bands (ev): -1.2135 -1.2074 2.3708 2.3720 3.7805 3.7896 7.1985 7.1985 13.1491 13.1511 18.4472 18.4499 20.4176 20.4178 21.1555 21.1599 k = 0.3360 0.1940 0.5487 ( 690 PWs) bands (ev): -1.2758 -1.2699 2.4001 2.4013 3.8035 3.8124 7.2515 7.2515 13.2366 13.2389 18.5653 18.5678 20.2959 20.2960 21.0479 21.0511 k = 0.3312 0.1912 0.5408 ( 688 PWs) bands (ev): -1.3433 -1.3376 2.4317 2.4329 3.8352 3.8438 7.3054 7.3054 13.3256 13.3280 18.6632 18.6654 20.1755 20.1756 20.9405 20.9426 k = 0.3263 0.1884 0.5328 ( 682 PWs) bands (ev): -1.4157 -1.4102 2.4662 2.4673 3.8748 3.8832 7.3602 7.3602 13.4158 13.4185 18.7401 18.7418 20.0568 20.0569 20.8335 20.8345 k = 0.3214 0.1856 0.5249 ( 684 PWs) bands (ev): -1.4927 -1.4875 2.5039 2.5049 3.9216 3.9298 7.4158 7.4158 13.5074 13.5104 18.7962 18.7971 19.9397 19.9398 20.7269 20.7270 k = 0.3166 0.1828 0.5169 ( 684 PWs) bands (ev): -1.5741 -1.5691 2.5454 2.5463 3.9748 3.9828 7.4722 7.4722 13.6003 13.6035 18.8321 18.8322 19.8245 19.8246 20.6204 20.6211 k = 0.3117 0.1800 0.5090 ( 684 PWs) bands (ev): -1.6593 -1.6545 2.5908 2.5915 4.0339 4.0418 7.5292 7.5292 13.6946 13.6981 18.8487 18.8495 19.7113 19.7114 20.5147 20.5161 k = 0.3068 0.1771 0.5010 ( 684 PWs) bands (ev): -1.7480 -1.7435 2.6403 2.6408 4.0983 4.1060 7.5867 7.5868 13.7902 13.7939 18.8483 18.8502 19.6003 19.6004 20.4102 20.4121 k = 0.3019 0.1743 0.4931 ( 684 PWs) bands (ev): -1.8398 -1.8356 2.6940 2.6944 4.1675 4.1751 7.6448 7.6448 13.8871 13.8910 18.8333 18.8363 19.4915 19.4915 20.3068 20.3092 k = 0.2971 0.1715 0.4851 ( 684 PWs) bands (ev): -1.9344 -1.9304 2.7520 2.7521 4.2410 4.2485 7.7033 7.7033 13.9853 13.9894 18.8058 18.8098 19.3850 19.3850 20.2047 20.2076 k = 0.2922 0.1687 0.4772 ( 684 PWs) bands (ev): -2.0313 -2.0275 2.8141 2.8142 4.3184 4.3258 7.7621 7.7621 14.0847 14.0890 18.7677 18.7727 19.2810 19.2810 20.1040 20.1072 k = 0.2873 0.1659 0.4692 ( 686 PWs) bands (ev): -2.1301 -2.1266 2.8803 2.8806 4.3995 4.4068 7.8212 7.8212 14.1851 14.1897 18.7209 18.7268 19.1794 19.1794 20.0047 20.0083 k = 0.2825 0.1631 0.4613 ( 686 PWs) bands (ev): -2.2306 -2.2272 2.9505 2.9511 4.4839 4.4912 7.8803 7.8804 14.2867 14.2915 18.6670 18.6738 19.0805 19.0806 19.9071 19.9109 k = 0.2776 0.1603 0.4533 ( 690 PWs) bands (ev): -2.3323 -2.3292 3.0248 3.0255 4.5714 4.5786 7.9395 7.9395 14.3892 14.3943 18.6073 18.6148 18.9842 18.9842 19.8111 19.8151 k = 0.2727 0.1575 0.4454 ( 690 PWs) bands (ev): -2.4350 -2.4321 3.1029 3.1039 4.6617 4.6688 7.9987 7.9987 14.4926 14.4979 18.5429 18.5513 18.8907 18.8908 19.7169 19.7210 k = 0.2679 0.1546 0.4374 ( 688 PWs) bands (ev): -2.5383 -2.5356 3.1848 3.1861 4.7546 4.7617 8.0576 8.0577 14.5968 14.6024 18.4750 18.4841 18.8001 18.8002 19.6246 19.6288 k = 0.2630 0.1518 0.4295 ( 688 PWs) bands (ev): -2.6421 -2.6396 3.2704 3.2718 4.8499 4.8570 8.1164 8.1164 14.7017 14.7075 18.4043 18.4140 18.7123 18.7125 19.5342 19.5385 k = 0.2581 0.1490 0.4215 ( 688 PWs) bands (ev): -2.7461 -2.7437 3.3595 3.3611 4.9474 4.9546 8.1747 8.1748 14.8070 14.8130 18.3315 18.3417 18.6274 18.6276 19.4459 19.4502 k = 0.2532 0.1462 0.4136 ( 688 PWs) bands (ev): -2.8500 -2.8478 3.4519 3.4538 5.0471 5.0543 8.2326 8.2326 14.9126 14.9189 18.2571 18.2679 18.5455 18.5457 19.3598 19.3641 k = 0.2484 0.1434 0.4056 ( 688 PWs) bands (ev): -2.9536 -2.9516 3.5477 3.5498 5.1487 5.1559 8.2899 8.2899 15.0184 15.0249 18.1818 18.1930 18.4664 18.4667 19.2760 19.2803 k = 0.2435 0.1406 0.3976 ( 680 PWs) bands (ev): -3.0568 -3.0549 3.6467 3.6490 5.2521 5.2593 8.3466 8.3466 15.1242 15.1310 18.1060 18.1177 18.3903 18.3906 19.1946 19.1989 k = 0.2386 0.1378 0.3897 ( 680 PWs) bands (ev): -3.1594 -3.1576 3.7487 3.7512 5.3571 5.3644 8.4024 8.4024 15.2295 15.2366 18.0299 18.0420 18.3171 18.3174 19.1159 19.1201 k = 0.2338 0.1350 0.3817 ( 680 PWs) bands (ev): -3.2612 -3.2596 3.8536 3.8564 5.4637 5.4710 8.4574 8.4574 15.3343 15.3416 17.9540 17.9665 18.2468 18.2471 19.0398 19.0440 k = 0.2289 0.1322 0.3738 ( 680 PWs) bands (ev): -3.3621 -3.3606 3.9614 3.9643 5.5716 5.5790 8.5113 8.5113 15.4381 15.4458 17.8785 17.8913 18.1793 18.1796 18.9667 18.9708 k = 0.2240 0.1293 0.3658 ( 686 PWs) bands (ev): -3.4620 -3.4607 4.0719 4.0751 5.6809 5.6882 8.5642 8.5642 15.5407 15.5486 17.8036 17.8167 18.1145 18.1149 18.8967 18.9007 k = 0.2192 0.1265 0.3579 ( 686 PWs) bands (ev): -3.5607 -3.5595 4.1851 4.1884 5.7912 5.7986 8.6158 8.6158 15.6417 15.6498 17.7296 17.7430 18.0525 18.0529 18.8301 18.8339 k = 0.2143 0.1237 0.3499 ( 682 PWs) bands (ev): -3.6582 -3.6570 4.3009 4.3044 5.9026 5.9101 8.6662 8.6662 15.7406 15.7490 17.6568 17.6704 17.9932 17.9935 18.7670 18.7708 k = 0.2094 0.1209 0.3420 ( 682 PWs) bands (ev): -3.7543 -3.7532 4.4191 4.4227 6.0149 6.0224 8.7152 8.7152 15.8370 15.8456 17.5851 17.5989 17.9364 17.9367 18.7078 18.7115 k = 0.2045 0.1181 0.3340 ( 688 PWs) bands (ev): -3.8490 -3.8480 4.5397 4.5435 6.1279 6.1354 8.7628 8.7628 15.9302 15.9390 17.5148 17.5287 17.8819 17.8823 18.6527 18.6562 k = 0.1997 0.1153 0.3261 ( 688 PWs) bands (ev): -3.9421 -3.9412 4.6625 4.6665 6.2415 6.2491 8.8088 8.8088 16.0198 16.0288 17.4461 17.4601 17.8298 17.8301 18.6019 18.6053 k = 0.1948 0.1125 0.3181 ( 688 PWs) bands (ev): -4.0336 -4.0328 4.7876 4.7917 6.3556 6.3633 8.8532 8.8533 16.1052 16.1143 17.3790 17.3930 17.7799 17.7802 18.5558 18.5590 k = 0.1899 0.1097 0.3102 ( 680 PWs) bands (ev): -4.1234 -4.1226 4.9148 4.9190 6.4701 6.4779 8.8960 8.8961 16.1856 16.1949 17.3138 17.3277 17.7320 17.7323 18.5146 18.5177 k = 0.1851 0.1068 0.3022 ( 680 PWs) bands (ev): -4.2115 -4.2108 5.0439 5.0483 6.5848 6.5926 8.9371 8.9371 16.2605 16.2697 17.2504 17.2642 17.6860 17.6862 18.4784 18.4814 k = 0.1802 0.1040 0.2943 ( 686 PWs) bands (ev): -4.2978 -4.2972 5.1749 5.1795 6.6996 6.7074 8.9764 8.9765 16.3291 16.3381 17.1891 17.2025 17.6417 17.6419 18.4474 18.4502 k = 0.1753 0.1012 0.2863 ( 682 PWs) bands (ev): -4.3822 -4.3816 5.3078 5.3125 6.8143 6.8221 9.0140 9.0140 16.3910 16.3997 17.1300 17.1429 17.5990 17.5992 18.4216 18.4244 k = 0.1705 0.0984 0.2784 ( 682 PWs) bands (ev): -4.4647 -4.4642 5.4424 5.4472 6.9287 6.9366 9.0497 9.0497 16.4455 16.4536 17.0732 17.0855 17.5578 17.5580 18.4008 18.4035 k = 0.1656 0.0956 0.2704 ( 682 PWs) bands (ev): -4.5453 -4.5448 5.5786 5.5835 7.0428 7.0508 9.0836 9.0836 16.4923 16.4995 17.0191 17.0304 17.5179 17.5181 18.3845 18.3872 k = 0.1607 0.0928 0.2624 ( 682 PWs) bands (ev): -4.6239 -4.6234 5.7163 5.7213 7.1563 7.1643 9.1157 9.1157 16.5312 16.5370 16.9680 16.9778 17.4793 17.4794 18.3722 18.3749 k = 0.1558 0.0900 0.2545 ( 678 PWs) bands (ev): -4.7004 -4.7000 5.8554 5.8605 7.2691 7.2772 9.1460 9.1460 16.5618 16.5656 16.9204 16.9281 17.4417 17.4418 18.3629 18.3657 k = 0.1510 0.0872 0.2465 ( 678 PWs) bands (ev): -4.7749 -4.7745 5.9958 6.0010 7.3810 7.3891 9.1744 9.1744 16.5839 16.5847 16.8771 16.8819 17.4052 17.4052 18.3553 18.3582 k = 0.1461 0.0844 0.2386 ( 678 PWs) bands (ev): -4.8472 -4.8469 6.1373 6.1425 7.4919 7.5000 9.2010 9.2010 16.5940 16.5971 16.8392 16.8400 17.3696 17.3696 18.3482 18.3513 k = 0.1412 0.0815 0.2306 ( 682 PWs) bands (ev): -4.9174 -4.9172 6.2798 6.2851 7.6015 7.6096 9.2258 9.2258 16.5926 16.6007 16.8038 16.8078 17.3348 17.3348 18.3400 18.3432 k = 0.1364 0.0787 0.2227 ( 682 PWs) bands (ev): -4.9855 -4.9852 6.4231 6.4285 7.7097 7.7178 9.2490 9.2490 16.5808 16.5940 16.7746 16.7837 17.3008 17.3009 18.3290 