Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:44: 2 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgO.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 15 4 484 228 38 Max 26 16 5 486 239 43 Sum 889 547 163 17453 8363 1459 bravais-lattice index = 14 lattice parameter (alat) = 5.7712 a.u. unit-cell volume = 135.9209 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.771212 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 O 6.00 15.99940 O( 1.00) Mg 10.00 24.30500 Mg( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 481 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 2) = ( 0.0068493 -0.0039545 0.0055924), wk = 0.0020790 k( 3) = ( 0.0136986 -0.0079089 0.0111849), wk = 0.0020790 k( 4) = ( 0.0205479 -0.0118634 0.0167773), wk = 0.0020790 k( 5) = ( 0.0273973 -0.0158178 0.0223698), wk = 0.0020790 k( 6) = ( 0.0342466 -0.0197723 0.0279622), wk = 0.0020790 k( 7) = ( 0.0410959 -0.0237267 0.0335547), wk = 0.0020790 k( 8) = ( 0.0479452 -0.0276812 0.0391471), wk = 0.0020790 k( 9) = ( 0.0547945 -0.0316356 0.0447395), wk = 0.0020790 k( 10) = ( 0.0616438 -0.0355901 0.0503320), wk = 0.0020790 k( 11) = ( 0.0684932 -0.0395445 0.0559244), wk = 0.0020790 k( 12) = ( 0.0753425 -0.0434990 0.0615169), wk = 0.0020790 k( 13) = ( 0.0821918 -0.0474534 0.0671093), wk = 0.0020790 k( 14) = ( 0.0890411 -0.0514079 0.0727018), wk = 0.0020790 k( 15) = ( 0.0958904 -0.0553624 0.0782942), wk = 0.0020790 k( 16) = ( 0.1027397 -0.0593168 0.0838866), wk = 0.0020790 k( 17) = ( 0.1095890 -0.0632713 0.0894791), wk = 0.0020790 k( 18) = ( 0.1164384 -0.0672257 0.0950715), wk = 0.0020790 k( 19) = ( 0.1232877 -0.0711802 0.1006640), wk = 0.0020790 k( 20) = ( 0.1301370 -0.0751346 0.1062564), wk = 0.0020790 k( 21) = ( 0.1369863 -0.0790891 0.1118488), wk = 0.0020790 k( 22) = ( 0.1438356 -0.0830435 0.1174413), wk = 0.0020790 k( 23) = ( 0.1506849 -0.0869980 0.1230337), wk = 0.0020790 k( 24) = ( 0.1575342 -0.0909524 0.1286262), wk = 0.0020790 k( 25) = ( 0.1643836 -0.0949069 0.1342186), wk = 0.0020790 k( 26) = ( 0.1712329 -0.0988613 0.1398111), wk = 0.0020790 k( 27) = ( 0.1780822 -0.1028158 0.1454035), wk = 0.0020790 k( 28) = ( 0.1849315 -0.1067703 0.1509959), wk = 0.0020790 k( 29) = ( 0.1917808 -0.1107247 0.1565884), wk = 0.0020790 k( 30) = ( 0.1986301 -0.1146792 0.1621808), wk = 0.0020790 k( 31) = ( 0.2054795 -0.1186336 0.1677733), wk = 0.0020790 k( 32) = ( 0.2123288 -0.1225881 0.1733657), wk = 0.0020790 k( 33) = ( 0.2191781 -0.1265425 0.1789582), wk = 0.0020790 k( 34) = ( 0.2260274 -0.1304970 0.1845506), wk = 0.0020790 k( 35) = ( 0.2328767 -0.1344514 0.1901430), wk = 0.0020790 k( 36) = ( 0.2397260 -0.1384059 0.1957355), wk = 0.0020790 k( 37) = ( 0.2465753 -0.1423603 0.2013279), wk = 0.0020790 k( 38) = ( 0.2534247 -0.1463148 0.2069204), wk = 0.0020790 k( 39) = ( 0.2602740 -0.1502692 0.2125128), wk = 0.0020790 k( 40) = ( 0.2671233 -0.1542237 0.2181053), wk = 0.0020790 k( 41) = ( 0.2739726 -0.1581782 0.2236977), wk = 0.0020790 k( 42) = ( 0.2808219 -0.1621326 0.2292901), wk = 0.0020790 k( 43) = ( 0.2876712 -0.1660871 0.2348826), wk = 0.0020790 k( 44) = ( 0.2945205 -0.1700415 0.2404750), wk = 0.0020790 k( 45) = ( 0.3013699 -0.1739960 0.2460675), wk = 0.0020790 k( 46) = ( 0.3082192 -0.1779504 0.2516599), wk = 0.0020790 k( 47) = ( 0.3150685 -0.1819049 0.2572523), wk = 0.0020790 k( 48) = ( 0.3219178 -0.1858593 0.2628448), wk = 0.0020790 k( 49) = ( 0.3287671 -0.1898138 0.2684372), wk = 0.0020790 k( 50) = ( 0.3356164 -0.1937682 0.2740297), wk = 0.0020790 k( 51) = ( 0.3424658 -0.1977227 0.2796221), wk = 0.0020790 k( 52) = ( 0.3493151 -0.2016771 0.2852146), wk = 0.0020790 k( 53) = ( 0.3561644 -0.2056316 0.2908070), wk = 0.0020790 k( 54) = ( 0.3630137 -0.2095861 0.2963994), wk = 0.0020790 k( 55) = ( 0.3698630 -0.2135405 0.3019919), wk = 0.0020790 k( 56) = ( 0.3767123 -0.2174950 0.3075843), wk = 0.0020790 k( 57) = ( 0.3835616 -0.2214494 0.3131768), wk = 0.0020790 k( 58) = ( 0.3904110 -0.2254039 0.3187692), wk = 0.0020790 k( 59) = ( 0.3972603 -0.2293583 0.3243617), wk = 0.0020790 k( 60) = ( 0.4041096 -0.2333128 0.3299541), wk = 0.0020790 k( 61) = ( 0.4109589 -0.2372672 0.3355465), wk = 0.0020790 k( 62) = ( 0.4178082 -0.2412217 0.3411390), wk = 0.0020790 k( 63) = ( 0.4246575 -0.2451761 0.3467314), wk = 0.0020790 k( 64) = ( 0.4315068 -0.2491306 0.3523239), wk = 0.0020790 k( 65) = ( 0.4383562 -0.2530850 0.3579163), wk = 0.0020790 k( 66) = ( 0.4452055 -0.2570395 0.3635088), wk = 0.0020790 k( 67) = ( 0.4520548 -0.2609940 0.3691012), wk = 0.0020790 k( 68) = ( 0.4589041 -0.2649484 0.3746936), wk = 0.0020790 k( 69) = ( 0.4657534 -0.2689029 0.3802861), wk = 0.0020790 k( 70) = ( 0.4726027 -0.2728573 0.3858785), wk = 0.0020790 k( 71) = ( 0.4794521 -0.2768118 0.3914710), wk = 0.0020790 k( 72) = ( 0.4863014 -0.2807662 0.3970634), wk = 0.0020790 k( 73) = ( 0.4931507 -0.2847207 0.4026558), wk = 0.0020790 k( 74) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020790 k( 75) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020790 k( 76) = ( 0.5000000 -0.2808731 0.4137652), wk = 0.0020790 k( 77) = ( 0.5000000 -0.2730711 0.4192820), wk = 0.0020790 k( 78) = ( 0.5000000 -0.2652690 0.4247989), wk = 0.0020790 k( 79) = ( 0.5000000 -0.2574670 0.4303158), wk = 0.0020790 k( 80) = ( 0.5000000 -0.2496650 0.4358326), wk = 0.0020790 k( 81) = ( 0.5000000 -0.2418630 0.4413495), wk = 0.0020790 k( 82) = ( 0.5000000 -0.2340609 0.4468664), wk = 0.0020790 k( 83) = ( 0.5000000 -0.2262589 0.4523832), wk = 0.0020790 k( 84) = ( 0.5000000 -0.2184569 0.4579001), wk = 0.0020790 k( 85) = ( 0.5000000 -0.2106548 0.4634170), wk = 0.0020790 k( 86) = ( 0.5000000 -0.2028528 0.4689338), wk = 0.0020790 k( 87) = ( 0.5000000 -0.1950508 0.4744507), wk = 0.0020790 k( 88) = ( 0.5000000 -0.1872487 0.4799676), wk = 0.0020790 k( 89) = ( 0.5000000 -0.1794467 0.4854844), wk = 0.0020790 k( 90) = ( 0.5000000 -0.1716447 0.4910013), wk = 0.0020790 k( 91) = ( 0.5000000 -0.1638426 0.4965182), wk = 0.0020790 k( 92) = ( 0.5000000 -0.1560406 0.5020351), wk = 0.0020790 k( 93) = ( 0.5000000 -0.1482386 0.5075519), wk = 0.0020790 k( 94) = ( 0.5000000 -0.1404366 0.5130688), wk = 0.0020790 k( 95) = ( 0.5000000 -0.1326345 0.5185857), wk = 0.0020790 k( 96) = ( 0.5000000 -0.1248325 0.5241025), wk = 0.0020790 k( 97) = ( 0.5000000 -0.1170305 0.5296194), wk = 0.0020790 k( 98) = ( 0.5000000 -0.1092284 0.5351363), wk = 0.0020790 k( 99) = ( 0.5000000 -0.1014264 0.5406531), wk = 0.0020790 k( 100) = ( 0.5000000 -0.0936244 0.5461700), wk = 0.0020790 k( 101) = ( 0.5000000 -0.0858223 0.5516869), wk = 0.0020790 k( 102) = ( 0.5000000 -0.0780203 0.5572037), wk = 0.0020790 k( 103) = ( 0.5000000 -0.0702183 0.5627206), wk = 0.0020790 k( 104) = ( 0.5000000 -0.0624162 0.5682375), wk = 0.0020790 k( 105) = ( 0.5000000 -0.0546142 0.5737544), wk = 0.0020790 k( 106) = ( 0.5000000 -0.0468122 0.5792712), wk = 0.0020790 k( 107) = ( 0.5000000 -0.0390101 0.5847881), wk = 0.0020790 k( 108) = ( 0.5000000 -0.0312081 0.5903050), wk = 0.0020790 k( 109) = ( 0.5000000 -0.0234061 0.5958218), wk = 0.0020790 k( 110) = ( 0.5000000 -0.0156041 0.6013387), wk = 0.0020790 k( 111) = ( 0.5000000 -0.0078020 0.6068556), wk = 0.0020790 k( 112) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020790 k( 113) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020790 k( 114) = ( 0.4951923 0.0083272 0.6123724), wk = 0.0020790 k( 115) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0020790 k( 116) = ( 0.4855769 0.0249815 0.6123724), wk = 0.0020790 k( 117) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0020790 k( 118) = ( 0.4759615 0.0416358 0.6123724), wk = 0.0020790 k( 119) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0020790 k( 120) = ( 0.4663462 0.0582902 0.6123724), wk = 0.0020790 k( 121) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0020790 k( 122) = ( 0.4567308 0.0749445 0.6123724), wk = 0.0020790 k( 123) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0020790 k( 124) = ( 0.4471154 0.0915988 0.6123724), wk = 0.0020790 k( 125) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0020790 k( 126) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0020790 k( 127) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0020790 k( 128) = ( 0.4278846 0.1249075 0.6123724), wk = 0.0020790 k( 129) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0020790 k( 130) = ( 0.4182692 0.1415618 0.6123724), wk = 0.0020790 k( 131) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0020790 k( 132) = ( 0.4086538 0.1582162 0.6123724), wk = 0.0020790 k( 133) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0020790 k( 134) = ( 0.3990385 0.1748705 0.6123724), wk = 0.0020790 k( 135) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0020790 k( 136) = ( 0.3894231 0.1915248 0.6123724), wk = 0.0020790 k( 137) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0020790 k( 138) = ( 0.3798077 0.2081792 0.6123724), wk = 0.0020790 k( 139) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020790 k( 140) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020790 k( 141) = ( 0.3701923 0.2137306 0.6045215), wk = 0.0020790 k( 142) = ( 0.3653846 0.2109549 0.5966706), wk = 0.0020790 k( 143) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0020790 k( 144) = ( 0.3557692 0.2054035 0.5809687), wk = 0.0020790 k( 145) = ( 0.3509615 0.2026277 0.5731178), wk = 0.0020790 k( 146) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0020790 k( 147) = ( 0.3413462 0.1970763 0.5574159), wk = 0.0020790 k( 148) = ( 0.3365385 0.1943006 0.5495650), wk = 0.0020790 k( 149) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0020790 k( 150) = ( 0.3269231 0.1887491 0.5338631), wk = 0.0020790 k( 151) = ( 0.3221154 0.1859734 0.5260122), wk = 0.0020790 k( 152) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0020790 k( 153) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0020790 k( 154) = ( 0.3076923 0.1776462 0.5024594), wk = 0.0020790 k( 155) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0020790 k( 156) = ( 0.2980769 0.1720948 0.4867576), wk = 0.0020790 k( 157) = ( 0.2932692 0.1693191 0.4789066), wk = 0.0020790 k( 158) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0020790 k( 159) = ( 0.2836538 0.1637676 0.4632048), wk = 0.0020790 k( 160) = ( 0.2788462 0.1609919 0.4553539), wk = 0.0020790 k( 161) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0020790 k( 162) = ( 0.2692308 0.1554405 0.4396520), wk = 0.0020790 k( 163) = ( 0.2644231 0.1526647 0.4318011), wk = 0.0020790 k( 164) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0020790 k( 165) = ( 0.2548077 0.1471133 0.4160992), wk = 0.0020790 k( 166) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0020790 k( 167) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0020790 k( 168) = ( 0.2403846 0.1387861 0.3925464), wk = 0.0020790 k( 169) = ( 0.2355769 0.1360104 0.3846955), wk = 0.0020790 k( 170) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0020790 k( 171) = ( 0.2259615 0.1304590 0.3689936), wk = 0.0020790 k( 172) = ( 0.2211539 0.1276832 0.3611427), wk = 0.0020790 k( 173) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0020790 k( 174) = ( 0.2115385 0.1221318 0.3454409), wk = 0.0020790 k( 175) = ( 0.2067308 0.1193561 0.3375899), wk = 0.0020790 k( 176) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0020790 k( 177) = ( 0.1971154 0.1138046 0.3218881), wk = 0.0020790 k( 178) = ( 0.1923077 0.1110289 0.3140371), wk = 0.0020790 k( 179) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0020790 k( 180) = ( 0.1826923 0.1054775 0.2983353), wk = 0.0020790 k( 181) = ( 0.1778846 0.1027017 0.2904844), wk = 0.0020790 k( 182) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0020790 k( 183) = ( 0.1682692 0.0971503 0.2747825), wk = 0.0020790 k( 184) = ( 0.1634615 0.0943746 0.2669316), wk = 0.0020790 k( 185) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0020790 k( 186) = ( 0.1538461 0.0888231 0.2512297), wk = 0.0020790 k( 187) = ( 0.1490385 0.0860474 0.2433788), wk = 0.0020790 k( 188) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0020790 k( 189) = ( 0.1394231 0.0804960 0.2276769), wk = 0.0020790 k( 190) = ( 0.1346154 0.0777202 0.2198260), wk = 0.0020790 k( 191) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0020790 k( 192) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0020790 k( 193) = ( 0.1201923 0.0693931 0.1962732), wk = 0.0020790 k( 194) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0020790 k( 195) = ( 0.1105769 0.0638416 0.1805714), wk = 0.0020790 k( 196) = ( 0.1057692 0.0610659 0.1727204), wk = 0.0020790 k( 197) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0020790 k( 198) = ( 0.0961538 0.0555145 0.1570186), wk = 0.0020790 k( 199) = ( 0.0913462 0.0527387 0.1491677), wk = 0.0020790 k( 200) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0020790 k( 201) = ( 0.0817308 0.0471873 0.1334658), wk = 0.0020790 k( 202) = ( 0.0769231 0.0444116 0.1256149), wk = 0.0020790 k( 203) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0020790 k( 204) = ( 0.0673077 0.0388601 0.1099130), wk = 0.0020790 k( 205) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0020790 k( 206) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0020790 k( 207) = ( 0.0528846 0.0305329 0.0863602), wk = 0.0020790 k( 208) = ( 0.0480769 0.0277572 0.0785093), wk = 0.0020790 k( 209) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0020790 k( 210) = ( 0.0384615 0.0222058 0.0628074), wk = 0.0020790 k( 211) = ( 0.0336538 0.0194301 0.0549565), wk = 0.0020790 k( 212) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0020790 k( 213) = ( 0.0240385 0.0138786 0.0392546), wk = 0.0020790 k( 214) = ( 0.0192308 0.0111029 0.0314037), wk = 0.0020790 k( 215) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0020790 k( 216) = ( 0.0096154 0.0055514 0.0157019), wk = 0.0020790 k( 217) = ( 0.0048077 0.0027757 0.0078509), wk = 0.0020790 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 220) = ( 0.0079365 0.0045821 0.0032401), wk = 0.0020790 k( 221) = ( 0.0158730 0.0091643 0.0064801), wk = 0.0020790 k( 222) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0020790 k( 223) = ( 0.0317460 0.0183286 0.0129603), wk = 0.0020790 k( 224) = ( 0.0396825 0.0229107 0.0162003), wk = 0.0020790 k( 225) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0020790 k( 226) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0020790 k( 227) = ( 0.0634921 0.0366572 0.0259205), wk = 0.0020790 k( 228) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0020790 k( 229) = ( 0.0793651 0.0458215 0.0324007), wk = 0.0020790 k( 230) = ( 0.0873016 0.0504036 0.0356407), wk = 0.0020790 k( 231) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0020790 k( 232) = ( 0.1031746 0.0595679 0.0421209), wk = 0.0020790 k( 233) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0020790 k( 234) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0020790 k( 235) = ( 0.1269841 0.0733143 0.0518411), wk = 0.0020790 k( 236) = ( 0.1349206 0.0778965 0.0550811), wk = 0.0020790 k( 237) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0020790 k( 238) = ( 0.1507937 0.0870608 0.0615612), wk = 0.0020790 k( 239) = ( 0.1587302 0.0916429 0.0648013), wk = 0.0020790 k( 240) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0020790 k( 241) = ( 0.1746032 0.1008072 0.0712814), wk = 0.0020790 k( 242) = ( 0.1825397 0.1053893 0.0745215), wk = 0.0020790 k( 243) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0020790 k( 244) = ( 0.1984127 0.1145536 0.0810016), wk = 0.0020790 k( 245) = ( 0.2063492 0.1191358 0.0842417), wk = 0.0020790 k( 246) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0020790 k( 247) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0020790 k( 248) = ( 0.2301587 0.1328822 0.0939619), wk = 0.0020790 k( 249) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0020790 k( 250) = ( 0.2460317 0.1420465 0.1004420), wk = 0.0020790 k( 251) = ( 0.2539683 0.1466286 0.1036821), wk = 0.0020790 k( 252) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0020790 k( 253) = ( 0.2698413 0.1557929 0.1101622), wk = 0.0020790 k( 254) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0020790 k( 255) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0020790 k( 256) = ( 0.2936508 0.1695394 0.1198824), wk = 0.0020790 k( 257) = ( 0.3015873 0.1741215 0.1231225), wk = 0.0020790 k( 258) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0020790 k( 259) = ( 0.3174603 0.1832858 0.1296026), wk = 0.0020790 k( 260) = ( 0.3253968 0.1878679 0.1328427), wk = 0.0020790 k( 261) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0020790 k( 262) = ( 0.3412698 0.1970322 0.1393228), wk = 0.0020790 k( 263) = ( 0.3492063 0.2016144 0.1425629), wk = 0.0020790 k( 264) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0020790 k( 265) = ( 0.3650794 0.2107787 0.1490430), wk = 0.0020790 k( 266) = ( 0.3730159 0.2153608 0.1522831), wk = 0.0020790 k( 267) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0020790 k( 268) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0020790 k( 269) = ( 0.3968254 0.2291073 0.1620033), wk = 0.0020790 k( 270) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0020790 k( 271) = ( 0.4126984 0.2382715 0.1684834), wk = 0.0020790 k( 272) = ( 0.4206349 0.2428537 0.1717235), wk = 0.0020790 k( 273) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0020790 k( 274) = ( 0.4365079 0.2520180 0.1782036), wk = 0.0020790 k( 275) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0020790 k( 276) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0020790 k( 277) = ( 0.4603175 0.2657644 0.1879238), wk = 0.0020790 k( 278) = ( 0.4682540 0.2703466 0.1911639), wk = 0.0020790 k( 279) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0020790 k( 280) = ( 0.4841270 0.2795108 0.1976440), wk = 0.0020790 k( 281) = ( 0.4920635 0.2840930 0.2008841), wk = 0.0020790 k( 282) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020790 k( 283) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020790 k( 284) = ( 0.5027778 0.2806564 0.2086602), wk = 0.0020790 k( 285) = ( 0.5055556 0.2726376 0.2131963), wk = 0.0020790 k( 286) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0020790 k( 287) = ( 0.5111111 0.2566001 0.2222685), wk = 0.0020790 k( 288) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0020790 k( 289) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0020790 k( 290) = ( 0.5194444 0.2325439 0.2358768), wk = 0.0020790 k( 291) = ( 0.5222222 0.2245251 0.2404129), wk = 0.0020790 k( 292) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0020790 k( 293) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0020790 k( 294) = ( 0.5305556 0.2004688 0.2540212), wk = 0.0020790 k( 295) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0020790 k( 296) = ( 0.5361111 0.1844313 0.2630933), wk = 0.0020790 k( 297) = ( 0.5388889 0.1764126 0.2676294), wk = 0.0020790 k( 298) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0020790 k( 299) = ( 0.5444444 0.1603751 0.2767016), wk = 0.0020790 k( 300) = ( 0.5472222 0.1523563 0.2812377), wk = 0.0020790 k( 301) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0020790 k( 302) = ( 0.5527778 0.1363188 0.2903099), wk = 0.0020790 k( 303) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0020790 k( 304) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0020790 k( 305) = ( 0.5611111 0.1122626 0.3039182), wk = 0.0020790 k( 306) = ( 0.5638889 0.1042438 0.3084543), wk = 0.0020790 k( 307) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0020790 k( 308) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0020790 k( 309) = ( 0.5722222 0.0801875 0.3220625), wk = 0.0020790 k( 310) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0020790 k( 311) = ( 0.5777778 0.0641500 0.3311347), wk = 0.0020790 k( 312) = ( 0.5805556 0.0561313 0.3356708), wk = 0.0020790 k( 313) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0020790 k( 314) = ( 0.5861111 0.0400938 0.3447430), wk = 0.0020790 k( 315) = ( 0.5888889 0.0320750 0.3492791), wk = 0.0020790 k( 316) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0020790 k( 317) = ( 0.5944444 0.0160375 0.3583513), wk = 0.0020790 k( 318) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0020790 k( 319) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0020790 k( 320) = ( 0.6027778 -0.0080188 0.3719596), wk = 0.0020790 k( 321) = ( 0.6055556 -0.0160375 0.3764956), wk = 0.0020790 k( 322) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0020790 k( 323) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0020790 k( 324) = ( 0.6138889 -0.0400938 0.3901039), wk = 0.0020790 k( 325) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0020790 k( 326) = ( 0.6194444 -0.0561313 0.3991761), wk = 0.0020790 k( 327) = ( 0.6222222 -0.0641500 0.4037122), wk = 0.0020790 k( 328) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020790 k( 329) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020790 k( 330) = ( 0.6201923 -0.0693931 0.4160992), wk = 0.0020790 k( 331) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0020790 k( 332) = ( 0.6105769 -0.0638416 0.4318011), wk = 0.0020790 k( 333) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0020790 k( 334) = ( 0.6009615 -0.0582902 0.4475029), wk = 0.0020790 k( 335) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0020790 k( 336) = ( 0.5913462 -0.0527387 0.4632048), wk = 0.0020790 k( 337) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0020790 k( 338) = ( 0.5817308 -0.0471873 0.4789066), wk = 0.0020790 k( 339) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0020790 k( 340) = ( 0.5721154 -0.0416358 0.4946085), wk = 0.0020790 k( 341) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0020790 k( 342) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0020790 k( 343) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0020790 k( 344) = ( 0.5528846 -0.0305329 0.5260122), wk = 0.0020790 k( 345) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0020790 k( 346) = ( 0.5432692 -0.0249815 0.5417141), wk = 0.0020790 k( 347) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0020790 k( 348) = ( 0.5336538 -0.0194301 0.5574159), wk = 0.0020790 k( 349) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0020790 k( 350) = ( 0.5240385 -0.0138786 0.5731178), wk = 0.0020790 k( 351) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0020790 k( 352) = ( 0.5144231 -0.0083272 0.5888196), wk = 0.0020790 k( 353) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0020790 k( 354) = ( 0.5048077 -0.0027757 0.6045215), wk = 0.0020790 k( 355) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020790 k( 356) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020790 k( 357) = ( 0.5000000 0.0055514 0.6045215), wk = 0.0020790 k( 358) = ( 0.5000000 0.0111029 0.5966706), wk = 0.0020790 k( 359) = ( 0.5000000 0.0166543 0.5888196), wk = 0.0020790 k( 360) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0020790 k( 361) = ( 0.5000000 0.0277572 0.5731178), wk = 0.0020790 k( 362) = ( 0.5000000 0.0333087 0.5652669), wk = 0.0020790 k( 363) = ( 0.5000000 0.0388601 0.5574159), wk = 0.0020790 k( 364) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0020790 k( 365) = ( 0.5000000 0.0499630 0.5417141), wk = 0.0020790 k( 366) = ( 0.5000000 0.0555144 0.5338632), wk = 0.0020790 k( 367) = ( 0.5000000 0.0610659 0.5260122), wk = 0.0020790 k( 368) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0020790 k( 369) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0020790 k( 370) = ( 0.5000000 0.0777202 0.5024594), wk = 0.0020790 k( 371) = ( 0.5000000 0.0832717 0.4946085), wk = 0.0020790 k( 372) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0020790 k( 373) = ( 0.5000000 0.0943746 0.4789066), wk = 0.0020790 k( 374) = ( 0.5000000 0.0999260 0.4710557), wk = 0.0020790 k( 375) = ( 0.5000000 0.1054774 0.4632048), wk = 0.0020790 k( 376) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0020790 k( 377) = ( 0.5000000 0.1165803 0.4475029), wk = 0.0020790 k( 378) = ( 0.5000000 0.1221318 0.4396520), wk = 0.0020790 k( 379) = ( 0.5000000 0.1276832 0.4318011), wk = 0.0020790 k( 380) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0020790 k( 381) = ( 0.5000000 0.1387861 0.4160992), wk = 0.0020790 k( 382) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0020790 k( 383) = ( 0.5000000 0.1498890 0.4003974), wk = 0.0020790 k( 384) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0020790 k( 385) = ( 0.5000000 0.1609919 0.3846955), wk = 0.0020790 k( 386) = ( 0.5000000 0.1665433 0.3768446), wk = 0.0020790 k( 387) = ( 0.5000000 0.1720948 0.3689936), wk = 0.0020790 k( 388) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0020790 k( 389) = ( 0.5000000 0.1831977 0.3532918), wk = 0.0020790 k( 390) = ( 0.5000000 0.1887491 0.3454409), wk = 0.0020790 k( 391) = ( 0.5000000 0.1943006 0.3375899), wk = 0.0020790 k( 392) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0020790 k( 393) = ( 0.5000000 0.2054035 0.3218881), wk = 0.0020790 k( 394) = ( 0.5000000 0.2109549 0.3140371), wk = 0.0020790 k( 395) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0020790 k( 396) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0020790 k( 397) = ( 0.5000000 0.2276092 0.2904844), wk = 0.0020790 k( 398) = ( 0.5000000 0.2331607 0.2826334), wk = 0.0020790 k( 399) = ( 0.5000000 0.2387121 0.2747825), wk = 0.0020790 k( 400) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0020790 k( 401) = ( 0.5000000 0.2498150 0.2590807), wk = 0.0020790 k( 402) = ( 0.5000000 0.2553665 0.2512297), wk = 0.0020790 k( 403) = ( 0.5000000 0.2609179 0.2433788), wk = 0.0020790 k( 404) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0020790 k( 405) = ( 0.5000000 0.2720208 0.2276769), wk = 0.0020790 k( 406) = ( 0.5000000 0.2775723 0.2198260), wk = 0.0020790 k( 407) = ( 0.5000000 0.2831237 0.2119751), wk = 0.0020790 k( 408) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020790 k( 409) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020790 k( 410) = ( 0.4972222 0.2870714 0.2131963), wk = 0.0020790 k( 411) = ( 0.4944444 0.2854676 0.2222685), wk = 0.0020790 k( 412) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0020790 k( 413) = ( 0.4888889 0.2822601 0.2404129), wk = 0.0020790 k( 414) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0020790 k( 415) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0020790 k( 416) = ( 0.4805556 0.2774489 0.2676294), wk = 0.0020790 k( 417) = ( 0.4777778 0.2758451 0.2767016), wk = 0.0020790 k( 418) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0020790 k( 419) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0020790 k( 420) = ( 0.4694444 0.2710339 0.3039182), wk = 0.0020790 k( 421) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0020790 k( 422) = ( 0.4638889 0.2678264 0.3220625), wk = 0.0020790 k( 423) = ( 0.4611111 0.2662226 0.3311347), wk = 0.0020790 k( 424) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0020790 k( 425) = ( 0.4555556 0.2630151 0.3492791), wk = 0.0020790 k( 426) = ( 0.4527778 0.2614114 0.3583513), wk = 0.0020790 k( 427) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0020790 k( 428) = ( 0.4472222 0.2582039 0.3764957), wk = 0.0020790 k( 429) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0020790 k( 430) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0020790 k( 431) = ( 0.4388889 0.2533926 0.4037122), wk = 0.0020790 k( 432) = ( 0.4361111 0.2517889 0.4127844), wk = 0.0020790 k( 433) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0020790 k( 434) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0020790 k( 435) = ( 0.4277778 0.2469776 0.4400009), wk = 0.0020790 k( 436) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0020790 k( 437) = ( 0.4222222 0.2437701 0.4581453), wk = 0.0020790 k( 438) = ( 0.4194444 0.2421664 0.4672175), wk = 0.0020790 k( 439) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0020790 k( 440) = ( 0.4138889 0.2389589 0.4853619), wk = 0.0020790 k( 441) = ( 0.4111111 0.2373551 0.4944340), wk = 0.0020790 k( 442) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0020790 k( 443) = ( 0.4055556 0.2341476 0.5125784), wk = 0.0020790 k( 444) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0020790 k( 445) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0020790 k( 446) = ( 0.3972222 0.2293364 0.5397950), wk = 0.0020790 k( 447) = ( 0.3944444 0.2277326 0.5488671), wk = 0.0020790 k( 448) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0020790 k( 449) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0020790 k( 450) = ( 0.3861111 0.2229214 0.5760837), wk = 0.0020790 k( 451) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0020790 k( 452) = ( 0.3805556 0.2197139 0.5942281), wk = 0.0020790 k( 453) = ( 0.3777778 0.2181101 0.6033002), wk = 0.0020790 k( 454) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020790 k( 455) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020790 k( 456) = ( 0.6201923 -0.0804959 0.4082483), wk = 0.0020790 k( 457) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0020790 k( 458) = ( 0.6105769 -0.0971503 0.4082483), wk = 0.0020790 k( 459) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0020790 k( 460) = ( 0.6009615 -0.1138046 0.4082483), wk = 0.0020790 k( 461) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0020790 k( 462) = ( 0.5913462 -0.1304590 0.4082483), wk = 0.0020790 k( 463) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0020790 k( 464) = ( 0.5817308 -0.1471133 0.4082483), wk = 0.0020790 k( 465) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0020790 k( 466) = ( 0.5721154 -0.1637676 0.4082483), wk = 0.0020790 k( 467) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0020790 k( 468) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0020790 k( 469) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0020790 k( 470) = ( 0.5528846 -0.1970763 0.4082483), wk = 0.0020790 k( 471) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0020790 k( 472) = ( 0.5432692 -0.2137306 0.4082483), wk = 0.0020790 k( 473) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0020790 k( 474) = ( 0.5336538 -0.2303850 0.4082483), wk = 0.0020790 k( 475) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0020790 k( 476) = ( 0.5240385 -0.2470393 0.4082483), wk = 0.0020790 k( 477) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0020790 k( 478) = ( 0.5144231 -0.2636936 0.4082483), wk = 0.0020790 k( 479) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0020790 k( 480) = ( 0.5048077 -0.2803480 0.4082483), wk = 0.0020790 k( 481) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020790 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 2) = ( 0.0068493 0.0000000 0.0068493), wk = 0.0020790 k( 3) = ( 0.0136986 0.0000000 0.0136986), wk = 0.0020790 k( 4) = ( 0.0205479 -0.0000000 0.0205479), wk = 0.0020790 k( 5) = ( 0.0273973 0.0000000 0.0273973), wk = 0.0020790 k( 6) = ( 0.0342466 0.0000000 0.0342466), wk = 0.0020790 k( 7) = ( 0.0410959 -0.0000000 0.0410959), wk = 0.0020790 k( 8) = ( 0.0479452 -0.0000000 0.0479452), wk = 0.0020790 k( 9) = ( 0.0547945 0.0000000 0.0547945), wk = 0.0020790 k( 10) = ( 0.0616438 -0.0000000 0.0616438), wk = 0.0020790 k( 11) = ( 0.0684932 0.0000000 0.0684932), wk = 0.0020790 k( 12) = ( 0.0753425 0.0000000 0.0753425), wk = 0.0020790 k( 13) = ( 0.0821918 -0.0000000 0.0821918), wk = 0.0020790 k( 14) = ( 0.0890411 0.0000000 0.0890411), wk = 0.0020790 k( 15) = ( 0.0958904 -0.0000000 0.0958904), wk = 0.0020790 k( 16) = ( 0.1027397 -0.0000000 0.1027397), wk = 0.0020790 k( 17) = ( 0.1095890 0.0000000 0.1095890), wk = 0.0020790 k( 18) = ( 0.1164384 0.0000000 0.1164384), wk = 0.0020790 k( 19) = ( 0.1232877 -0.0000000 0.1232877), wk = 0.0020790 k( 20) = ( 0.1301370 0.0000000 0.1301370), wk = 0.0020790 k( 21) = ( 0.1369863 0.0000000 0.1369863), wk = 0.0020790 k( 22) = ( 0.1438356 -0.0000000 0.1438356), wk = 0.0020790 k( 23) = ( 0.1506849 0.0000000 0.1506849), wk = 0.0020790 k( 24) = ( 0.1575342 0.0000000 0.1575342), wk = 0.0020790 k( 25) = ( 0.1643836 -0.0000000 0.1643836), wk = 0.0020790 k( 26) = ( 0.1712329 0.0000000 0.1712329), wk = 0.0020790 k( 27) = ( 0.1780822 0.0000000 0.1780822), wk = 0.0020790 k( 28) = ( 0.1849315 -0.0000000 0.1849315), wk = 0.0020790 k( 29) = ( 0.1917808 -0.0000000 0.1917808), wk = 0.0020790 k( 30) = ( 0.1986301 0.0000000 0.1986301), wk = 0.0020790 k( 31) = ( 0.2054795 -0.0000000 0.2054795), wk = 0.0020790 k( 32) = ( 0.2123288 -0.0000000 0.2123288), wk = 0.0020790 k( 33) = ( 0.2191781 0.0000000 0.2191781), wk = 0.0020790 k( 34) = ( 0.2260274 -0.0000000 0.2260274), wk = 0.0020790 k( 35) = ( 0.2328767 0.0000000 0.2328767), wk = 0.0020790 k( 36) = ( 0.2397260 -0.0000000 0.2397260), wk = 0.0020790 k( 37) = ( 0.2465753 -0.0000000 0.2465753), wk = 0.0020790 k( 38) = ( 0.2534247 0.0000000 0.2534247), wk = 0.0020790 k( 39) = ( 0.2602740 0.0000000 0.2602740), wk = 0.0020790 k( 40) = ( 0.2671233 -0.0000000 0.2671233), wk = 0.0020790 k( 41) = ( 0.2739726 0.0000000 0.2739726), wk = 0.0020790 k( 42) = ( 0.2808219 -0.0000000 0.2808219), wk = 0.0020790 k( 43) = ( 0.2876712 0.0000000 0.2876712), wk = 0.0020790 k( 44) = ( 0.2945205 0.0000000 0.2945205), wk = 0.0020790 k( 45) = ( 0.3013699 0.0000000 0.3013699), wk = 0.0020790 k( 46) = ( 0.3082192 0.0000000 0.3082192), wk = 0.0020790 k( 47) = ( 0.3150685 -0.0000000 0.3150685), wk = 0.0020790 k( 48) = ( 0.3219178 0.0000000 0.3219178), wk = 0.0020790 k( 49) = ( 0.3287671 -0.0000000 0.3287671), wk = 0.0020790 k( 50) = ( 0.3356164 -0.0000000 0.3356164), wk = 0.0020790 k( 51) = ( 0.3424658 0.0000000 0.3424658), wk = 0.0020790 k( 52) = ( 0.3493151 -0.0000000 0.3493151), wk = 0.0020790 k( 53) = ( 0.3561644 0.0000000 0.3561644), wk = 0.0020790 k( 54) = ( 0.3630137 -0.0000000 0.3630137), wk = 0.0020790 k( 55) = ( 0.3698630 0.0000000 0.3698630), wk = 0.0020790 k( 56) = ( 0.3767123 0.0000000 0.3767123), wk = 0.0020790 k( 57) = ( 0.3835616 -0.0000000 0.3835616), wk = 0.0020790 k( 58) = ( 0.3904110 0.0000000 0.3904110), wk = 0.0020790 k( 59) = ( 0.3972603 -0.0000000 0.3972603), wk = 0.0020790 k( 60) = ( 0.4041096 -0.0000000 0.4041096), wk = 0.0020790 k( 61) = ( 0.4109589 -0.0000000 0.4109589), wk = 0.0020790 k( 62) = ( 0.4178082 -0.0000000 0.4178082), wk = 0.0020790 k( 63) = ( 0.4246575 0.0000000 0.4246575), wk = 0.0020790 k( 64) = ( 0.4315068 -0.0000000 0.4315068), wk = 0.0020790 k( 65) = ( 0.4383562 0.0000000 0.4383562), wk = 0.0020790 k( 66) = ( 0.4452055 0.0000000 0.4452055), wk = 0.0020790 k( 67) = ( 0.4520548 -0.0000000 0.4520548), wk = 0.0020790 k( 68) = ( 0.4589041 -0.0000000 0.4589041), wk = 0.0020790 k( 69) = ( 0.4657534 0.0000000 0.4657534), wk = 0.0020790 k( 70) = ( 0.4726027 -0.0000000 0.4726027), wk = 0.0020790 k( 71) = ( 0.4794521 -0.0000000 0.4794520), wk = 0.0020790 k( 72) = ( 0.4863014 0.0000000 0.4863014), wk = 0.0020790 k( 73) = ( 0.4931507 -0.0000000 0.4931507), wk = 0.0020790 k( 74) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020790 k( 75) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020790 k( 76) = ( 0.5000000 0.0067568 0.5067568), wk = 0.0020790 k( 77) = ( 0.5000000 0.0135135 0.5135135), wk = 0.0020790 k( 78) = ( 0.5000000 0.0202703 0.5202703), wk = 0.0020790 k( 79) = ( 0.5000000 0.0270270 0.5270270), wk = 0.0020790 k( 80) = ( 0.5000000 0.0337838 0.5337838), wk = 0.0020790 k( 81) = ( 0.5000000 0.0405405 0.5405405), wk = 0.0020790 k( 82) = ( 0.5000000 0.0472973 0.5472973), wk = 0.0020790 k( 83) = ( 0.5000000 0.0540540 0.5540540), wk = 0.0020790 k( 84) = ( 0.5000000 0.0608108 0.5608108), wk = 0.0020790 k( 85) = ( 0.5000000 0.0675676 0.5675676), wk = 0.0020790 k( 86) = ( 0.5000000 0.0743243 0.5743243), wk = 0.0020790 k( 87) = ( 0.5000000 0.0810811 0.5810811), wk = 0.0020790 k( 88) = ( 0.5000000 0.0878378 0.5878378), wk = 0.0020790 k( 89) = ( 0.5000000 0.0945946 0.5945946), wk = 0.0020790 k( 90) = ( 0.5000000 0.1013513 0.6013513), wk = 0.0020790 k( 91) = ( 0.5000000 0.1081081 0.6081081), wk = 0.0020790 k( 92) = ( 0.5000000 0.1148649 0.6148649), wk = 0.0020790 k( 93) = ( 0.5000000 0.1216216 0.6216216), wk = 0.0020790 k( 94) = ( 0.5000000 0.1283784 0.6283784), wk = 0.0020790 k( 95) = ( 0.5000000 0.1351351 0.6351351), wk = 0.0020790 k( 96) = ( 0.5000000 0.1418919 0.6418919), wk = 0.0020790 k( 97) = ( 0.5000000 0.1486486 0.6486487), wk = 0.0020790 k( 98) = ( 0.5000000 0.1554054 0.6554054), wk = 0.0020790 k( 99) = ( 0.5000000 0.1621622 0.6621622), wk = 0.0020790 k( 100) = ( 0.5000000 0.1689189 0.6689189), wk = 0.0020790 k( 101) = ( 0.5000000 0.1756757 0.6756757), wk = 0.0020790 k( 102) = ( 0.5000000 0.1824324 0.6824324), wk = 0.0020790 k( 103) = ( 0.5000000 0.1891892 0.6891892), wk = 0.0020790 k( 104) = ( 0.5000000 0.1959460 0.6959460), wk = 0.0020790 k( 105) = ( 0.5000000 0.2027027 0.7027027), wk = 0.0020790 k( 106) = ( 0.5000000 0.2094595 0.7094595), wk = 0.0020790 k( 107) = ( 0.5000000 0.2162162 0.7162162), wk = 0.0020790 k( 108) = ( 0.5000000 0.2229730 0.7229730), wk = 0.0020790 k( 109) = ( 0.5000000 0.2297297 0.7297297), wk = 0.0020790 k( 110) = ( 0.5000000 0.2364865 0.7364865), wk = 0.0020790 k( 111) = ( 0.5000000 0.2432432 0.7432432), wk = 0.0020790 k( 112) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020790 k( 113) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020790 k( 114) = ( 0.4951923 0.2548077 0.7500000), wk = 0.0020790 k( 115) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0020790 k( 116) = ( 0.4855769 0.2644231 0.7500000), wk = 0.0020790 k( 117) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0020790 k( 118) = ( 0.4759615 0.2740385 0.7500000), wk = 0.0020790 k( 119) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0020790 k( 120) = ( 0.4663462 0.2836538 0.7500000), wk = 0.0020790 k( 121) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0020790 k( 122) = ( 0.4567308 0.2932692 0.7500000), wk = 0.0020790 k( 123) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0020790 k( 124) = ( 0.4471154 0.3028846 0.7500000), wk = 0.0020790 k( 125) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0020790 k( 126) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0020790 k( 127) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0020790 k( 128) = ( 0.4278846 0.3221154 0.7500000), wk = 0.0020790 k( 129) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0020790 k( 130) = ( 0.4182692 0.3317308 0.7500000), wk = 0.0020790 k( 131) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0020790 k( 132) = ( 0.4086538 0.3413462 0.7500000), wk = 0.0020790 k( 133) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0020790 k( 134) = ( 0.3990385 0.3509615 0.7500000), wk = 0.0020790 k( 135) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0020790 k( 136) = ( 0.3894231 0.3605769 0.7500000), wk = 0.0020790 k( 137) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0020790 k( 138) = ( 0.3798077 0.3701923 0.7500000), wk = 0.0020790 k( 139) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020790 k( 140) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020790 k( 141) = ( 0.3701923 0.3701923 0.7403846), wk = 0.0020790 k( 142) = ( 0.3653846 0.3653846 0.7307692), wk = 0.0020790 k( 143) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0020790 k( 144) = ( 0.3557692 0.3557692 0.7115385), wk = 0.0020790 k( 145) = ( 0.3509615 0.3509615 0.7019231), wk = 0.0020790 k( 146) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0020790 k( 147) = ( 0.3413462 0.3413462 0.6826923), wk = 0.0020790 k( 148) = ( 0.3365385 0.3365385 0.6730769), wk = 0.0020790 k( 149) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0020790 k( 150) = ( 0.3269231 0.3269231 0.6538462), wk = 0.0020790 k( 151) = ( 0.3221154 0.3221154 0.6442308), wk = 0.0020790 k( 152) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0020790 k( 153) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0020790 k( 154) = ( 0.3076923 0.3076923 0.6153846), wk = 0.0020790 k( 155) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0020790 k( 156) = ( 0.2980769 0.2980769 0.5961538), wk = 0.0020790 k( 157) = ( 0.2932692 0.2932692 0.5865385), wk = 0.0020790 k( 158) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0020790 k( 159) = ( 0.2836538 0.2836538 0.5673077), wk = 0.0020790 k( 160) = ( 0.2788462 0.2788462 0.5576923), wk = 0.0020790 k( 161) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0020790 k( 162) = ( 0.2692308 0.2692308 0.5384615), wk = 0.0020790 k( 163) = ( 0.2644231 0.2644231 0.5288462), wk = 0.0020790 k( 164) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0020790 k( 165) = ( 0.2548077 0.2548077 0.5096154), wk = 0.0020790 k( 166) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020790 k( 167) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0020790 k( 168) = ( 0.2403846 0.2403846 0.4807692), wk = 0.0020790 k( 169) = ( 0.2355769 0.2355769 0.4711538), wk = 0.0020790 k( 170) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0020790 