18.3324 k = 0.1315 0.0759 0.2147 ( 682 PWs) bands (ev): -5.0514 -5.0511 6.5672 6.5726 7.8163 7.8244 9.2704 9.2705 16.5599 16.5771 16.7530 16.7660 17.2676 17.2677 18.3137 18.3173 k = 0.1266 0.0731 0.2068 ( 682 PWs) bands (ev): -5.1150 -5.1148 6.7117 6.7172 7.9211 7.9292 9.2903 9.2903 16.5325 16.5520 16.7379 16.7531 17.2352 17.2353 18.2926 18.2964 k = 0.1218 0.0703 0.1988 ( 682 PWs) bands (ev): -5.1764 -5.1762 6.8566 6.8622 8.0239 8.0319 9.3085 9.3086 16.5011 16.5213 16.7271 16.7430 17.2036 17.2037 18.2647 18.2686 k = 0.1169 0.0675 0.1909 ( 682 PWs) bands (ev): -5.2356 -5.2354 7.0016 7.0072 8.1246 8.1325 9.3253 9.3253 16.4674 16.4875 16.7188 16.7346 17.1727 17.1728 18.2288 18.2328 k = 0.1120 0.0647 0.1829 ( 682 PWs) bands (ev): -5.2924 -5.2923 7.1466 7.1522 8.2228 8.2307 9.3406 9.3406 16.4325 16.4521 16.7120 16.7272 17.1426 17.1428 18.1846 18.1886 k = 0.1071 0.0619 0.1750 ( 682 PWs) bands (ev): -5.3470 -5.3469 7.2912 7.2968 8.3186 8.3264 9.3545 9.3546 16.3971 16.4158 16.7063 16.7207 17.1134 17.1136 18.1317 18.1358 k = 0.1023 0.0590 0.1670 ( 682 PWs) bands (ev): -5.3992 -5.3991 7.4351 7.4407 8.4115 8.4192 9.3672 9.3672 16.3615 16.3792 16.7015 16.7150 17.0850 17.0852 18.0705 18.0745 k = 0.0974 0.0562 0.1591 ( 682 PWs) bands (ev): -5.4491 -5.4491 7.5782 7.5838 8.5016 8.5092 9.3786 9.3786 16.3258 16.3424 16.6977 16.7102 17.0575 17.0577 18.0014 18.0053 k = 0.0925 0.0534 0.1511 ( 680 PWs) bands (ev): -5.4967 -5.4966 7.7200 7.7256 8.5885 8.5959 9.3889 9.3889 16.2901 16.3055 16.6950 16.7065 17.0310 17.0312 17.9253 17.9291 k = 0.0877 0.0506 0.1432 ( 684 PWs) bands (ev): -5.5419 -5.5418 7.8603 7.8658 8.6721 8.6794 9.3981 9.3981 16.2543 16.2684 16.6933 16.7038 17.0055 17.0057 17.8433 17.8468 k = 0.0828 0.0478 0.1352 ( 684 PWs) bands (ev): -5.5847 -5.5847 7.9985 8.0039 8.7523 8.7593 9.4063 9.4063 16.2183 16.2312 16.6927 16.7023 16.9810 16.9813 17.7567 17.7600 k = 0.0779 0.0450 0.1272 ( 684 PWs) bands (ev): -5.6252 -5.6251 8.1343 8.1396 8.8287 8.8356 9.4135 9.4136 16.1820 16.1936 16.6933 16.7019 16.9576 16.9579 17.6670 17.6699 k = 0.0731 0.0422 0.1193 ( 685 PWs) bands (ev): -5.6632 -5.6631 8.2672 8.2724 8.9014 8.9080 9.4200 9.4200 16.1453 16.1556 16.6950 16.7027 16.9354 16.9357 17.5755 17.5781 k = 0.0682 0.0394 0.1113 ( 689 PWs) bands (ev): -5.6988 -5.6988 8.3966 8.4017 8.9701 8.9764 9.4256 9.4257 16.1080 16.1170 16.6977 16.7045 16.9144 16.9148 17.4839 17.4861 k = 0.0633 0.0366 0.1034 ( 689 PWs) bands (ev): -5.7320 -5.7320 8.5220 8.5269 9.0347 9.0407 9.4306 9.4306 16.0700 16.0777 16.7013 16.7074 16.8947 16.8951 17.3937 17.3954 k = 0.0584 0.0337 0.0954 ( 689 PWs) bands (ev): -5.7628 -5.7628 8.6427 8.6475 9.0951 9.1007 9.4349 9.4349 16.0313 16.0378 16.7057 16.7110 16.8763 16.8767 17.3063 17.3076 k = 0.0536 0.0309 0.0875 ( 689 PWs) bands (ev): -5.7911 -5.7911 8.7581 8.7627 9.1511 9.1564 9.4386 9.4387 15.9919 15.9972 16.7106 16.7152 16.8594 16.8597 17.2231 17.2239 k = 0.0487 0.0281 0.0795 ( 689 PWs) bands (ev): -5.8170 -5.8170 8.8674 8.8717 9.2026 9.2075 9.4418 9.4419 15.9520 15.9563 16.7158 16.7199 16.8438 16.8443 17.1453 17.1457 k = 0.0438 0.0253 0.0716 ( 689 PWs) bands (ev): -5.8405 -5.8405 8.9699 8.9739 9.2495 9.2541 9.4446 9.4447 15.9120 15.9152 16.7211 16.7246 16.8299 16.8303 17.0738 17.0739 k = 0.0390 0.0225 0.0636 ( 689 PWs) bands (ev): -5.8615 -5.8615 9.0647 9.0684 9.2918 9.2959 9.4469 9.4470 15.8723 15.8747 16.7261 16.7290 16.8176 16.8180 17.0094 17.0096 k = 0.0341 0.0197 0.0557 ( 693 PWs) bands (ev): -5.8800 -5.8800 9.1510 9.1544 9.3293 9.3330 9.4489 9.4490 15.8338 15.8355 16.7303 16.7327 16.8071 16.8076 16.9527 16.9531 k = 0.0292 0.0169 0.0477 ( 693 PWs) bands (ev): -5.8961 -5.8961 9.2280 9.2309 9.3620 9.3652 9.4505 9.4506 15.7973 15.7984 16.7334 16.7353 16.7987 16.7991 16.9044 16.9048 k = 0.0244 0.0141 0.0398 ( 701 PWs) bands (ev): -5.9097 -5.9097 9.2947 9.2973 9.3897 9.3925 9.4519 9.4520 15.7639 15.7645 16.7346 16.7360 16.7925 16.7928 16.8646 16.8650 k = 0.0195 0.0112 0.0318 ( 697 PWs) bands (ev): -5.9209 -5.9209 9.3505 9.3526 9.4126 9.4149 9.4532 9.4533 15.7346 15.7350 16.7338 16.7347 16.7886 16.7888 16.8335 16.8338 k = 0.0146 0.0084 0.0239 ( 703 PWs) bands (ev): -5.9295 -5.9295 9.3944 9.3960 9.4304 9.4322 9.4544 9.4545 15.7106 15.7107 16.7311 16.7315 16.7865 16.7866 16.8109 16.8111 k = 0.0097 0.0056 0.0159 ( 703 PWs) bands (ev): -5.9357 -5.9357 9.4253 9.4262 9.4438 9.4449 9.4559 9.4560 15.6927 15.6927 16.7273 16.7275 16.7857 16.7857 16.7961 16.7962 k = 0.0049 0.0028 0.0080 ( 701 PWs) bands (ev): -5.9394 -5.9394 9.4411 9.4412 9.4543 9.4545 9.4579 9.4579 15.6816 15.6816 16.7241 16.7242 16.7855 16.7855 16.7880 16.7880 k = 0.0000 0.0000 0.0000 ( 701 PWs) bands (ev): -5.9407 -5.9407 9.4447 9.4447 9.4589 9.4589 9.4589 9.4589 15.6779 15.6779 16.7229 16.7229 16.7855 16.7855 16.7855 16.7855 k = 0.0000 0.0000 0.0000 ( 701 PWs) bands (ev): -5.9407 -5.9407 9.4447 9.4447 9.4589 9.4589 9.4589 9.4589 15.6779 15.6779 16.7229 16.7229 16.7855 16.7855 16.7855 16.7855 k = 0.0079 0.0046 0.0032 ( 701 PWs) bands (ev): -5.9394 -5.9394 9.4410 9.4410 9.4545 9.4545 9.4580 9.4580 15.6816 15.6816 16.7242 16.7242 16.7863 16.7863 16.7872 16.7872 k = 0.0159 0.0092 0.0065 ( 704 PWs) bands (ev): -5.9358 -5.9358 9.4232 9.4232 9.4478 9.4478 9.4553 9.4553 15.6926 15.6926 16.7281 16.7281 16.7888 16.7888 16.7923 16.7923 k = 0.0238 0.0137 0.0097 ( 706 PWs) bands (ev): -5.9296 -5.9296 9.3885 9.3885 9.4421 9.4421 9.4508 9.4508 15.7103 15.7103 16.7344 16.7344 16.7935 16.7935 16.8009 16.8009 k = 0.0317 0.0183 0.0130 ( 694 PWs) bands (ev): -5.9209 -5.9209 9.3392 9.3392 9.4355 9.4355 9.4446 9.4446 15.7339 15.7339 16.7431 16.7431 16.8010 16.8010 16.8128 16.8128 k = 0.0397 0.0229 0.0162 ( 694 PWs) bands (ev): -5.9098 -5.9098 9.2765 9.2765 9.4273 9.4273 9.4366 9.4366 15.7620 15.7620 16.7542 16.7542 16.8117 16.8117 16.8279 16.8279 k = 0.0476 0.0275 0.0194 ( 694 PWs) bands (ev): -5.8963 -5.8963 9.2012 9.2012 9.4174 9.4174 9.4270 9.4270 15.7931 15.7931 16.7681 16.7681 16.8262 16.8262 16.8461 16.8461 k = 0.0556 0.0321 0.0227 ( 694 PWs) bands (ev): -5.8803 -5.8803 9.1141 9.1141 9.4060 9.4060 9.4157 9.4157 15.8255 15.8255 16.7858 16.7858 16.8447 16.8447 16.8671 16.8671 k = 0.0635 0.0367 0.0259 ( 691 PWs) bands (ev): -5.8618 -5.8618 9.0160 9.0160 9.3931 9.3931 9.4029 9.4029 15.8570 15.8570 16.8084 16.8084 16.8670 16.8670 16.8909 16.8909 k = 0.0714 0.0412 0.0292 ( 691 PWs) bands (ev): -5.8409 -5.8409 8.9077 8.9077 9.3786 9.3786 9.3886 9.3886 15.8857 15.8857 16.8372 16.8372 16.8932 16.8932 16.9172 16.9172 k = 0.0794 0.0458 0.0324 ( 691 PWs) bands (ev): -5.8176 -5.8176 8.7902 8.7902 9.3627 9.3627 9.3728 9.3728 15.9097 15.9097 16.8725 16.8725 16.9238 16.9238 16.9456 16.9456 k = 0.0873 0.0504 0.0356 ( 691 PWs) bands (ev): -5.7918 -5.7918 8.6641 8.6641 9.3454 9.3454 9.3557 9.3557 15.9277 15.9277 16.9131 16.9131 16.9605 16.9605 16.9759 16.9759 k = 0.0952 0.0550 0.0389 ( 691 PWs) bands (ev): -5.7636 -5.7636 8.5302 8.5302 9.3269 9.3269 9.3373 9.3373 15.9389 15.9389 16.9547 16.9547 17.0074 17.0074 17.0079 17.0079 k = 0.1032 0.0596 0.0421 ( 691 PWs) bands (ev): -5.7329 -5.7329 8.3894 8.3894 9.3072 9.3072 9.3177 9.3177 15.9431 15.9431 16.9938 16.9938 17.0410 17.0410 17.0673 17.0673 k = 0.1111 0.0642 0.0454 ( 691 PWs) bands (ev): -5.6999 -5.6999 8.2423 8.2423 9.2864 9.2864 9.2971 9.2971 15.9405 