k( 171) = ( 0.2259615 0.2259615 0.4519231), wk = 0.0020790 k( 172) = ( 0.2211539 0.2211539 0.4423077), wk = 0.0020790 k( 173) = ( 0.2163461 0.2163462 0.4326923), wk = 0.0020790 k( 174) = ( 0.2115385 0.2115385 0.4230769), wk = 0.0020790 k( 175) = ( 0.2067308 0.2067308 0.4134615), wk = 0.0020790 k( 176) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0020790 k( 177) = ( 0.1971154 0.1971154 0.3942308), wk = 0.0020790 k( 178) = ( 0.1923077 0.1923077 0.3846154), wk = 0.0020790 k( 179) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0020790 k( 180) = ( 0.1826923 0.1826923 0.3653846), wk = 0.0020790 k( 181) = ( 0.1778846 0.1778846 0.3557692), wk = 0.0020790 k( 182) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0020790 k( 183) = ( 0.1682692 0.1682692 0.3365385), wk = 0.0020790 k( 184) = ( 0.1634615 0.1634615 0.3269231), wk = 0.0020790 k( 185) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0020790 k( 186) = ( 0.1538461 0.1538461 0.3076923), wk = 0.0020790 k( 187) = ( 0.1490385 0.1490385 0.2980769), wk = 0.0020790 k( 188) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0020790 k( 189) = ( 0.1394231 0.1394231 0.2788462), wk = 0.0020790 k( 190) = ( 0.1346154 0.1346154 0.2692308), wk = 0.0020790 k( 191) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0020790 k( 192) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0020790 k( 193) = ( 0.1201923 0.1201923 0.2403846), wk = 0.0020790 k( 194) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0020790 k( 195) = ( 0.1105769 0.1105769 0.2211539), wk = 0.0020790 k( 196) = ( 0.1057692 0.1057692 0.2115385), wk = 0.0020790 k( 197) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0020790 k( 198) = ( 0.0961538 0.0961538 0.1923077), wk = 0.0020790 k( 199) = ( 0.0913462 0.0913462 0.1826923), wk = 0.0020790 k( 200) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0020790 k( 201) = ( 0.0817308 0.0817308 0.1634615), wk = 0.0020790 k( 202) = ( 0.0769231 0.0769231 0.1538461), wk = 0.0020790 k( 203) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0020790 k( 204) = ( 0.0673077 0.0673077 0.1346154), wk = 0.0020790 k( 205) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0020790 k( 206) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0020790 k( 207) = ( 0.0528846 0.0528846 0.1057692), wk = 0.0020790 k( 208) = ( 0.0480769 0.0480769 0.0961538), wk = 0.0020790 k( 209) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0020790 k( 210) = ( 0.0384615 0.0384615 0.0769231), wk = 0.0020790 k( 211) = ( 0.0336538 0.0336538 0.0673077), wk = 0.0020790 k( 212) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0020790 k( 213) = ( 0.0240385 0.0240385 0.0480769), wk = 0.0020790 k( 214) = ( 0.0192308 0.0192308 0.0384615), wk = 0.0020790 k( 215) = ( 0.0144231 0.0144231 0.0288462), wk = 0.0020790 k( 216) = ( 0.0096154 0.0096154 0.0192308), wk = 0.0020790 k( 217) = ( 0.0048077 0.0048077 0.0096154), wk = 0.0020790 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 220) = ( 0.0079365 0.0079365 0.0079365), wk = 0.0020790 k( 221) = ( 0.0158730 0.0158730 0.0158730), wk = 0.0020790 k( 222) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0020790 k( 223) = ( 0.0317460 0.0317460 0.0317460), wk = 0.0020790 k( 224) = ( 0.0396825 0.0396825 0.0396825), wk = 0.0020790 k( 225) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0020790 k( 226) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0020790 k( 227) = ( 0.0634921 0.0634921 0.0634921), wk = 0.0020790 k( 228) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0020790 k( 229) = ( 0.0793651 0.0793651 0.0793651), wk = 0.0020790 k( 230) = ( 0.0873016 0.0873016 0.0873016), wk = 0.0020790 k( 231) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0020790 k( 232) = ( 0.1031746 0.1031746 0.1031746), wk = 0.0020790 k( 233) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0020790 k( 234) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0020790 k( 235) = ( 0.1269841 0.1269841 0.1269841), wk = 0.0020790 k( 236) = ( 0.1349206 0.1349206 0.1349206), wk = 0.0020790 k( 237) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0020790 k( 238) = ( 0.1507937 0.1507937 0.1507937), wk = 0.0020790 k( 239) = ( 0.1587302 0.1587302 0.1587302), wk = 0.0020790 k( 240) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0020790 k( 241) = ( 0.1746032 0.1746032 0.1746032), wk = 0.0020790 k( 242) = ( 0.1825397 0.1825397 0.1825397), wk = 0.0020790 k( 243) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0020790 k( 244) = ( 0.1984127 0.1984127 0.1984127), wk = 0.0020790 k( 245) = ( 0.2063492 0.2063492 0.2063492), wk = 0.0020790 k( 246) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0020790 k( 247) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0020790 k( 248) = ( 0.2301587 0.2301587 0.2301587), wk = 0.0020790 k( 249) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0020790 k( 250) = ( 0.2460317 0.2460317 0.2460317), wk = 0.0020790 k( 251) = ( 0.2539683 0.2539683 0.2539683), wk = 0.0020790 k( 252) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0020790 k( 253) = ( 0.2698413 0.2698413 0.2698413), wk = 0.0020790 k( 254) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0020790 k( 255) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0020790 k( 256) = ( 0.2936508 0.2936508 0.2936508), wk = 0.0020790 k( 257) = ( 0.3015873 0.3015873 0.3015873), wk = 0.0020790 k( 258) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0020790 k( 259) = ( 0.3174603 0.3174603 0.3174603), wk = 0.0020790 k( 260) = ( 0.3253968 0.3253968 0.3253968), wk = 0.0020790 k( 261) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020790 k( 262) = ( 0.3412698 0.3412698 0.3412698), wk = 0.0020790 k( 263) = ( 0.3492063 0.3492063 0.3492063), wk = 0.0020790 k( 264) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0020790 k( 265) = ( 0.3650794 0.3650794 0.3650794), wk = 0.0020790 k( 266) = ( 0.3730159 0.3730159 0.3730159), wk = 0.0020790 k( 267) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0020790 k( 268) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0020790 k( 269) = ( 0.3968254 0.3968254 0.3968254), wk = 0.0020790 k( 270) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0020790 k( 271) = ( 0.4126984 0.4126984 0.4126984), wk = 0.0020790 k( 272) = ( 0.4206349 0.4206349 0.4206349), wk = 0.0020790 k( 273) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0020790 k( 274) = ( 0.4365079 0.4365079 0.4365079), wk = 0.0020790 k( 275) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0020790 k( 276) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0020790 k( 277) = ( 0.4603175 0.4603175 0.4603175), wk = 0.0020790 k( 278) = ( 0.4682540 0.4682540 0.4682540), wk = 0.0020790 k( 279) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0020790 k( 280) = ( 0.4841270 0.4841270 0.4841270), wk = 0.0020790 k( 281) = ( 0.4920635 0.4920635 0.4920635), wk = 0.0020790 k( 282) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020790 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020790 k( 284) = ( 0.5027778 0.4944444 0.5027778), wk = 0.0020790 k( 285) = ( 0.5055556 0.4888889 0.5055556), wk = 0.0020790 k( 286) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0020790 k( 287) = ( 0.5111111 0.4777778 0.5111111), wk = 0.0020790 k( 288) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0020790 k( 289) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0020790 k( 290) = ( 0.5194444 0.4611111 0.5194444), wk = 0.0020790 k( 291) = ( 0.5222222 0.4555556 0.5222222), wk = 0.0020790 k( 292) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0020790 k( 293) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0020790 k( 294) = ( 0.5305556 0.4388889 0.5305556), wk = 0.0020790 k( 295) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0020790 k( 296) = ( 0.5361111 0.4277778 0.5361111), wk = 0.0020790 k( 297) = ( 0.5388889 0.4222222 0.5388889), wk = 0.0020790 k( 298) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0020790 k( 299) = ( 0.5444444 0.4111111 0.5444444), wk = 0.0020790 k( 300) = ( 0.5472222 0.4055556 0.5472222), wk = 0.0020790 k( 301) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0020790 k( 302) = ( 0.5527778 0.3944444 0.5527778), wk = 0.0020790 k( 303) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0020790 k( 304) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0020790 k( 305) = ( 0.5611111 0.3777778 0.5611111), wk = 0.0020790 k( 306) = ( 0.5638889 0.3722222 0.5638889), wk = 0.0020790 k( 307) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0020790 k( 308) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0020790 k( 309) = ( 0.5722222 0.3555556 0.5722222), wk = 0.0020790 k( 310) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0020790 k( 311) = ( 0.5777778 0.3444444 0.5777778), wk = 0.0020790 k( 312) = ( 0.5805556 0.3388889 0.5805556), wk = 0.0020790 k( 313) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0020790 k( 314) = ( 0.5861111 0.3277778 0.5861111), wk = 0.0020790 k( 315) = ( 0.5888889 0.3222222 0.5888889), wk = 0.0020790 k( 316) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0020790 k( 317) = ( 0.5944444 0.3111111 0.5944444), wk = 0.0020790 k( 318) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0020790 k( 319) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0020790 k( 320) = ( 0.6027778 0.2944444 0.6027778), wk = 0.0020790 k( 321) = ( 0.6055556 0.2888889 0.6055556), wk = 0.0020790 k( 322) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0020790 k( 323) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0020790 k( 324) = ( 0.6138889 0.2722222 0.6138889), wk = 0.0020790 k( 325) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0020790 k( 326) = ( 0.6194444 0.2611111 0.6194444), wk = 0.0020790 k( 327) = ( 0.6222222 0.2555556 0.6222222), wk = 0.0020790 k( 328) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020790 k( 329) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020790 k( 330) = ( 0.6201923 0.2500000 0.6298077), wk = 0.0020790 k( 331) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0020790 k( 332) = ( 0.6105769 0.2500000 0.6394231), wk = 0.0020790 k( 333) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0020790 