15.9405 17.0309 17.0309 17.0750 17.0750 17.1386 17.1386 k = 0.1190 0.0687 0.0486 ( 691 PWs) bands (ev): -5.6644 -5.6644 8.0895 8.0895 9.2646 9.2646 9.2754 9.2754 15.9319 15.9319 17.0670 17.0670 17.1095 17.1095 17.2188 17.2188 k = 0.1270 0.0733 0.0518 ( 691 PWs) bands (ev): -5.6266 -5.6266 7.9318 7.9318 9.2420 9.2420 9.2529 9.2529 15.9179 15.9179 17.1025 17.1025 17.1439 17.1439 17.3059 17.3059 k = 0.1349 0.0779 0.0551 ( 691 PWs) bands (ev): -5.5863 -5.5863 7.7695 7.7695 9.2185 9.2185 9.2296 9.2296 15.8995 15.8995 17.1373 17.1373 17.1780 17.1780 17.3983 17.3983 k = 0.1429 0.0825 0.0583 ( 691 PWs) bands (ev): -5.5437 -5.5437 7.6033 7.6033 9.1942 9.1942 9.2055 9.2055 15.8773 15.8773 17.1710 17.1710 17.2112 17.2112 17.4947 17.4947 k = 0.1508 0.0871 0.0616 ( 685 PWs) bands (ev): -5.4988 -5.4988 7.4337 7.4337 9.1694 9.1694 9.1809 9.1809 15.8520 15.8520 17.2034 17.2034 17.2431 17.2431 17.5942 17.5942 k = 0.1587 0.0916 0.0648 ( 685 PWs) bands (ev): -5.4515 -5.4515 7.2610 7.2610 9.1441 9.1441 9.1557 9.1557 15.8242 15.8242 17.2339 17.2339 17.2731 17.2731 17.6956 17.6956 k = 0.1667 0.0962 0.0680 ( 685 PWs) bands (ev): -5.4019 -5.4019 7.0856 7.0856 9.1183 9.1183 9.1301 9.1301 15.7945 15.7945 17.2622 17.2622 17.3010 17.3010 17.7982 17.7982 k = 0.1746 0.1008 0.0713 ( 685 PWs) bands (ev): -5.3499 -5.3499 6.9080 6.9080 9.0921 9.0921 9.1041 9.1041 15.7632 15.7632 17.2878 17.2878 17.3261 17.3261 17.9012 17.9012 k = 0.1825 0.1054 0.0745 ( 685 PWs) bands (ev): -5.2957 -5.2957 6.7285 6.7285 9.0657 9.0657 9.0778 9.0778 15.7307 15.7307 17.3104 17.3104 17.3482 17.3482 18.0039 18.0039 k = 0.1905 0.1100 0.0778 ( 691 PWs) bands (ev): -5.2392 -5.2392 6.5473 6.5473 9.0391 9.0391 9.0513 9.0513 15.6974 15.6974 17.3296 17.3296 17.3670 17.3670 18.1058 18.1058 k = 0.1984 0.1146 0.0810 ( 691 PWs) bands (ev): -5.1805 -5.1805 6.3649 6.3649 9.0124 9.0124 9.0248 9.0248 15.6635 15.6635 17.3452 17.3452 17.3820 17.3820 18.2063 18.2063 k = 0.2063 0.1191 0.0842 ( 691 PWs) bands (ev): -5.1196 -5.1196 6.1815 6.1815 8.9856 8.9856 8.9982 8.9982 15.6292 15.6292 17.3570 17.3570 17.3932 17.3932 18.3048 18.3048 k = 0.2143 0.1237 0.0875 ( 691 PWs) bands (ev): -5.0564 -5.0564 5.9972 5.9972 8.9589 8.9589 8.9717 8.9717 15.5948 15.5948 17.3647 17.3647 17.4003 17.4003 18.4011 18.4011 k = 0.2222 0.1283 0.0907 ( 685 PWs) bands (ev): -4.9911 -4.9911 5.8125 5.8125 8.9323 8.9323 8.9453 8.9453 15.5604 15.5604 17.3684 17.3684 17.4034 17.4034 18.4945 18.4945 k = 0.2302 0.1329 0.0940 ( 685 PWs) bands (ev): -4.9237 -4.9237 5.6274 5.6274 8.9059 8.9059 8.9190 8.9190 15.5261 15.5261 17.3679 17.3679 17.4023 17.4023 18.5848 18.5848 k = 0.2381 0.1375 0.0972 ( 679 PWs) bands (ev): -4.8541 -4.8541 5.4423 5.4423 8.8798 8.8798 8.8930 8.8930 15.4922 15.4922 17.3635 17.3635 17.3973 17.3973 18.6715 18.6715 k = 0.2460 0.1420 0.1004 ( 679 PWs) bands (ev): -4.7825 -4.7825 5.2572 5.2572 8.8539 8.8539 8.8672 8.8672 15.4587 15.4587 17.3552 17.3552 17.3883 17.3883 18.7543 18.7543 k = 0.2540 0.1466 0.1037 ( 685 PWs) bands (ev): -4.7089 -4.7089 5.0724 5.0724 8.8283 8.8283 8.8418 8.8418 15.4256 15.4256 17.3433 17.3433 17.3757 17.3757 18.8329 18.8329 k = 0.2619 0.1512 0.1069 ( 685 PWs) bands (ev): -4.6334 -4.6334 4.8882 4.8882 8.8032 8.8032 8.8169 8.8169 15.3932 15.3932 17.3279 17.3279 17.3597 17.3597 18.9071 18.9071 k = 0.2698 0.1558 0.1102 ( 682 PWs) bands (ev): -4.5559 -4.5559 4.7046 4.7046 8.7785 8.7785 8.7923 8.7923 15.3615 15.3615 17.3095 17.3095 17.3406 17.3406 18.9769 18.9769 k = 0.2778 0.1604 0.1134 ( 682 PWs) bands (ev): -4.4766 -4.4766 4.5220 4.5220 8.7543 8.7543 8.7683 8.7683 15.3306 15.3306 17.2882 17.2882 17.3188 17.3188 19.0417 19.0417 k = 0.2857 0.1650 0.1166 ( 682 PWs) bands (ev): -4.3955 -4.3955 4.3403 4.3403 8.7307 8.7307 8.7448 8.7448 15.3004 15.3004 17.2645 17.2645 17.2945 17.2945 19.1017 19.1017 k = 0.2937 0.1695 0.1199 ( 682 PWs) bands (ev): -4.3126 -4.3126 4.1599 4.1599 8.7077 8.7077 8.7218 8.7218 15.2712 15.2712 17.2387 17.2387 17.2681 17.2681 19.1567 19.1567 k = 0.3016 0.1741 0.1231 ( 682 PWs) bands (ev): -4.2282 -4.2282 3.9808 3.9808 8.6852 8.6852 8.6995 8.6995 15.2428 15.2428 17.2112 17.2112 17.2400 17.2400 19.2069 19.2069 k = 0.3095 0.1787 0.1264 ( 688 PWs) bands (ev): -4.1422 -4.1422 3.8034 3.8034 8.6634 8.6634 8.6778 8.6778 15.2154 15.2154 17.1822 17.1822 17.2105 17.2105 19.2521 19.2521 k = 0.3175 0.1833 0.1296 ( 688 PWs) bands (ev): -4.0548 -4.0548 3.6277 3.6277 8.6423 8.6423 8.6569 8.6569 15.1889 15.1889 17.1522 17.1522 17.1800 17.1800 19.2927 19.2927 k = 0.3254 0.1879 0.1328 ( 685 PWs) bands (ev): -3.9661 -3.9661 3.4539 3.4539 8.6220 8.6220 8.6366 8.6366 15.1636 15.1636 17.1215 17.1215 17.1487 17.1487 19.3287 19.3287 k = 0.3333 0.1925 0.1361 ( 685 PWs) bands (ev): -3.8762 -3.8762 3.2824 3.2824 8.6023 8.6023 8.6171 8.6171 15.1392 15.1392 17.0902 17.0902 17.1171 17.1171 19.3602 19.3602 k = 0.3413 0.1970 0.1393 ( 685 PWs) bands (ev): -3.7853 -3.7853 3.1132 3.1132 8.5835 8.5835 8.5983 8.5983 15.1160 15.1160 17.0589 17.0589 17.0853 17.0853 19.3877 19.3877 k = 0.3492 0.2016 0.1426 ( 685 PWs) bands (ev): -3.6935 -3.6935 2.9466 2.9466 8.5654 8.5654 8.5803 8.5803 15.0938 15.0938 17.0276 17.0276 17.0536 17.0536 19.4112 19.4112 k = 0.3571 0.2062 0.1458 ( 688 PWs) bands (ev): -3.6011 -3.6011 2.7830 2.7830 8.5482 8.5482 8.5632 8.5632 15.0726 15.0726 16.9966 16.9966 17.0223 17.0223 19.4312 19.4312 k = 0.3651 0.2108 0.1490 ( 682 PWs) bands (ev): -3.5083 -3.5083 2.6225 2.6225 8.5318 8.5318 8.5468 8.5468 15.0527 15.0527 16.9663 16.9663 16.9916 16.9916 19.4480 19.4480 k = 0.3730 0.2154 0.1523 ( 682 PWs) bands (ev): -3.4153 -3.4153 2.4655 2.4655 8.5162 8.5162 8.5314 8.5314 15.0338 15.0338 16.9367 16.9367 16.9617 16.9617 19.4617 19.4617 k = 0.3810 0.2199 0.1555 ( 682 PWs) bands (ev): -3.3225 -3.3225 2.3123 2.3123 8.5015 8.5015 8.5167 8.5167 15.0161 15.0161 16.9081 16.9081 16.9328 16.9328 19.4729 19.4729 k = 0.3889 0.2245 0.1588 ( 682 PWs) bands (ev): -3.2302 -3.2302 2.1634 2.1634 8.4877 8.4877 8.5030 8.5030 14.9995 14.9995 16.8806 16.8806 16.9051 16.9051 19.4816 19.4816 k = 0.3968 0.2291 0.1620 ( 679 PWs) bands (ev): -3.1389 -3.1389 2.0191 2.0191 8.4748 8.4748 8.4902 8.4902 14.9840 14.9840 16.8544 16.8544 16.8786 16.8786 19.4884 19.4884 k = 0.4048 0.2337 0.1652 ( 682 PWs) bands (ev): -3.0491 -3.0491 1.8801 1.8801 8.4628 8.4628 8.4783 8.4783 14.9696 14.9696 16.8297 16.8297 16.8537 16.8537 19.4933 19.4933 k = 0.4127 0.2383 0.1685 ( 682 PWs) bands (ev): -2.9612 -2.9612 1.7469 1.7469 8.4518 8.4518 8.4672 8.4672 14.9565 14.9565 16.8065 16.8065 16.8303 16.8303 19.4969 19.4969 k = 0.4206 0.2429 0.1717 ( 682 PWs) bands (ev): -2.8760 -2.8760 1.6203 1.6203 8.4416 8.4416 8.4572 8.4572 14.9444 14.9444 16.7849 16.7849 16.8085 16.8085 19.4993 19.4993 k = 0.4286 0.2474 0.1750 ( 682 PWs) bands (ev): -2.7942 -2.7942 1.5009 1.5009 8.4324 8.4324 8.4480 8.4480 14.9336 14.9336 16.7652 16.7652 16.7886 16.7886 19.5007 19.5007 k = 0.4365 0.2520 0.1782 ( 682 PWs) bands (ev): -2.7166 -2.7166 1.3896 1.3896 8.4242 8.4242 8.4398 8.4398 14.9238 14.9238 16.7472 16.7472 16.7706 16.7706 19.5014 19.5014 k = 0.4444 0.2566 0.1814 ( 694 PWs) bands (ev): -2.6443 -2.6443 1.2875 1.2875 8.4169 8.4169 8.4325 8.4325 14.9152 14.9152 16.7311 16.7311 16.7543 16.7543 19.5016 19.5016 k = 0.4524 0.2612 0.1847 ( 700 PWs) bands (ev): -2.5783 -2.5783 1.1956 1.1956 8.4105 8.4105 8.4262 8.4262 14.9078 14.9078 16.7171 16.7171 16.7402 16.7402 19.5013 19.5013 k = 0.4603 0.2658 0.1879 ( 700 PWs) bands (ev): -2.5196 -2.5196 1.1150 1.1150 8.4051 8.4051 8.4208 8.4208 14.9015 14.9015 16.7052 16.7052 16.7282 16.7282 19.5009 19.5009 k = 0.4683 0.2703 0.1912 ( 700 PWs) bands (ev): -2.4695 -2.4695 1.0470 1.0470 8.4007 8.4007 8.4165 8.4165 14.8964 14.8964 16.6954 16.6954 16.7183 16.7183 19.5004 19.5004 k = 0.4762 0.2749 0.1944 ( 700 PWs) bands (ev): -2.4290 -2.4290 0.9926 0.9926 8.3973 8.3973 8.4131 8.4131 14.8923 14.8923 16.6877 16.6877 16.7106 16.7106 19.4999 19.4999 k = 0.4841 0.2795 0.1976 ( 700 PWs) bands (ev): -2.3993 -2.3993 0.9529 0.9529 8.3949 8.3949 8.4106 8.4106 14.8895 14.8895 16.6822 16.6822 16.7050 16.7050 19.4995 19.4995 k = 0.4921 0.2841 0.2009 ( 700 PWs) bands (ev): -2.3811 -2.3811 0.9287 0.9287 8.3934 8.3934 8.4092 8.4092 14.8878 14.8878 16.6789 16.6789 16.7017 16.7017 19.4992 19.4992 k = 0.5000 0.2887 0.2041 ( 700 PWs) bands (ev): -2.3750 -2.3750 0.9206 0.9206 8.3929 8.3929 8.4087 8.4087 14.8872 14.8872 16.6778 16.6778 16.7006 16.7006 19.4991 19.4991 k = 0.5000 0.2887 0.2041 ( 700 PWs) bands (ev): -2.3750 -2.3750 0.9206 0.9206 8.3929 8.3929 8.4087 8.4087 14.8872 14.8872 16.6778 16.6778 16.7006 16.7006 19.4991 19.4991 k = 0.5028 0.2807 0.2087 ( 700 PWs) bands (ev): -2.3741 -2.3739 0.9216 0.9218 8.3883 8.3886 8.4049 8.4049 14.8917 14.8917 16.6751 16.6754 16.7003 16.7004 19.5069 19.5073 k = 0.5056 0.2726 0.2132 ( 700 PWs) bands (ev): -2.3711 -2.3708 0.9249 0.9251 8.3715 8.3722 8.3967 8.3968 14.9049 14.9049 16.6599 16.6605 16.7076 16.7077 19.5303 19.5311 k = 0.5083 0.2646 0.2177 ( 700 PWs) bands (ev): -2.3661 -2.3656 0.9304 0.9307 8.3403 8.3413 8.3868 8.3869 14.9262 14.9263 16.6305 16.6313 16.7255 16.7255 19.5682 19.5694 k = 0.5111 0.2566 0.2223 ( 698 PWs) bands (ev): -2.3591 -2.3584 0.9381 0.9386 8.2959 8.2972 8.3744 8.3745 14.9545 14.9545 16.5911 16.5919 16.7520 16.7521 19.6189 19.6205 k = 0.5139 0.2486 0.2268 ( 690 PWs) bands (ev): -2.3500 -2.3492 0.9480 0.9486 8.2394 8.2409 8.3591 8.3592 14.9880 14.9881 16.5452 16.5460 16.7865 16.7866 19.6804 19.6823 k = 0.5167 0.2406 0.2313 ( 691 PWs) bands (ev): -2.3390 -2.3380 0.9601 0.9608 8.1714 8.1731 8.3408 8.3409 15.0244 15.0247 16.4965 16.4972 16.8285 16.8285 19.7502 19.7524 k = 0.5194 0.2325 0.2359 ( 689 PWs) bands (ev): -2.3259 -2.3248 0.9744 0.9752 8.0928 8.0948 8.3195 8.3196 15.0606 15.0611 16.4493 16.4498 16.8779 16.8779 19.8263 19.8286 k = 0.5222 0.2245 0.2404 ( 689 PWs) bands (ev): -2.3109 -2.3096 0.9908 0.9918 8.0044 8.0067 8.2954 8.2955 15.0927 15.0935 16.4085 16.4087 16.9344 16.9344 19.9063 19.9087 k = 0.5250 0.2165 0.2449 ( 689 PWs) bands (ev): -2.2939 -2.2924 1.0095 1.0105 7.9070 7.9095 8.2686 8.2687 15.1162 15.1175 16.3791 16.3794 16.9978 16.9979 19.9881 19.9906 k = 0.5278 0.2085 0.2495 ( 689 PWs) bands (ev): -2.2749 -2.2733 1.0302 1.0314 7.8014 7.8041 8.2393 8.2394 15.1265 15.1282 16.3663 16.3671 17.0681 17.0681 20.0698 20.0723 k = 0.5306 0.2005 0.2540 ( 691 PWs) bands (ev): -2.2540 -2.2522 1.0531 1.0544 7.6884 7.6913 8.2076 8.2076 15.1198 15.1220 16.3743 16.3757 17.1448 17.1448 20.1495 20.1520 k = 0.5333 0.1925 0.2586 ( 691 PWs) bands (ev): -2.2312 -2.2293 1.0781 1.0795 7.5687 7.5718 8.1737 8.1737 15.0945 15.0971 16.4051 16.4069 17.2279 17.2279 20.2256 20.2280 k = 0.5361 0.1844 0.2631 ( 687 PWs) bands (ev): -2.2064 -2.2043 1.1052 1.1067 7.4431 7.4463 8.1378 8.1379 15.0513 15.0542 16.4580 16.4603 17.3171 17.3171 20.2967 20.2990 k = 0.5389 0.1764 0.2676 ( 687 PWs) bands (ev): -2.1798 -2.1776 1.1344 1.1360 7.3122 7.3156 8.1001 8.1002 14.9926 14.9958 16.5306 16.5331 17.4121 17.4121 20.3614 20.3636 k = 0.5417 0.1684 0.2722 ( 685 PWs) bands (ev): -2.1514 -2.1490 1.1655 1.1673 7.1767 7.1803 8.0608 8.0609 14.9216 14.9250 16.6193 16.6221 17.5127 17.5127 20.4187 20.4207 k = 0.5444 0.1604 0.2767 ( 688 PWs) bands (ev): -2.1212 -2.1186 1.1987 1.2005 7.0373 7.0411 8.0200 8.0201 14.8415 14.8449 16.7210 16.7239 17.6184 17.6184 20.4674 20.4692 k = 0.5472 0.1524 0.2812 ( 688 PWs) bands (ev): -2.0891 -2.0864 1.2338 1.2357 6.8945 6.8984 7.9780 7.9780 14.7547 14.7582 16.8328 16.8357 17.7293 17.7293 20.5071 20.5088 k = 0.5500 0.1443 0.2858 ( 690 PWs) bands (ev): -2.0554 -2.0525 1.2708 1.2728 6.7488 6.7530 7.9349 7.9349 14.6634 14.6668 16.9520 16.9549 17.8448 17.8448 20.5373 20.5388 k = 0.5528 0.1363 0.2903 ( 688 PWs) bands (ev): -2.0199 -2.0168 1.3096 1.3117 6.6009 6.6052 7.8909 7.8909 14.5692 14.5725 17.0765 17.0795 17.9648 17.9649 20.5578 20.5591 k = 0.5556 0.1283 0.2948 ( 688 PWs) bands (ev): -1.9828 -1.9796 1.3502 1.3524 6.4512 6.4557 7.8461 7.8462 14.4731 14.4764 17.2047 17.2075 18.0890 18.0890 20.5686 20.5698 k = 0.5583 0.1203 0.2994 ( 690 PWs) bands (ev): -1.9441 -1.9407 1.3925 1.3947 6.3001 6.3048 7.8008 7.8009 14.3762 14.3794 17.3347 17.3375 18.2170 18.2171 20.5704 20.5715 k = 0.5611 0.1123 0.3039 ( 689 PWs) bands (ev): -1.9039 -1.9003 1.4364 1.4387 6.1482 6.1530 7.7551 7.7552 14.2792 14.2824 17.4651 17.4676 18.3486 18.3486 20.5639 20.5650 k = 0.5639 0.1042 0.3085 ( 689 PWs) bands (ev): -1.8622 -1.8585 1.4819 1.4842 5.9959 6.0009 7.7092 7.7092 14.1826 14.1857 17.5940 17.5963 18.4833 18.4834 20.5503 20.5516 k = 0.5667 0.0962 0.3130 ( 690 PWs) bands (ev): -1.8191 -1.8153 1.5287 1.5311 5.8436 5.8488 7.6631 7.6632 14.0869 14.0899 17.7197 17.7218 18.6210 18.6210 20.5315 20.5330 k = 0.5694 0.0882 0.3175 ( 690 PWs) bands (ev): -1.7748 -1.7708 1.5768 1.5793 5.6918 5.6972 7.6171 7.6171 13.9924 13.9953 17.8401 17.8419 18.7611 18.7611 20.5095 20.5114 k = 0.5722 0.0802 0.3221 ( 690 PWs) bands (ev): -1.7292 -1.7251 1.6261 1.6286 5.5411 5.5466 7.5712 7.5713 13.8994 13.9022 17.9530 17.9544 18.9033 18.9033 20.4871 20.4894 k = 0.5750 0.0722 0.3266 ( 690 PWs) bands (ev): -1.6826 -1.6783 1.6762 1.6787 5.3918 5.3975 7.5257 7.5257 13.8082 13.8108 18.0557 18.0567 19.0472 19.0473 20.4674 20.4702 k = 0.5778 0.0642 0.3311 ( 690 PWs) bands (ev): -1.6350 -1.6305 1.7270 1.7296 5.2444 5.2504 7.4805 7.4805 13.7188 13.7213 18.1453 18.1457 19.1924 19.1925 20.4539 20.4574 k = 0.5806 0.0561 0.3357 ( 692 PWs) bands (ev): -1.5866 -1.5819 1.7783 1.7809 5.0997 5.1059 7.4358 7.4358 13.6314 13.6338 18.2185 18.2187 19.3385 19.3386 20.4503 20.4545 k = 0.5833 0.0481 0.3402 ( 698 PWs) bands (ev): -1.5376 -1.5327 1.8297 1.8322 4.9581 4.9645 7.3918 7.3918 13.5462 13.5485 18.2721 18.2728 19.4848 19.4849 20.4599 20.4649 k = 0.5861 0.0401 0.3447 ( 695 PWs) bands (ev): -1.4880 -1.4830 1.8807 1.8832 4.8205 4.8271 7.3485 7.3485 13.4633 13.4655 18.3046 18.3059 19.6310 19.6311 20.4858 20.4916 k = 0.5889 0.0321 0.3493 ( 693 PWs) bands (ev): -1.4382 -1.4330 1.9310 1.9335 4.6875 4.6944 7.3059 7.3060 13.3828 13.3848 18.3148 18.3165 19.7764 19.7766 20.5295 20.5361 k = 0.5917 0.0241 0.3538 ( 693 PWs) bands (ev): -1.3883 -1.3830 1.9800 1.9823 4.5601 4.5673 7.2643 7.2643 13.3047 13.3066 18.3030 18.3051 19.9205 19.9206 20.5912 20.5984 k = 0.5944 0.0160 0.3584 ( 693 PWs) bands (ev): -1.3386 -1.3332 2.0269 2.0291 4.4394 4.4469 7.2236 7.2237 13.2290 13.2308 18.2707 18.2730 20.0625 20.0627 20.6698 20.6776 k = 0.5972 0.0080 0.3629 ( 695 PWs) bands (ev): -1.2895 -1.2839 2.0710 2.0731 4.3264 4.3343 7.1840 7.1841 13.1559 13.1576 18.2203 18.2227 20.2018 20.2020 20.7632 20.7715 k = 0.6000 0.0000 