k( 334) = ( 0.6009615 0.2500000 0.6490385), wk = 0.0020790 k( 335) = ( 0.5961538 0.2500000 0.6538462), wk = 0.0020790 k( 336) = ( 0.5913462 0.2500000 0.6586538), wk = 0.0020790 k( 337) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0020790 k( 338) = ( 0.5817308 0.2500000 0.6682692), wk = 0.0020790 k( 339) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0020790 k( 340) = ( 0.5721154 0.2500000 0.6778846), wk = 0.0020790 k( 341) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0020790 k( 342) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0020790 k( 343) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0020790 k( 344) = ( 0.5528846 0.2500000 0.6971154), wk = 0.0020790 k( 345) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0020790 k( 346) = ( 0.5432692 0.2500000 0.7067308), wk = 0.0020790 k( 347) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0020790 k( 348) = ( 0.5336538 0.2500000 0.7163462), wk = 0.0020790 k( 349) = ( 0.5288462 0.2500000 0.7211538), wk = 0.0020790 k( 350) = ( 0.5240385 0.2500000 0.7259615), wk = 0.0020790 k( 351) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0020790 k( 352) = ( 0.5144231 0.2500000 0.7355769), wk = 0.0020790 k( 353) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0020790 k( 354) = ( 0.5048077 0.2500000 0.7451923), wk = 0.0020790 k( 355) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020790 k( 356) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020790 k( 357) = ( 0.5000000 0.2548077 0.7451923), wk = 0.0020790 k( 358) = ( 0.5000000 0.2596154 0.7403846), wk = 0.0020790 k( 359) = ( 0.5000000 0.2644231 0.7355769), wk = 0.0020790 k( 360) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0020790 k( 361) = ( 0.5000000 0.2740385 0.7259615), wk = 0.0020790 k( 362) = ( 0.5000000 0.2788462 0.7211538), wk = 0.0020790 k( 363) = ( 0.5000000 0.2836538 0.7163462), wk = 0.0020790 k( 364) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0020790 k( 365) = ( 0.5000000 0.2932692 0.7067308), wk = 0.0020790 k( 366) = ( 0.5000000 0.2980769 0.7019231), wk = 0.0020790 k( 367) = ( 0.5000000 0.3028846 0.6971154), wk = 0.0020790 k( 368) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0020790 k( 369) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0020790 k( 370) = ( 0.5000000 0.3173077 0.6826923), wk = 0.0020790 k( 371) = ( 0.5000000 0.3221154 0.6778846), wk = 0.0020790 k( 372) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0020790 k( 373) = ( 0.5000000 0.3317308 0.6682692), wk = 0.0020790 k( 374) = ( 0.5000000 0.3365385 0.6634615), wk = 0.0020790 k( 375) = ( 0.5000000 0.3413462 0.6586538), wk = 0.0020790 k( 376) = ( 0.5000000 0.3461538 0.6538462), wk = 0.0020790 k( 377) = ( 0.5000000 0.3509615 0.6490385), wk = 0.0020790 k( 378) = ( 0.5000000 0.3557692 0.6442308), wk = 0.0020790 k( 379) = ( 0.5000000 0.3605769 0.6394231), wk = 0.0020790 k( 380) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0020790 k( 381) = ( 0.5000000 0.3701923 0.6298077), wk = 0.0020790 k( 382) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0020790 k( 383) = ( 0.5000000 0.3798077 0.6201923), wk = 0.0020790 k( 384) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0020790 k( 385) = ( 0.5000000 0.3894231 0.6105769), wk = 0.0020790 k( 386) = ( 0.5000000 0.3942308 0.6057692), wk = 0.0020790 k( 387) = ( 0.5000000 0.3990385 0.6009615), wk = 0.0020790 k( 388) = ( 0.5000000 0.4038462 0.5961538), wk = 0.0020790 k( 389) = ( 0.5000000 0.4086538 0.5913462), wk = 0.0020790 k( 390) = ( 0.5000000 0.4134615 0.5865385), wk = 0.0020790 k( 391) = ( 0.5000000 0.4182692 0.5817308), wk = 0.0020790 k( 392) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0020790 k( 393) = ( 0.5000000 0.4278846 0.5721154), wk = 0.0020790 k( 394) = ( 0.5000000 0.4326923 0.5673077), wk = 0.0020790 k( 395) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0020790 k( 396) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0020790 k( 397) = ( 0.5000000 0.4471154 0.5528846), wk = 0.0020790 k( 398) = ( 0.5000000 0.4519231 0.5480769), wk = 0.0020790 k( 399) = ( 0.5000000 0.4567308 0.5432692), wk = 0.0020790 k( 400) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0020790 k( 401) = ( 0.5000000 0.4663462 0.5336538), wk = 0.0020790 k( 402) = ( 0.5000000 0.4711538 0.5288462), wk = 0.0020790 k( 403) = ( 0.5000000 0.4759615 0.5240385), wk = 0.0020790 k( 404) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0020790 k( 405) = ( 0.5000000 0.4855769 0.5144231), wk = 0.0020790 k( 406) = ( 0.5000000 0.4903846 0.5096154), wk = 0.0020790 k( 407) = ( 0.5000000 0.4951923 0.5048077), wk = 0.0020790 k( 408) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020790 k( 409) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020790 k( 410) = ( 0.4972222 0.4972222 0.5055556), wk = 0.0020790 k( 411) = ( 0.4944444 0.4944444 0.5111111), wk = 0.0020790 k( 412) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0020790 k( 413) = ( 0.4888889 0.4888889 0.5222222), wk = 0.0020790 k( 414) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0020790 k( 415) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0020790 k( 416) = ( 0.4805556 0.4805556 0.5388889), wk = 0.0020790 k( 417) = ( 0.4777778 0.4777778 0.5444444), wk = 0.0020790 k( 418) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0020790 k( 419) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0020790 k( 420) = ( 0.4694444 0.4694444 0.5611111), wk = 0.0020790 k( 421) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0020790 k( 422) = ( 0.4638889 0.4638889 0.5722222), wk = 0.0020790 k( 423) = ( 0.4611111 0.4611111 0.5777778), wk = 0.0020790 k( 424) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0020790 k( 425) = ( 0.4555556 0.4555556 0.5888889), wk = 0.0020790 k( 426) = ( 0.4527778 0.4527778 0.5944444), wk = 0.0020790 k( 427) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0020790 k( 428) = ( 0.4472222 0.4472222 0.6055556), wk = 0.0020790 k( 429) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0020790 k( 430) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0020790 k( 431) = ( 0.4388889 0.4388889 0.6222222), wk = 0.0020790 k( 432) = ( 0.4361111 0.4361111 0.6277778), wk = 0.0020790 k( 433) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0020790 k( 434) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0020790 k( 435) = ( 0.4277778 0.4277778 0.6444444), wk = 0.0020790 k( 436) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0020790 k( 437) = ( 0.4222222 0.4222222 0.6555556), wk = 0.0020790 k( 438) = ( 0.4194444 0.4194444 0.6611111), wk = 0.0020790 k( 439) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0020790 k( 440) = ( 0.4138889 0.4138889 0.6722222), wk = 0.0020790 k( 441) = ( 0.4111111 0.4111111 0.6777778), wk = 0.0020790 k( 442) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0020790 k( 443) = ( 0.4055556 0.4055556 0.6888889), wk = 0.0020790 k( 444) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0020790 k( 445) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0020790 k( 446) = ( 0.3972222 0.3972222 0.7055556), wk = 0.0020790 k( 447) = ( 0.3944444 0.3944444 0.7111111), wk = 0.0020790 k( 448) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0020790 k( 449) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0020790 k( 450) = ( 0.3861111 0.3861111 0.7277778), wk = 0.0020790 k( 451) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0020790 k( 452) = ( 0.3805556 0.3805556 0.7388889), wk = 0.0020790 k( 453) = ( 0.3777778 0.3777778 0.7444444), wk = 0.0020790 k( 454) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020790 k( 455) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020790 k( 456) = ( 0.6201923 0.2403846 0.6201923), wk = 0.0020790 k( 457) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0020790 k( 458) = ( 0.6105769 0.2211538 0.6105769), wk = 0.0020790 k( 459) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0020790 k( 460) = ( 0.6009615 0.2019231 0.6009615), wk = 0.0020790 k( 461) = ( 0.5961538 0.1923077 0.5961538), wk = 0.0020790 k( 462) = ( 0.5913462 0.1826923 0.5913462), wk = 0.0020790 k( 463) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0020790 k( 464) = ( 0.5817308 0.1634615 0.5817308), wk = 0.0020790 k( 465) = ( 0.5769231 0.1538461 0.5769231), wk = 0.0020790 k( 466) = ( 0.5721154 0.1442308 0.5721154), wk = 0.0020790 k( 467) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0020790 k( 468) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0020790 k( 469) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0020790 k( 470) = ( 0.5528846 0.1057692 0.5528846), wk = 0.0020790 k( 471) = ( 0.5480769 0.0961538 0.5480769), wk = 0.0020790 k( 472) = ( 0.5432692 0.0865385 0.5432692), wk = 0.0020790 k( 473) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0020790 k( 474) = ( 0.5336538 0.0673077 0.5336538), wk = 0.0020790 k( 475) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0020790 k( 476) = ( 0.5240385 0.0480769 0.5240385), wk = 0.0020790 k( 477) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0020790 k( 478) = ( 0.5144231 0.0288461 0.5144231), wk = 0.0020790 k( 479) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0020790 k( 480) = ( 0.5048077 0.0096154 0.5048077), wk = 0.0020790 k( 481) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020790 Dense grid: 17453 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 8363 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 56, 24) NL pseudopotentials 0.01 Mb ( 28, 28) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 486) G-vector shells 0.00 Mb ( 174) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 56, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.02 Mb ( 28, 2, 24) Check: negative/imaginary core charge= -0.000024 0.000000 The potential is recalculated from file : ./MgO.