0.3674 ( 695 PWs) bands (ev): -1.2412 -1.2355 2.1113 2.1132 4.2227 4.2309 7.1455 7.1456 13.0854 13.0869 18.1544 18.1569 20.3378 20.3380 20.8688 20.8776 k = 0.6028-0.0080 0.3720 ( 695 PWs) bands (ev): -1.1942 -1.1883 2.1467 2.1485 4.1296 4.1382 7.1082 7.1083 13.0174 13.0188 18.0759 18.0783 20.4695 20.4697 20.9841 20.9933 k = 0.6056-0.0160 0.3765 ( 695 PWs) bands (ev): -1.1489 -1.1429 2.1762 2.1778 4.0488 4.0578 7.0722 7.0722 12.9521 12.9534 17.9872 17.9894 20.5964 20.5966 21.1062 21.1158 k = 0.6083-0.0241 0.3810 ( 696 PWs) bands (ev): -1.1057 -1.0996 2.1988 2.2001 3.9818 3.9911 7.0374 7.0374 12.8894 12.8905 17.8903 17.8925 20.7176 20.7178 21.2327 21.2428 k = 0.6111-0.0321 0.3856 ( 696 PWs) bands (ev): -1.0653 -1.0591 2.2136 2.2148 3.9300 3.9396 7.0040 7.0041 12.8294 12.8304 17.7873 17.7893 20.8325 20.8328 21.3609 21.3716 k = 0.6139-0.0401 0.3901 ( 696 PWs) bands (ev): -1.0283 -1.0220 2.2205 2.2215 3.8943 3.9041 6.9720 6.9721 12.7721 12.7729 17.6795 17.6813 20.9405 20.9407 21.4881 21.4994 k = 0.6167-0.0481 0.3946 ( 692 PWs) bands (ev): -0.9953 -0.9890 2.2196 2.2205 3.8750 3.8851 6.9415 6.9415 12.7175 12.7182 17.5682 17.5699 21.0412 21.0414 21.6107 21.6228 k = 0.6194-0.0561 0.3992 ( 694 PWs) bands (ev): -0.9671 -0.9607 2.2121 2.2129 3.8719 3.8822 6.9125 6.9125 12.6655 12.6661 17.4545 17.4560 21.1338 21.1340 21.7237 21.7368 k = 0.6222-0.0642 0.4037 ( 694 PWs) bands (ev): -0.9443 -0.9379 2.1995 2.2003 3.8841 3.8944 6.8850 6.8850 12.6163 12.6167 17.3392 17.3405 21.2182 21.2184 21.8204 21.8347 k = 0.6250-0.0722 0.4082 ( 694 PWs) bands (ev): -0.9278 -0.9215 2.1841 2.1849 3.9101 3.9205 6.8590 6.8591 12.5697 12.5700 17.2231 17.2242 21.2944 21.2946 21.8925 21.9079 k = 0.6250-0.0722 0.4082 ( 694 PWs) bands (ev): -0.9278 -0.9215 2.1841 2.1849 3.9101 3.9205 6.8590 6.8591 12.5697 12.5700 17.2231 17.2242 21.2944 21.2946 21.8925 21.9079 k = 0.6202-0.0694 0.4161 ( 694 PWs) bands (ev): -0.9272 -0.9209 2.1848 2.1856 3.9111 3.9215 6.8511 6.8520 12.5782 12.5787 17.2246 17.2258 21.2667 21.2713 21.9126 21.9269 k = 0.6154-0.0666 0.4240 ( 694 PWs) bands (ev): -0.9254 -0.9190 2.1870 2.1878 3.9143 3.9247 6.8284 6.8301 12.6036 12.6045 17.2293 17.2306 21.1972 21.2054 21.9614 21.9729 k = 0.6106-0.0638 0.4318 ( 697 PWs) bands (ev): -0.9223 -0.9159 2.1906 2.1914 3.9195 3.9299 6.7914 6.7938 12.6454 12.6468 17.2372 17.2385 21.1021 21.1127 22.0152 22.0224 k = 0.6058-0.0611 0.4397 ( 697 PWs) bands (ev): -0.9181 -0.9117 2.1955 2.1964 3.9268 3.9372 6.7409 6.7441 12.7028 12.7046 17.2484 17.2497 20.9927 21.0051 22.0463 22.0481 k = 0.6010-0.0583 0.4475 ( 697 PWs) bands (ev): -0.9126 -0.9062 2.2019 2.2027 3.9362 3.9465 6.6779 6.6819 12.7746 12.7767 17.2629 17.2643 20.8754 20.8891 22.0298 22.0318 k = 0.5962-0.0555 0.4554 ( 697 PWs) bands (ev): -0.9060 -0.8996 2.2095 2.2104 3.9476 3.9580 6.6038 6.6084 12.8593 12.8617 17.2810 17.2825 20.7536 20.7683 21.9695 21.9726 k = 0.5913-0.0527 0.4632 ( 695 PWs) bands (ev): -0.8984 -0.8919 2.2184 2.2194 3.9611 3.9714 6.5197 6.5250 12.9554 12.9580 17.3029 17.3046 20.6296 20.6450 21.8808 21.8838 k = 0.5865-0.0500 0.4711 ( 693 PWs) bands (ev): -0.8897 -0.8831 2.2285 2.2295 3.9767 3.9870 6.4271 6.4330 13.0612 13.0639 17.3287 17.3305 20.5046 20.5207 21.7736 21.7761 k = 0.5817-0.0472 0.4789 ( 693 PWs) bands (ev): -0.8800 -0.8733 2.2397 2.2408 3.9942 4.0045 6.3273 6.3338 13.1749 13.1778 17.3589 17.3608 20.3797 20.3964 21.6536 21.6558 k = 0.5769-0.0444 0.4868 ( 696 PWs) bands (ev): -0.8694 -0.8627 2.2520 2.2531 4.0138 4.0240 6.2217 6.2287 13.2949 13.2978 17.3936 17.3957 20.2558 20.2730 21.5243 21.5262 k = 0.5721-0.0416 0.4946 ( 693 PWs) bands (ev): -0.8579 -0.8512 2.2651 2.2663 4.0353 4.0455 6.1116 6.1191 13.4192 13.4221 17.4334 17.4357 20.1337 20.1514 21.3880 21.3896 k = 0.5673-0.0389 0.5025 ( 693 PWs) bands (ev): -0.8458 -0.8390 2.2790 2.2802 4.0588 4.0689 5.9982 6.0062 13.5461 13.5488 17.4789 17.4813 20.0141 20.0321 21.2462 21.2477 k = 0.5625-0.0361 0.5103 ( 691 PWs) bands (ev): -0.8330 -0.8261 2.2935 2.2948 4.0842 4.0942 5.8827 5.8912 13.6736 13.6762 17.5304 17.5331 19.8974 19.9158 21.1003 21.1017 k = 0.5577-0.0333 0.5182 ( 694 PWs) bands (ev): -0.8198 -0.8128 2.3085 2.3098 4.1114 4.1213 5.7663 5.7752 13.8000 13.8024 17.5887 17.5916 19.7844 19.8031 20.9510 20.9524 k = 0.5529-0.0305 0.5260 ( 696 PWs) bands (ev): -0.8062 -0.7991 2.3237 2.3250 4.1404 4.1501 5.6500 5.6594 13.9234 13.9256 17.6544 17.6576 19.6757 19.6946 20.7993 20.8007 k = 0.5481-0.0278 0.5339 ( 700 PWs) bands (ev): -0.7924 -0.7853 2.3389 2.3403 4.1711 4.1807 5.5350 5.5448 14.0419 14.0438 17.7283 17.7317 19.5718 19.5910 20.6458 20.6472 k = 0.5433-0.0250 0.5417 ( 700 PWs) bands (ev): -0.7786 -0.7714 2.3539 2.3554 4.2033 4.2128 5.4223 5.4326 14.1540 14.1556 17.8109 17.8148 19.4733 19.4926 20.4910 20.4925 k = 0.5385-0.0222 0.5496 ( 696 PWs) bands (ev): -0.7650 -0.7577 2.3684 2.3699 4.2370 4.2463 5.3131 5.3239 14.2579 14.2592 17.9031 17.9073 19.3808 19.4002 20.3356 20.3371 k = 0.5337-0.0194 0.5574 ( 696 PWs) bands (ev): -0.7519 -0.7445 2.3822 2.3837 4.2719 4.2809 5.2084 5.2198 14.3520 14.3529 18.0052 18.0098 19.2947 19.3142 20.1798 20.1815 k = 0.5288-0.0167 0.5653 ( 696 PWs) bands (ev): -0.7394 -0.7319 2.3948 2.3964 4.3077 4.3163 5.1097 5.1215 14.4350 14.4357 18.1177 18.1225 19.2155 19.2349 20.0244 20.0261 k = 0.5240-0.0139 0.5731 ( 696 PWs) bands (ev): -0.7279 -0.7204 2.4061 2.4077 4.3437 4.3518 5.0182 5.0307 14.5060 14.5064 18.2404 18.2456 19.1436 19.1629 19.8698 19.8716 k = 0.5192-0.0111 0.5810 ( 696 PWs) bands (ev): -0.7177 -0.7101 2.4157 2.4173 4.3791 4.3866 4.9358 4.9491 14.5642 14.5644 18.3730 18.3786 19.0793 19.0983 19.7168 19.7187 k = 0.5144-0.0083 0.5888 ( 696 PWs) bands (ev): -0.7091 -0.7014 2.4233 2.4250 4.4124 4.4189 4.8650 4.8791 14.6091 14.6093 18.5142 18.5201 19.0228 19.0412 19.5669 19.5689 k = 0.5096-0.0056 0.5967 ( 698 PWs) bands (ev): -0.7024 -0.6947 2.4288 2.4305 4.4409 4.4461 4.8091 4.8242 14.6406 14.6410 18.6606 18.6669 18.9742 18.9915 19.4233 19.4255 k = 0.5048-0.0028 0.6045 ( 700 PWs) bands (ev): -0.6981 -0.6904 2.4321 2.4338 4.4605 4.4641 4.7730 4.7888 14.6591 14.6596 18.8018 18.8085 18.9332 18.9481 19.2969 19.2993 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -0.6966 -0.6888 2.4332 2.4349 4.4673 4.4700 4.7607 4.7769 14.6652 14.6657 18.8861 18.9013 18.9058 18.9096 19.2330 19.2344 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -0.6966 -0.6888 2.4332 2.4349 4.4673 4.4700 4.7607 4.7769 14.6652 14.6657 18.8861 18.9013 18.9058 18.9096 19.2330 19.2344 k = 0.5000 0.0057 0.6044 ( 700 PWs) bands (ev): -0.6994 -0.6917 2.4335 2.4352 4.4514 4.4556 4.7820 4.7976 14.6645 14.6649 18.8189 18.8312 18.9524 18.9590 19.2557 19.2619 k = 0.5000 0.0113 0.5964 ( 698 PWs) bands (ev): -0.7079 -0.7002 2.4341 2.4358 4.4146 4.4207 4.8359 4.8505 14.6623 14.6628 18.7298 18.7430 18.9894 18.9951 19.3196 19.3297 k = 0.5000 0.0170 0.5884 ( 696 PWs) bands (ev): -0.7218 -0.7142 2.4347 2.4364 4.3718 4.3791 4.9081 4.9219 14.6588 14.6593 18.6340 18.6479 19.0185 19.0238 19.4079 19.4198 k = 0.5000 0.0226 0.5804 ( 694 PWs) bands (ev): -0.7410 -0.7334 2.4346 2.4363 4.3310 4.3391 4.9908 5.0040 14.6540 14.6545 18.5355 18.5497 19.0472 19.0524 19.5085 19.5213 k = 0.5000 0.0283 0.5723 ( 694 PWs) bands (ev): -0.7652 -0.7577 2.4329 2.4346 4.2966 4.3052 5.0801 5.0929 14.6480 14.6486 18.4362 18.4505 19.0788 19.0841 19.6156 19.6287 k = 0.5000 0.0340 0.5643 ( 694 PWs) bands (ev): -0.7940 -0.7866 2.4286 2.4303 4.2710 4.2799 5.1741 5.1866 14.6412 14.6418 18.3370 18.3515 19.1147 19.1200 19.7263 19.7394 k = 0.5000 0.0396 0.5563 ( 692 PWs) bands (ev): -0.8269 -0.8197 2.4208 2.4225 4.2559 4.2650 5.2717 5.2840 14.6336 14.6343 18.2387 18.2532 19.1552 19.1606 19.8389 19.8520 k = 0.5000 0.0453 0.5483 ( 694 PWs) bands (ev): -0.8637 -0.8565 2.4085 2.4103 4.2523 4.2615 5.3722 5.3843 14.6255 14.6263 18.1415 18.1560 19.2004 19.2059 19.9523 19.9652 k = 0.5000 0.0509 0.5403 ( 694 PWs) bands (ev): -0.9037 -0.8967 2.3912 2.3930 4.2609 4.2702 5.4748 5.4868 14.6173 14.6181 18.0457 18.0601 19.2500 19.2557 20.0657 20.0782 k = 0.5000 0.0566 0.5323 ( 696 PWs) bands (ev): -0.9467 -0.9399 2.3685 2.3704 4.2821 4.2913 5.5792 5.5910 14.6091 14.6100 17.9514 17.9658 19.3037 19.3096 20.1777 20.1898 k = 0.5000 0.0623 0.5243 ( 692 PWs) bands (ev): -0.9921 -0.9854 2.3404 2.3424 4.3156 4.3247 5.6849 5.6967 14.6014 14.6023 17.8587 17.8731 19.3612 19.3673 20.2875 20.2990 k = 0.5000 0.0679 0.5163 ( 692 PWs) bands (ev): -1.0396 -1.0331 2.3071 2.3092 4.3610 4.3701 5.7917 5.8033 14.5943 14.5952 17.7678 17.7821 19.4220 19.4283 20.3932 20.4039 k = 0.5000 0.0736 0.5083 ( 694 PWs) bands (ev): -1.0888 -1.0825 2.2690 2.2712 4.4176 4.4266 5.8991 5.9107 14.5881 14.5892 17.6786 17.6929 19.4854 19.4919 20.4925 20.5024 k = 0.5000 0.0792 0.5003 ( 692 PWs) bands (ev): -1.1393 -1.1331 2.2268 2.2291 4.4847 4.4936 6.0070 6.0185 14.5833 14.5845 17.5912 17.6055 19.5510 19.5577 20.5825 20.5912 k = 0.5000 0.0849 0.4923 ( 692 PWs) bands (ev): -1.1908 -1.1848 2.1810 2.1834 4.5613 4.5701 6.1150 6.1263 14.5800 14.5813 17.5057 17.5200 19.6179 19.6248 20.6584 20.6660 k = 0.5000 0.0906 0.4843 ( 692 PWs) bands (ev): -1.2430 -1.2371 2.1324 2.1349 4.6465 4.6551 6.2228 6.2341 14.5787 14.5800 17.4221 17.4363 19.6853 19.6925 20.7147 20.7210 k = 0.5000 0.0962 0.4763 ( 692 PWs) bands (ev): -1.2956 -1.2899 2.0816 2.0841 4.7395 4.7480 6.3302 6.3414 14.5794 14.5809 17.3404 17.3546 19.7522 19.7596 20.7445 20.7493 k = 0.5000 0.1019 0.4683 ( 694 PWs) bands (ev): -1.3483 -1.3428 2.0291 2.0317 4.8394 4.8478 6.4369 6.4480 14.5826 14.5843 17.2607 17.2747 19.8169 19.8246 20.7419 20.7453 k = 0.5000 0.1075 0.4603 ( 694 PWs) bands (ev): -1.4010 -1.3957 1.9756 1.9782 4.9454 4.9537 6.5427 6.5537 14.5885 14.5903 17.1828 17.1969 19.8772 19.8852 20.7049 20.7069 k = 0.5000 0.1132 0.4523 ( 692 PWs) bands (ev): -1.4533 -1.4482 1.9214 1.9241 5.0570 5.0652 6.6473 6.6582 14.5974 14.5993 17.1070 17.1210 19.9291 19.9375 20.6378 20.6396 k = 0.5000 0.1189 0.4443 ( 692 PWs) bands (ev): -1.5053 -1.5003 1.8670 1.8696 5.1734 5.1815 6.7505 6.7612 14.6093 14.6114 17.0331 17.0470 19.9648 19.9736 20.5528 20.5560 k = 0.5000 0.1245 0.4363 ( 692 PWs) bands (ev): -1.5565 -1.5517 1.8126 1.8153 5.2941 5.3021 6.8520 6.8626 14.6246 14.6269 16.9611 16.9751 19.9696 19.9780 20.4725 20.4768 k = 0.5000 0.1302 0.4283 ( 692 PWs) bands (ev): -1.6070 -1.6024 1.7587 1.7614 5.4185 5.4265 6.9516 6.9621 14.6433 14.6458 16.8912 16.9051 19.9231 19.9295 20.4238 20.4276 k = 0.5000 0.1358 0.4203 ( 686 PWs) bands (ev): -1.6565 -1.6520 1.7055 1.7081 5.5463 5.5542 7.0492 7.0594 14.6657 14.6683 16.8233 16.8372 19.8202 19.8238 20.4160 20.4180 k = 0.5000 0.1415 0.4123 ( 682 PWs) bands (ev): -1.7050 -1.7007 1.6531 1.6557 5.6770 5.6847 7.1443 7.1544 14.6916 14.6945 16.7574 16.7712 19.6774 19.6793 20.4339 20.4345 k = 0.5000 0.1472 0.4042 ( 682 PWs) bands (ev): -1.7523 -1.7482 1.6018 1.6043 5.8100 5.8177 7.2369 7.2468 14.7212 14.7243 16.6935 16.7074 19.5116 19.5143 20.4614 20.4618 k = 0.5000 0.1528 0.3962 ( 684 PWs) bands (ev): -1.7984 -1.7944 1.5517 1.5542 5.9450 5.9526 7.3267 7.3363 14.7544 14.7576 16.6317 16.6456 19.3341 19.3380 20.4901 20.4910 k = 0.5000 0.1585 0.3882 ( 688 PWs) bands (ev): -1.8430 -1.8393 1.5030 1.5054 6.0816 6.0891 7.4135 7.4229 14.7910 14.7944 16.5721 16.5860 19.1509 19.1559 20.5158 20.5170 k = 0.5000 0.1641 0.3802 ( 688 PWs) bands (ev): -1.8863 -1.8827 1.4558 1.4582 6.2194 6.2267 7.4972 7.5064 14.8307 14.8344 16.5149 16.5288 18.9656 18.9713 20.5359 20.5372 k = 0.5000 0.1698 0.3722 ( 688 PWs) bands (ev): -1.9280 -1.9245 1.4102 1.4125 6.3579 6.3652 7.5776 7.5865 14.8733 14.8772 16.4601 16.4741 18.7803 18.7867 20.5485 20.5499 k = 0.5000 0.1755 0.3642 ( 688 PWs) bands (ev): -1.9681 -1.9648 1.3663 1.3685 6.4968 6.5039 7.6546 7.6632 14.9181 14.9222 16.4083 16.4222 18.5968 18.6038 20.5525 20.5540 k = 0.5000 0.1811 0.3562 ( 688 PWs) bands (ev): -2.0066 -2.0035 1.3242 1.3263 6.6356 6.6425 7.7281 7.7364 14.9643 14.9686 16.3598 16.3737 18.4168 18.4242 20.5470 20.5486 k = 0.5000 0.1868 0.3482 ( 688 PWs) bands (ev): -2.0434 -2.0404 1.2839 1.2859 6.7738 6.7806 7.7978 7.8058 15.0108 15.0153 16.3152 16.3291 18.2414 18.2491 20.5317 20.5334 k = 0.5000 0.1925 0.3402 ( 690 PWs) bands (ev): -2.0784 -2.0756 1.2456 1.2475 6.9109 6.9175 7.8638 7.8715 15.0562 15.0608 16.2756 16.2894 18.0719 18.0798 20.5062 20.5080 k = 0.5000 0.1981 0.3322 ( 690 PWs) bands (ev): -2.1116 -2.1090 1.2092 1.2110 7.0464 7.0529 7.9261 7.9333 15.0986 15.1034 16.2423 16.2559 17.9095 17.9175 20.4706 20.4726 k = 0.5000 0.2038 0.3242 ( 690 PWs) bands (ev): -2.1430 -2.1405 1.1748 1.1765 7.1798 7.1860 7.9844 7.9913 15.1360 15.1406 16.2170 16.2302 17.7552 17.7632 20.4254 20.4275 k = 0.5000 0.2094 0.3162 ( 688 PWs) bands (ev): -2.1725 -2.1702 1.1424 1.1441 7.3104 7.3164 8.0389 8.0454 15.1657 15.1701 16.2016 16.2143 17.6099 17.6178 20.3710 20.3732 k = 0.5000 0.2151 0.3082 ( 684 PWs) bands (ev): -2.2001 -2.1979 1.1122 1.1137 7.4375 7.4433 8.0894 8.0955 15.1852 15.1893 16.1981 16.2100 17.4747 17.4824 20.3085 20.3108 k = 0.5000 0.2208 0.3002 ( 686 PWs) bands (ev): -2.2257 -2.2238 1.0841 1.0855 7.5604 7.5660 8.1360 8.1417 15.1928 15.1963 16.2078 16.2186 17.3501 17.3575 20.2388 20.2412 k = 0.5000 0.2264 0.2922 ( 686 PWs) bands (ev): -2.2494 -2.2476 1.0582 1.0595 7.6785 7.6837 8.1788 8.1840 15.1878 15.1905 16.2309 16.2406 17.2366 17.2436 20.1633 20.1658 k = 0.5000 0.2321 0.2842 ( 690 PWs) bands (ev): -2.2711 -2.2695 1.0344 1.0356 7.7907 7.7956 8.2177 8.2225 15.1707 15.1728 16.2663 16.2748 17.1346 17.1411 20.0835 20.0860 k = 0.5000 0.2377 0.2762 ( 690 PWs) bands (ev): -2.2908 -2.2893 1.0128 1.0139 7.8963 7.9008 8.2527 8.2571 15.1437 15.1452 16.3119 16.3192 17.0442 17.0501 20.0011 20.0036 k = 0.5000 0.2434 0.2682 ( 690 PWs) bands (ev): -2.3084 -2.3071 0.9935 0.9945 7.9943 7.9985 8.2840 8.2878 15.1094 15.1103 16.3646 16.3709 16.9651 16.9705 19.9180 19.9205 k = 0.5000 0.2491 0.2602 ( 690 PWs) bands (ev): -2.3240 -2.3229 0.9764 0.9773 8.0839 8.0876 8.3115 8.3149 15.0708 15.0713 16.4215 16.4267 16.8971 16.9018 19.8364 19.8388 k = 0.5000 0.2547 0.2522 ( 690 PWs) bands (ev): -2.3376 -2.3366 0.9616 0.9623 8.1640 8.1672 8.3352 8.3382 15.0308 15.0311 16.4792 16.4836 16.8397 16.8437 19.7585 19.7606 k = 0.5000 0.2604 0.2441 ( 694 PWs) bands (ev): -2.3491 -2.3482 0.9490 0.9496 8.2336 8.2364 8.3554 8.3579 14.9921 14.9922 16.5347 16.5382 16.7924 16.7957 19.6865 19.6885 k = 0.5000 0.2660 0.2361 ( 698 PWs) bands (ev): -2.3585 -2.3578 0.9388 0.9392 8.2919 8.2942 8.3721 8.3740 14.9571 14.9571 16.5850 16.5878 16.7547 16.7573 19.6232 19.6248 k = 0.5000 0.2717 0.2281 ( 700 PWs) bands (ev): -2.3658 -2.3653 0.9308 0.9311 8.3379 