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.2 secs Computing kpt #: 13 total cpu time spent up to now is 3.3 secs Computing kpt #: 14 total cpu time spent up to now is 3.4 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs Computing kpt #: 16 total cpu time spent up to now is 3.6 secs Computing kpt #: 17 total cpu time spent up to now is 3.6 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.8 secs Computing kpt #: 20 total cpu time spent up to now is 3.9 secs Computing kpt #: 21 total cpu time spent up to now is 4.0 secs Computing kpt #: 22 total cpu time spent up to now is 4.0 secs Computing kpt #: 23 total cpu time spent up to now is 4.1 secs Computing kpt #: 24 total cpu time spent up to now is 4.2 secs Computing kpt #: 25 total cpu time spent up to now is 4.3 secs Computing kpt #: 26 total cpu time spent up to now is 4.4 secs Computing kpt #: 27 total cpu time spent up to now is 4.5 secs Computing kpt #: 28 total cpu time spent up to now is 4.6 secs Computing kpt #: 29 total cpu time spent up to now is 4.7 secs Computing kpt #: 30 total cpu time spent up to now is 4.8 secs Computing kpt #: 31 total cpu time spent up to now is 4.8 secs Computing kpt #: 32 total cpu time spent up to now is 4.9 secs Computing kpt #: 33 total cpu time spent up to now is 5.0 secs Computing kpt #: 34 total cpu time spent up to now is 5.2 secs Computing kpt #: 35 total cpu time spent up to now is 5.3 secs Computing kpt #: 36 total cpu time spent up to now is 5.4 secs Computing kpt #: 37 total cpu time spent up to now is 5.5 secs Computing kpt #: 38 total cpu time spent up to now is 5.6 secs Computing kpt #: 39 total cpu time spent up to now is 5.7 secs Computing kpt #: 40 total cpu time spent up to now is 5.8 secs Computing kpt #: 41 total cpu time spent up to now is 5.9 secs Computing kpt #: 42 total cpu time spent up to now is 6.0 secs Computing kpt #: 43 total cpu time spent up to now is 6.1 secs Computing kpt #: 44 total cpu time spent up to now is 6.2 secs Computing kpt #: 45 total cpu time spent up to now is 6.4 secs Computing kpt #: 46 total cpu time spent up to now is 6.5 secs Computing kpt #: 47 total cpu time spent up to now is 6.6 secs Computing kpt #: 48 total cpu time spent up to 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cpu time spent up to now is 9.8 secs Computing kpt #: 81 total cpu time spent up to now is 9.9 secs Computing kpt #: 82 total cpu time spent up to now is 9.9 secs Computing kpt #: 83 total cpu time spent up to now is 10.0 secs Computing kpt #: 84 total cpu time spent up to now is 10.1 secs Computing kpt #: 85 total cpu time spent up to now is 10.2 secs Computing kpt #: 86 total cpu time spent up to now is 10.3 secs Computing kpt #: 87 total cpu time spent up to now is 10.3 secs Computing kpt #: 88 total cpu time spent up to now is 10.4 secs Computing kpt #: 89 total cpu time spent up to now is 10.5 secs Computing kpt #: 90 total cpu time spent up to now is 10.6 secs Computing kpt #: 91 total cpu time spent up to now is 10.7 secs Computing kpt #: 92 total cpu time spent up to now is 10.8 secs Computing kpt #: 93 total cpu time spent up to now is 10.9 secs Computing kpt #: 94 total cpu time spent up to now is 10.9 secs Computing kpt #: 95 total cpu time spent up to now is 11.0 secs Computing kpt #: 96 total cpu time spent up to now is 11.1 secs Computing kpt #: 97 total cpu time spent up to now is 11.1 secs Computing kpt #: 98 total cpu time spent up to now is 11.2 secs Computing kpt #: 99 total cpu time spent up to now is 11.3 secs Computing kpt #: 100 total cpu time spent up to now is 11.3 secs Computing kpt #: 101 total cpu time spent up to now is 11.4 secs Computing kpt #: 102 total cpu time spent up to now is 11.5 secs Computing kpt #: 103 total cpu time spent up to now is 11.5 secs Computing kpt #: 104 total cpu time spent up to now is 11.6 secs Computing kpt #: 105 total cpu time spent up to now is 11.6 secs Computing kpt #: 106 total cpu time spent up to now is 11.7 secs Computing kpt #: 107 total cpu time spent up to now is 11.8 secs Computing kpt #: 108 total cpu time spent up to now is 11.8 secs Computing kpt #: 109 total cpu time spent up to now is 11.9 secs Computing kpt #: 110 total cpu time spent up to now is 12.0 secs Computing kpt #: 111 total 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is 13.0 secs Computing kpt #: 127 total cpu time spent up to now is 13.1 secs Computing kpt #: 128 total cpu time spent up to now is 13.1 secs Computing kpt #: 129 total cpu time spent up to now is 13.2 secs Computing kpt #: 130 total cpu time spent up to now is 13.3 secs Computing kpt #: 131 total cpu time spent up to now is 13.4 secs Computing kpt #: 132 total cpu time spent up to now is 13.4 secs Computing kpt #: 133 total cpu time spent up to now is 13.5 secs Computing kpt #: 134 total cpu time spent up to now is 13.6 secs Computing kpt #: 135 total cpu time spent up to now is 13.6 secs Computing kpt #: 136 total cpu time spent up to now is 13.7 secs Computing kpt #: 137 total cpu time spent up to now is 13.8 secs Computing kpt #: 138 total cpu time spent up to now is 13.9 secs Computing kpt #: 139 total cpu time spent up to now is 13.9 secs Computing kpt #: 140 total cpu time spent up to now is 14.0 secs Computing kpt #: 141 total cpu time spent up to now is 14.1 secs Computing 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total cpu time spent up to now is 17.9 secs Computing kpt #: 189 total cpu time spent up to now is 18.0 secs Computing kpt #: 190 total cpu time spent up to now is 18.1 secs Computing kpt #: 191 total cpu time spent up to now is 18.1 secs Computing kpt #: 192 total cpu time spent up to now is 18.2 secs Computing kpt #: 193 total cpu time spent up to now is 18.3 secs Computing kpt #: 194 total cpu time spent up to now is 18.3 secs Computing kpt #: 195 total cpu time spent up to now is 18.4 secs Computing kpt #: 196 total cpu time spent up to now is 18.5 secs Computing kpt #: 197 total cpu time spent up to now is 18.6 secs Computing kpt #: 198 total cpu time spent up to now is 18.6 secs Computing kpt #: 199 total cpu time spent up to now is 18.7 secs Computing kpt #: 200 total cpu time spent up to now is 18.8 secs Computing kpt #: 201 total cpu time spent up to now is 18.9 secs Computing kpt #: 202 total cpu time spent up to now is 18.9 secs Computing kpt #: 203 total cpu time spent up 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Computing kpt #: 219 total cpu time spent up to now is 20.2 secs Computing kpt #: 220 total cpu time spent up to now is 20.3 secs Computing kpt #: 221 total cpu time spent up to now is 20.4 secs Computing kpt #: 222 total cpu time spent up to now is 20.4 secs Computing kpt #: 223 total cpu time spent up to now is 20.5 secs Computing kpt #: 224 total cpu time spent up to now is 20.6 secs Computing kpt #: 225 total cpu time spent up to now is 20.6 secs Computing kpt #: 226 total cpu time spent up to now is 20.7 secs Computing kpt #: 227 total cpu time spent up to now is 20.8 secs Computing kpt #: 228 total cpu time spent up to now is 20.9 secs Computing kpt #: 229 total cpu time spent up to now is 20.9 secs Computing kpt #: 230 total cpu time spent up to now is 21.0 secs Computing kpt #: 231 total cpu time spent up to now is 21.1 secs Computing kpt #: 232 total cpu time spent up to now is 21.2 secs Computing kpt #: 233 total cpu time spent up to now is 21.2 secs Computing kpt #: 234 total cpu time spent up to now is 21.3 secs Computing kpt #: 235 total cpu time spent up to now is 21.4 secs Computing kpt #: 236 total cpu time spent up to now is 21.4 secs Computing kpt #: 237 total cpu time spent up to now is 21.5 secs Computing kpt #: 238 total cpu time spent up to now is 21.6 secs Computing kpt #: 239 total cpu time spent up to now is 21.6 secs Computing kpt #: 240 total cpu time spent up to now is 21.7 secs Computing kpt #: 241 total cpu time spent up to now is 21.8 secs Computing kpt #: 242 total cpu time spent up to now is 21.9 secs Computing kpt #: 243 total cpu time spent up to now is 21.9 secs Computing kpt #: 244 total cpu time spent up to now is 22.0 secs Computing kpt #: 245 total cpu time spent up to now is 22.1 secs Computing kpt #: 246 total cpu time spent up to now is 22.1 secs Computing kpt #: 247 total cpu time spent up to now is 22.2 secs Computing kpt #: 248 total cpu time spent up to now is 22.3 secs Computing kpt #: 249 total cpu time spent up to now is 22.4 secs Computing kpt #: 250 total cpu time spent up to now is 22.4 secs Computing kpt #: 251 total cpu time spent up to now is 22.5 secs Computing kpt #: 252 total cpu time spent up to now is 22.6 secs Computing kpt #: 253 total cpu time spent up to now is 22.7 secs Computing kpt #: 254 total cpu time spent up to now is 22.7 secs Computing kpt #: 255 total cpu time spent up to now is 22.8 secs Computing kpt #: 256 total cpu time spent up to now is 22.9 secs Computing kpt #: 257 total cpu time spent up to now is 22.9 secs Computing kpt #: 258 total cpu time spent up to now is 23.0 secs Computing kpt #: 259 total cpu time spent up to now is 23.1 secs Computing kpt #: 260 total cpu time spent up to now is 23.2 secs Computing kpt #: 261 total cpu time spent up to now is 23.2 secs Computing kpt #: 262 total cpu time spent up to now is 23.3 secs Computing kpt #: 263 total cpu time spent up to now is 23.4 secs Computing kpt #: 264 total cpu time spent up to now is 23.5 secs Computing kpt #: 265 total cpu time spent up to now is 23.5 secs Computing kpt #: 266 total cpu time spent up to now is 23.6 secs Computing kpt #: 267 total cpu time spent up to now is 23.7 secs Computing kpt #: 268 total cpu time spent up to now is 23.7 secs Computing kpt #: 269 total cpu time spent up to now is 23.8 secs Computing kpt #: 270 total cpu time spent up to now is 23.9 secs Computing kpt #: 271 total cpu time spent up to now is 23.9 secs Computing kpt #: 272 total cpu time spent up to now is 24.0 secs Computing kpt #: 273 total cpu time spent up to now is 24.1 secs Computing kpt #: 274 total cpu time spent up to now is 24.2 secs Computing kpt #: 275 total cpu time spent up to now is 24.2 secs Computing kpt #: 276 total cpu time spent up to now is 24.3 secs Computing kpt #: 277 total cpu time spent up to now is 24.4 secs Computing kpt #: 278 total cpu time spent up to now is 24.5 secs Computing kpt #: 279 total cpu time spent up to now is 24.5 secs Computing kpt #: 280 total cpu time spent up to now is 24.6 secs Computing kpt #: 281 total