8.3396 8.3854 8.3868 14.9277 14.9277 16.6273 16.6294 16.7263 16.7283 19.5707 19.5720 k = 0.5000 0.2774 0.2201 ( 700 PWs) bands (ev): -2.3709 -2.3706 0.9251 0.9253 8.3704 8.3715 8.3960 8.3968 14.9056 14.9056 16.6586 16.6599 16.7076 16.7088 19.5314 19.5323 k = 0.5000 0.2830 0.2121 ( 700 PWs) bands (ev): -2.3740 -2.3739 0.9217 0.9218 8.3880 8.3884 8.4047 8.4048 14.8918 14.8919 16.6749 16.6753 16.7002 16.7005 19.5072 19.5076 k = 0.5000 0.2887 0.2041 ( 700 PWs) bands (ev): -2.3750 -2.3750 0.9206 0.9206 8.3929 8.3929 8.4087 8.4087 14.8872 14.8872 16.6778 16.6778 16.7006 16.7006 19.4991 19.4991 k = 0.5000 0.2887 0.2041 ( 700 PWs) bands (ev): -2.3750 -2.3750 0.9206 0.9206 8.3929 8.3929 8.4087 8.4087 14.8872 14.8872 16.6778 16.6778 16.7006 16.7006 19.4991 19.4991 k = 0.4972 0.2871 0.2132 ( 700 PWs) bands (ev): -2.3741 -2.3739 0.9216 0.9218 8.3883 8.3886 8.4049 8.4049 14.8917 14.8917 16.6751 16.6754 16.7003 16.7004 19.5069 19.5073 k = 0.4944 0.2855 0.2223 ( 700 PWs) bands (ev): -2.3711 -2.3708 0.9249 0.9251 8.3715 8.3722 8.3967 8.3968 14.9049 14.9049 16.6599 16.6605 16.7076 16.7077 19.5303 19.5311 k = 0.4917 0.2839 0.2313 ( 700 PWs) bands (ev): -2.3661 -2.3656 0.9304 0.9307 8.3403 8.3413 8.3868 8.3869 14.9262 14.9263 16.6305 16.6313 16.7255 16.7255 19.5682 19.5694 k = 0.4889 0.2823 0.2404 ( 698 PWs) bands (ev): -2.3591 -2.3584 0.9381 0.9386 8.2959 8.2972 8.3744 8.3745 14.9545 14.9545 16.5911 16.5919 16.7520 16.7521 19.6189 19.6205 k = 0.4861 0.2807 0.2495 ( 690 PWs) bands (ev): -2.3500 -2.3492 0.9480 0.9486 8.2393 8.2409 8.3591 8.3592 14.9880 14.9881 16.5452 16.5460 16.7865 16.7866 19.6804 19.6823 k = 0.4833 0.2791 0.2586 ( 691 PWs) bands (ev): -2.3390 -2.3380 0.9601 0.9608 8.1714 8.1731 8.3408 8.3409 15.0244 15.0247 16.4965 16.4972 16.8285 16.8285 19.7502 19.7524 k = 0.4806 0.2774 0.2676 ( 689 PWs) bands (ev): -2.3259 -2.3248 0.9744 0.9752 8.0928 8.0948 8.3195 8.3196 15.0606 15.0611 16.4493 16.4498 16.8779 16.8779 19.8263 19.8286 k = 0.4778 0.2758 0.2767 ( 689 PWs) bands (ev): -2.3109 -2.3096 0.9908 0.9918 8.0044 8.0067 8.2954 8.2955 15.0927 15.0935 16.4085 16.4087 16.9344 16.9344 19.9063 19.9087 k = 0.4750 0.2742 0.2858 ( 689 PWs) bands (ev): -2.2939 -2.2924 1.0095 1.0105 7.9070 7.9095 8.2686 8.2687 15.1162 15.1175 16.3791 16.3794 16.9978 16.9979 19.9881 19.9906 k = 0.4722 0.2726 0.2948 ( 689 PWs) bands (ev): -2.2749 -2.2733 1.0302 1.0314 7.8014 7.8041 8.2393 8.2394 15.1265 15.1282 16.3663 16.3671 17.0681 17.0681 20.0698 20.0723 k = 0.4694 0.2710 0.3039 ( 691 PWs) bands (ev): -2.2540 -2.2522 1.0531 1.0544 7.6884 7.6913 8.2076 8.2076 15.1198 15.1220 16.3743 16.3757 17.1448 17.1448 20.1495 20.1520 k = 0.4667 0.2694 0.3130 ( 691 PWs) bands (ev): -2.2312 -2.2293 1.0781 1.0795 7.5687 7.5718 8.1737 8.1737 15.0945 15.0971 16.4051 16.4069 17.2279 17.2279 20.2256 20.2280 k = 0.4639 0.2678 0.3221 ( 687 PWs) bands (ev): -2.2064 -2.2043 1.1052 1.1067 7.4431 7.4463 8.1378 8.1379 15.0513 15.0542 16.4580 16.4603 17.3171 17.3171 20.2967 20.2990 k = 0.4611 0.2662 0.3311 ( 687 PWs) bands (ev): -2.1798 -2.1776 1.1344 1.1360 7.3122 7.3156 8.1001 8.1002 14.9926 14.9958 16.5306 16.5331 17.4121 17.4121 20.3614 20.3636 k = 0.4583 0.2646 0.3402 ( 685 PWs) bands (ev): -2.1514 -2.1490 1.1655 1.1673 7.1767 7.1803 8.0608 8.0609 14.9216 14.9250 16.6193 16.6221 17.5127 17.5127 20.4187 20.4207 k = 0.4556 0.2630 0.3493 ( 688 PWs) bands (ev): -2.1212 -2.1186 1.1987 1.2005 7.0373 7.0411 8.0200 8.0201 14.8415 14.8449 16.7210 16.7239 17.6184 17.6184 20.4674 20.4692 k = 0.4528 0.2614 0.3584 ( 688 PWs) bands (ev): -2.0891 -2.0864 1.2338 1.2357 6.8945 6.8984 7.9780 7.9780 14.7547 14.7582 16.8328 16.8357 17.7293 17.7293 20.5071 20.5088 k = 0.4500 0.2598 0.3674 ( 690 PWs) bands (ev): -2.0554 -2.0525 1.2708 1.2728 6.7488 6.7530 7.9349 7.9349 14.6634 14.6668 16.9520 16.9549 17.8448 17.8448 20.5373 20.5388 k = 0.4472 0.2582 0.3765 ( 688 PWs) bands (ev): -2.0199 -2.0168 1.3096 1.3117 6.6009 6.6052 7.8909 7.8909 14.5692 14.5725 17.0765 17.0795 17.9648 17.9649 20.5578 20.5591 k = 0.4444 0.2566 0.3856 ( 688 PWs) bands (ev): -1.9828 -1.9796 1.3502 1.3524 6.4512 6.4557 7.8461 7.8462 14.4731 14.4764 17.2047 17.2075 18.0890 18.0890 20.5686 20.5698 k = 0.4417 0.2550 0.3946 ( 690 PWs) bands (ev): -1.9441 -1.9407 1.3925 1.3947 6.3001 6.3048 7.8008 7.8009 14.3762 14.3794 17.3347 17.3375 18.2170 18.2171 20.5704 20.5715 k = 0.4389 0.2534 0.4037 ( 689 PWs) bands (ev): -1.9039 -1.9003 1.4364 1.4387 6.1482 6.1530 7.7551 7.7552 14.2792 14.2824 17.4651 17.4676 18.3486 18.3486 20.5639 20.5650 k = 0.4361 0.2518 0.4128 ( 689 PWs) bands (ev): -1.8622 -1.8585 1.4819 1.4842 5.9959 6.0009 7.7092 7.7092 14.1826 14.1857 17.5940 17.5963 18.4833 18.4834 20.5503 20.5516 k = 0.4333 0.2502 0.4219 ( 690 PWs) bands (ev): -1.8191 -1.8153 1.5287 1.5311 5.8436 5.8488 7.6631 7.6632 14.0869 14.0899 17.7197 17.7218 18.6210 18.6210 20.5315 20.5330 k = 0.4306 0.2486 0.4309 ( 690 PWs) bands (ev): -1.7748 -1.7708 1.5768 1.5793 5.6918 5.6972 7.6171 7.6171 13.9924 13.9953 17.8401 17.8419 18.7611 18.7611 20.5095 20.5114 k = 0.4278 0.2470 0.4400 ( 690 PWs) bands (ev): -1.7292 -1.7251 1.6261 1.6286 5.5411 5.5466 7.5712 7.5713 13.8994 13.9022 17.9530 17.9544 18.9033 18.9033 20.4871 20.4894 k = 0.4250 0.2454 0.4491 ( 690 PWs) bands (ev): -1.6826 -1.6783 1.6762 1.6787 5.3918 5.3975 7.5257 7.5257 13.8082 13.8108 18.0557 18.0567 19.0472 19.0473 20.4674 20.4702 k = 0.4222 0.2438 0.4581 ( 690 PWs) bands (ev): -1.6350 -1.6305 1.7270 1.7296 5.2444 5.2504 7.4805 7.4805 13.7188 13.7213 18.1453 18.1457 19.1924 19.1925 20.4539 20.4574 k = 0.4194 0.2422 0.4672 ( 692 PWs) bands (ev): -1.5866 -1.5819 1.7783 1.7809 5.0997 5.1059 7.4358 7.4358 13.6314 13.6338 18.2185 18.2187 19.3385 19.3386 20.4503 20.4545 k = 0.4167 0.2406 0.4763 ( 698 PWs) bands (ev): -1.5376 -1.5327 1.8297 1.8322 4.9581 4.9645 7.3918 7.3918 13.5462 13.5485 18.2721 18.2728 19.4848 19.4849 20.4599 20.4649 k = 0.4139 0.2390 0.4854 ( 695 PWs) bands (ev): -1.4880 -1.4830 1.8807 1.8832 4.8205 4.8271 7.3485 7.3485 13.4633 13.4655 18.3046 18.3059 19.6310 19.6311 20.4858 20.4916 k = 0.4111 0.2374 0.4944 ( 693 PWs) bands (ev): -1.4382 -1.4330 1.9310 1.9335 4.6875 4.6944 7.3059 7.3060 13.3828 13.3848 18.3148 18.3165 19.7764 19.7766 20.5295 20.5361 k = 0.4083 0.2358 0.5035 ( 693 PWs) bands (ev): -1.3883 -1.3830 1.9800 1.9823 4.5601 4.5673 7.2643 7.2643 13.3047 13.3066 18.3030 18.3051 19.9205 19.9206 20.5912 20.5984 k = 0.4056 0.2341 0.5126 ( 693 PWs) bands (ev): -1.3386 -1.3332 2.0269 2.0291 4.4394 4.4469 7.2236 7.2237 13.2290 13.2308 18.2707 18.2730 20.0625 20.0627 20.6698 20.6776 k = 0.4028 0.2325 0.5217 ( 695 PWs) bands (ev): -1.2895 -1.2839 2.0710 2.0731 4.3264 4.3343 7.1840 7.1841 13.1559 13.1576 18.2203 18.2227 20.2018 20.2020 20.7632 20.7715 k = 0.4000 0.2309 0.5307 ( 695 PWs) bands (ev): -1.2412 -1.2355 2.1113 2.1132 4.2227 4.2309 7.1455 7.1456 13.0854 13.0869 18.1544 18.1569 20.3378 20.3380 20.8688 20.8776 k = 0.3972 0.2293 0.5398 ( 695 PWs) bands (ev): -1.1942 -1.1883 2.1467 2.1485 4.1296 4.1382 7.1082 7.1083 13.0174 13.0188 18.0759 18.0783 20.4695 20.4697 20.9841 20.9933 k = 0.3944 0.2277 0.5489 ( 695 PWs) bands (ev): -1.1489 -1.1429 2.1762 2.1778 4.0488 4.0578 7.0722 7.0722 12.9521 12.9534 17.9872 17.9894 20.5964 20.5966 21.1062 21.1158 k = 0.3917 0.2261 0.5579 ( 696 PWs) bands (ev): -1.1057 -1.0996 2.1988 2.2001 3.9818 3.9911 7.0374 7.0374 12.8894 12.8905 17.8903 17.8925 20.7176 20.7178 21.2327 21.2428 k = 0.3889 0.2245 0.5670 ( 696 PWs) bands (ev): -1.0653 -1.0591 2.2136 2.2148 3.9300 3.9396 7.0040 7.0041 12.8294 12.8304 17.7873 17.7893 20.8325 20.8328 21.3609 21.3716 k = 0.3861 0.2229 0.5761 ( 696 PWs) bands (ev): -1.0283 -1.0220 2.2205 2.2215 3.8943 3.9041 6.9720 6.9721 12.7721 12.7729 17.6795 17.6813 20.9405 20.9407 21.4881 21.4994 k = 0.3833 0.2213 0.5852 ( 692 PWs) bands (ev): -0.9953 -0.9890 2.2196 2.2205 3.8750 3.8851 6.9415 6.9415 12.7175 12.7182 17.5682 17.5699 21.0412 21.0414 21.6107 21.6228 k = 0.3806 0.2197 0.5942 ( 694 PWs) bands (ev): -0.9671 -0.9607 2.2121 2.2129 3.8719 3.8822 6.9125 6.9125 12.6655 12.6661 17.4545 17.4560 21.1338 21.1340 21.7237 21.7368 k = 0.3778 0.2181 0.6033 ( 694 PWs) bands (ev): -0.9443 -0.9379 2.1995 2.2003 3.8841 3.8944 6.8850 6.8850 12.6163 12.6167 17.3392 17.3405 21.2182 21.2184 21.8204 21.8347 k = 0.3750 0.2165 0.6124 ( 694 PWs) bands (ev): -0.9278 -0.9215 2.1841 2.1849 3.9101 3.9205 6.8590 6.8591 12.5697 12.5700 17.2231 17.2242 21.2944 21.2946 21.8925 21.9079 k = 0.6250-0.0722 0.4082 ( 694 PWs) bands (ev): -0.9278 -0.9215 2.1841 2.1849 3.9101 3.9205 6.8590 6.8591 12.5697 12.5700 17.2231 17.2242 21.2944 21.2946 21.8925 21.9079 k = 0.6202-0.0805 0.4082 ( 694 PWs) bands (ev): -0.9073 -0.9010 2.1559 2.1566 3.9712 3.9817 6.8162 6.8163 12.4918 12.4918 17.0202 17.0212 21.4190 21.4192 21.9913 22.0080 k = 0.6154-0.0888 0.4082 ( 694 PWs) bands (ev): -0.8908 -0.8847 2.1270 2.1276 4.0420 4.0524 6.7748 6.7748 12.4143 12.4145 16.8154 16.8161 21.5431 21.5433 22.0882 22.1060 k = 0.6106-0.0972 0.4082 ( 688 PWs) bands (ev): -0.8780 -0.8720 2.0975 2.0981 4.1218 4.1322 6.7348 6.7348 12.3372 12.3378 16.6101 16.6106 21.6664 21.6667 22.1831 22.2018 k = 0.6058-0.1055 0.4082 ( 688 PWs) bands (ev): -0.8685 -0.8627 2.0677 2.0682 4.2097 4.2200 6.6962 6.6963 12.2605 12.2613 16.4053 16.4056 21.7887 21.7890 22.2758 22.2952 k = 0.6010-0.1138 0.4082 ( 688 PWs) bands (ev): -0.8620 -0.8564 2.0377 2.0382 4.3050 4.3152 6.6592 6.6592 12.1839 12.1850 16.2024 16.2026 21.9097 21.9100 22.3664 22.3861 k = 0.5962-0.1221 0.4082 ( 696 PWs) bands (ev): -0.8581 -0.8527 2.0078 2.0083 4.4068 4.4169 6.6236 6.6237 12.1072 12.1086 16.0023 16.0024 22.0289 22.0292 22.4545 22.4744 k = 0.5913-0.1305 0.4082 ( 696 PWs) bands (ev): -0.8564 -0.8512 1.9782 1.9787 4.5143 4.5242 6.5896 6.5897 12.0304 12.0320 15.8063 15.8063 22.1462 22.1465 22.5404 22.5601 k = 0.5865-0.1388 0.4082 ( 696 PWs) bands (ev): -0.8565 -0.8516 1.9492 1.9497 4.6265 4.6362 6.5573 6.5573 11.9532 11.9551 15.6152 15.6152 22.2611 22.2614 22.6237 22.6431 k = 0.5817-0.1471 0.4082 ( 696 PWs) bands (ev): -0.8582 -0.8535 1.9209 1.9213 4.7426 4.7521 6.5265 6.5265 11.8756 11.8778 15.4300 15.4300 22.3734 22.3737 22.7044 22.7233 k = 0.5769-0.1554 0.4082 ( 700 PWs) bands (ev): -0.8612 -0.8567 1.8934 1.8939 4.8617 4.8709 6.4973 6.4973 11.7973 11.7998 15.2515 15.2515 22.4824 22.4827 22.7822 22.8004 k = 0.5721-0.1638 0.4082 ( 700 PWs) bands (ev): -0.8651 -0.8609 1.8670 1.8675 4.9829 4.9918 6.4698 6.4698 11.7184 11.7211 15.0806 15.0806 22.5880 22.5883 22.8570 22.8744 k = 0.5673-0.1721 0.4082 ( 700 PWs) bands (ev): -0.8698 -0.8659 1.8419 1.8422 5.1051 5.1138 6.4440 6.4440 11.6389 11.6418 14.9181 14.9182 22.6896 22.6900 22.9287 22.9452 k = 0.5625-0.1804 0.4082 ( 700 PWs) bands (ev): -0.8750 -0.8714 1.8180 1.8183 5.2275 5.2359 6.4199 6.4199 11.5589 11.5620 14.7648 14.7649 22.7869 22.7873 22.9968 23.0124 k = 0.5577-0.1887 0.4082 ( 696 PWs) bands (ev): -0.8806 -0.8772 1.7955 1.7959 5.3490 5.3570 6.3975 6.3975 11.4787 11.4819 14.6214 14.6215 22.8793 22.8798 23.0614 23.0758 k = 0.5529-0.1971 0.4082 ( 698 PWs) bands (ev): -0.8863 -0.8832 1.7746 1.7749 5.4684 5.4760 6.3768 6.3769 11.3986 11.4019 14.4883 14.4885 22.9665 22.9670 23.1220 23.1353 k = 0.5481-0.2054 0.4082 ( 694 PWs) bands (ev): -0.8919 -0.8891 1.7552 1.7555 5.5847 5.5919 6.3579 6.3579 11.3194 11.3227 14.3662 14.3664 23.0480 23.0486 23.1785 23.1907 k = 0.5433-0.2137 0.4082 ( 694 PWs) bands (ev): -0.8974 -0.8948 1.7375 1.7378 5.6965 5.7032 6.3407 6.3408 11.2417 11.2450 14.2553 14.2556 23.1234 23.1240 23.2306 23.2416 k = 0.5385-0.2221 0.4082 ( 698 PWs) bands (ev): -0.9026 -0.9004 1.7215 1.7218 5.8024 5.8087 6.3253 6.3254 11.1666 11.1698 14.1560 14.1563 23.1921 23.1928 23.2780 23.2877 k = 0.5337-0.2304 0.4082 ( 690 PWs) bands (ev): -0.9074 -0.9054 1.7073 1.7075 5.9012 5.9068 6.3117 6.3119 11.0953 11.0984 14.0685 14.0688 23.2538 23.2546 23.3210 23.3293 k = 0.5288-0.2387 0.4082 ( 692 PWs) bands (ev): -0.9118 -0.9101 1.6949 1.6951 5.9911 5.9961 6.3000 6.3001 11.0292 11.0321 13.9927 13.9931 23.3080 23.3090 23.3587 23.3656 k = 0.5240-0.2470 0.4082 ( 692 PWs) bands (ev): -0.9155 -0.9141 1.6844 1.6845 6.0708 6.0751 6.2900 6.2901 10.9697 10.9723 13.9289 13.9292 23.3543 23.3555 23.3913 23.3967 k = 0.5192-0.2554 0.4082 ( 692 PWs) bands (ev): -0.9187 -0.9175 1.6757 1.6758 6.1385 6.1422 6.2819 6.2821 10.9184 10.9206 13.8768 13.8770 23.3922 23.3937 23.4188 23.4226 k = 0.5144-0.2637 0.4082 ( 692 PWs) bands (ev): -0.9211 -0.9203 1.6690 1.6691 6.1930 6.1959 6.2757 6.2759 10.8768 10.8785 13.8364 13.8366 23.4213 23.4232 23.4412 23.4433 k = 0.5096-0.2720 0.4082 ( 692 PWs) bands (ev): -0.9229 -0.9223 1.6641 1.6642 6.2326 6.2347 6.2716 6.2719 10.8460 10.8472 13.8076 13.8078 23.4416 23.4434 23.4581 23.4590 k = 0.5048-0.2803 0.4082 ( 692 PWs) bands (ev): -0.9239 -0.9236 1.6612 1.6613 6.2552 6.2563 6.2711 6.2713 10.8273 10.8279 13.7904 13.7905 23.4535 23.4546 23.4689 23.4691 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -0.9241 -0.9241 1.6603 1.6603 6.2608 6.2608 6.2733 6.2733 10.8212 10.8212 13.7847 13.7847 23.4578 23.4578 23.4727 23.4727 Writing output data file SiC.save init_run : 2.26s CPU 11.81s WALL ( 1 calls) electrons : 72.49s CPU 76.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.20s WALL ( 1 calls) potinit : 0.35s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 72.37s CPU 76.09s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.87s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.20s CPU 0.47s WALL ( 1 calls) newd : 0.13s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 479 calls) cegterg : 50.35s CPU 51.15s WALL ( 521 calls) Called by sum_band: Called by *egterg: h_psi : 28.60s CPU 31.72s WALL ( 8582 calls) s_psi : 0.27s CPU 0.82s WALL ( 8582 calls) g_psi : 0.02s CPU 0.12s WALL ( 7582 calls) cdiaghg : 13.21s CPU 13.18s WALL ( 8061 calls) cegterg:over : 3.94s CPU 3.38s WALL ( 7582 calls) cegterg:upda : 0.15s CPU 0.28s WALL ( 7582 calls) cegterg:last : 0.03s CPU 0.22s WALL ( 1933 calls) Called by h_psi: h_psi:vloc : 24.20s CPU 28.42s WALL ( 8582 calls) h_psi:vnl : 4.39s CPU 3.26s WALL ( 8582 calls) add_vuspsi : 0.17s CPU 0.55s WALL ( 8582 calls) General routines calbec : 4.21s CPU 2.64s WALL ( 8582 calls) fft : 0.32s CPU 1.17s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 23.39s CPU 27.09s WALL ( 385372 calls) interpolate : 0.03s CPU 0.10s WALL ( 4 calls) davcio : 0.01s CPU 0.70s WALL ( 958 calls) Parallel routines fft_scatter : 16.83s CPU 19.68s WALL ( 385395 calls) PWSCF : 1m36.16s CPU 3m 0.34s WALL This run was terminated on: 8:24:24 26Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=