cpu time spent up to now is 24.7 secs Computing kpt #: 282 total cpu time spent up to now is 24.8 secs Computing kpt #: 283 total cpu time spent up to now is 24.8 secs Computing kpt #: 284 total cpu time spent up to now is 24.9 secs Computing kpt #: 285 total cpu time spent up to now is 25.0 secs Computing kpt #: 286 total cpu time spent up to now is 25.0 secs Computing kpt #: 287 total cpu time spent up to now is 25.1 secs Computing kpt #: 288 total cpu time spent up to now is 25.2 secs Computing kpt #: 289 total cpu time spent up to now is 25.3 secs Computing kpt #: 290 total cpu time spent up to now is 25.3 secs Computing kpt #: 291 total cpu time spent up to now is 25.4 secs Computing kpt #: 292 total cpu time spent up to now is 25.5 secs Computing kpt #: 293 total cpu time spent up to now is 25.5 secs Computing kpt #: 294 total cpu time spent up to now is 25.6 secs Computing kpt #: 295 total cpu time spent up to now is 25.7 secs Computing kpt #: 296 total cpu time spent up to now is 25.7 secs Computing kpt #: 297 total cpu time spent up to now is 25.8 secs Computing kpt #: 298 total cpu time spent up to now is 25.9 secs Computing kpt #: 299 total cpu time spent up to now is 26.0 secs Computing kpt #: 300 total cpu time spent up to now is 26.0 secs Computing kpt #: 301 total cpu time spent up to now is 26.1 secs Computing kpt #: 302 total cpu time spent up to now is 26.2 secs Computing kpt #: 303 total cpu time spent up to now is 26.3 secs Computing kpt #: 304 total cpu time spent up to now is 26.3 secs Computing kpt #: 305 total cpu time spent up to now is 26.4 secs Computing kpt #: 306 total cpu time spent up to now is 26.5 secs Computing kpt #: 307 total cpu time spent up to now is 26.6 secs Computing kpt #: 308 total cpu time spent up to now is 26.6 secs Computing kpt #: 309 total cpu time spent up to now is 26.7 secs Computing kpt #: 310 total cpu time spent up to now is 26.8 secs Computing kpt #: 311 total cpu time spent up to now is 26.9 secs Computing kpt #: 312 total cpu time spent up to now is 27.0 secs Computing kpt #: 313 total cpu time spent up to now is 27.0 secs Computing kpt #: 314 total cpu time spent up to now is 27.1 secs Computing kpt #: 315 total cpu time spent up to now is 27.2 secs Computing kpt #: 316 total cpu time spent up to now is 27.3 secs Computing kpt #: 317 total cpu time spent up to now is 27.3 secs Computing kpt #: 318 total cpu time spent up to now is 27.4 secs Computing kpt #: 319 total cpu time spent up to now is 27.5 secs Computing kpt #: 320 total cpu time spent up to now is 27.6 secs Computing kpt #: 321 total cpu time spent up to now is 27.6 secs Computing kpt #: 322 total cpu time spent up to now is 27.7 secs Computing kpt #: 323 total cpu time spent up to now is 27.8 secs Computing kpt #: 324 total cpu time spent up to now is 27.9 secs Computing kpt #: 325 total cpu time spent up to now is 28.0 secs Computing kpt #: 326 total cpu time spent up to now is 28.0 secs Computing kpt #: 327 total cpu time spent up to now is 28.1 secs Computing kpt #: 328 total cpu time spent up to now is 28.2 secs Computing kpt #: 329 total cpu time spent up to now is 28.3 secs Computing kpt #: 330 total cpu time spent up to now is 28.3 secs Computing kpt #: 331 total cpu time spent up to now is 28.4 secs Computing kpt #: 332 total cpu time spent up to now is 28.5 secs Computing kpt #: 333 total cpu time spent up to now is 28.6 secs Computing kpt #: 334 total cpu time spent up to now is 28.6 secs Computing kpt #: 335 total cpu time spent up to now is 28.7 secs Computing kpt #: 336 total cpu time spent up to now is 28.8 secs Computing kpt #: 337 total cpu time spent up to now is 28.9 secs Computing kpt #: 338 total cpu time spent up to now is 28.9 secs Computing kpt #: 339 total cpu time spent up to now is 29.0 secs Computing kpt #: 340 total cpu time spent up to now is 29.1 secs Computing kpt #: 341 total cpu time spent up to now is 29.1 secs Computing kpt #: 342 total cpu time spent up to now is 29.2 secs Computing kpt #: 343 total cpu time spent up to now is 29.3 secs Computing kpt #: 344 total cpu time spent up to now is 29.3 secs Computing kpt #: 345 total cpu time spent up to now is 29.4 secs Computing kpt #: 346 total cpu time spent up to now is 29.5 secs Computing kpt #: 347 total cpu time spent up to now is 29.5 secs Computing kpt #: 348 total cpu time spent up to now is 29.6 secs Computing kpt #: 349 total cpu time spent up to now is 29.7 secs Computing kpt #: 350 total cpu time spent up to now is 29.7 secs Computing kpt #: 351 total cpu time spent up to now is 29.8 secs Computing kpt #: 352 total cpu time spent up to now is 29.9 secs Computing kpt #: 353 total cpu time spent up to now is 29.9 secs Computing kpt #: 354 total cpu time spent up to now is 30.0 secs Computing kpt #: 355 total cpu time spent up to now is 30.0 secs Computing kpt #: 356 total cpu time spent up to now is 30.1 secs Computing kpt #: 357 total cpu time spent up to now is 30.2 secs Computing kpt #: 358 total cpu time spent up to now is 30.2 secs Computing kpt #: 359 total cpu time spent up to now is 30.3 secs Computing kpt #: 360 total cpu time spent up to now is 30.3 secs Computing kpt #: 361 total cpu time spent up to now is 30.4 secs Computing kpt #: 362 total cpu time spent up to now is 30.5 secs Computing kpt #: 363 total cpu time spent up to now is 30.5 secs Computing kpt #: 364 total cpu time spent up to now is 30.6 secs Computing kpt #: 365 total cpu time spent up to now is 30.7 secs Computing kpt #: 366 total cpu time spent up to now is 30.7 secs Computing kpt #: 367 total cpu time spent up to now is 30.8 secs Computing kpt #: 368 total cpu time spent up to now is 30.9 secs Computing kpt #: 369 total cpu time spent up to now is 30.9 secs Computing kpt #: 370 total cpu time spent up to now is 31.0 secs Computing kpt #: 371 total cpu time spent up to now is 31.1 secs Computing kpt #: 372 total cpu time spent up to now is 31.1 secs Computing kpt #: 373 total cpu time spent up to now is 31.2 secs Computing kpt #: 374 total cpu time spent up to now is 31.3 secs Computing kpt #: 375 total cpu time spent up to now is 31.3 secs Computing kpt #: 376 total cpu time spent up to now is 31.4 secs Computing kpt #: 377 total cpu time spent up to now is 31.5 secs Computing kpt #: 378 total cpu time spent up to now is 31.5 secs Computing kpt #: 379 total cpu time spent up to now is 31.6 secs Computing kpt #: 380 total cpu time spent up to now is 31.7 secs Computing kpt #: 381 total cpu time spent up to now is 31.7 secs Computing kpt #: 382 total cpu time spent up to now is 31.8 secs Computing kpt #: 383 total cpu time spent up to now is 31.9 secs Computing kpt #: 384 total cpu time spent up to now is 31.9 secs Computing kpt #: 385 total cpu time spent up to now is 32.0 secs Computing kpt #: 386 total cpu time spent up to now is 32.0 secs Computing kpt #: 387 total cpu time spent up to now is 32.1 secs Computing kpt #: 388 total cpu time spent up to now is 32.2 secs Computing kpt #: 389 total cpu time spent up to now is 32.2 secs Computing kpt #: 390 total cpu time spent up to now is 32.3 secs Computing kpt #: 391 total cpu time spent up to now is 32.4 secs Computing kpt #: 392 total cpu time spent up to now is 32.5 secs Computing kpt #: 393 total cpu time spent up to now is 32.5 secs Computing kpt #: 394 total cpu time spent up to now is 32.6 secs Computing kpt #: 395 total cpu time spent up to now is 32.7 secs Computing kpt #: 396 total cpu time spent up to now is 32.7 secs Computing kpt #: 397 total cpu time spent up to now is 32.8 secs Computing kpt #: 398 total cpu time spent up to now is 32.9 secs Computing kpt #: 399 total cpu time spent up to now is 32.9 secs Computing kpt #: 400 total cpu time spent up to now is 33.0 secs Computing kpt #: 401 total cpu time spent up to now is 33.1 secs Computing kpt #: 402 total cpu time spent up to now is 33.1 secs Computing kpt #: 403 total cpu time spent up to now is 33.2 secs Computing kpt #: 404 total cpu time spent up to now is 33.3 secs Computing kpt #: 405 total cpu time spent up to now is 33.4 secs Computing kpt #: 406 total cpu time spent up to now is 33.4 secs Computing kpt #: 407 total cpu time spent up to now is 33.5 secs Computing kpt #: 408 total cpu time spent up to now is 33.6 secs Computing kpt #: 409 total cpu time spent up to now is 33.6 secs Computing kpt #: 410 total cpu time spent up to now is 33.7 secs Computing kpt #: 411 total cpu time spent up to now is 33.8 secs Computing kpt #: 412 total cpu time spent up to now is 33.9 secs Computing kpt #: 413 total cpu time spent up to now is 33.9 secs Computing kpt #: 414 total cpu time spent up to now is 34.0 secs Computing kpt #: 415 total cpu time spent up to now is 34.1 secs Computing kpt #: 416 total cpu time spent up to now is 34.1 secs Computing kpt #: 417 total cpu time spent up to now is 34.2 secs Computing kpt #: 418 total cpu time spent up to now is 34.3 secs Computing kpt #: 419 total cpu time spent up to now is 34.4 secs Computing kpt #: 420 total cpu time spent up to now is 34.4 secs Computing kpt #: 421 total cpu time spent up to now is 34.5 secs Computing kpt #: 422 total cpu time spent up to now is 34.6 secs Computing kpt #: 423 total cpu time spent up to now is 34.6 secs Computing kpt #: 424 total cpu time spent up to now is 34.7 secs Computing kpt #: 425 total cpu time spent up to now is 34.8 secs Computing kpt #: 426 total cpu time spent up to now is 34.9 secs Computing kpt #: 427 total cpu time spent up to now is 34.9 secs Computing kpt #: 428 total cpu time spent up to now is 35.0 secs Computing kpt #: 429 total cpu time spent up to now is 35.1 secs Computing kpt #: 430 total cpu time spent up to now is 35.1 secs Computing kpt #: 431 total cpu time spent up to now is 35.2 secs Computing kpt #: 432 total cpu time spent up to now is 35.3 secs Computing kpt #: 433 total cpu time spent up to now is 35.4 secs Computing kpt #: 434 total cpu time spent up to now is 35.5 secs Computing kpt #: 435 total cpu time spent up to now is 35.5 secs Computing kpt #: 436 total cpu time spent up to now is 35.6 secs Computing kpt #: 437 total cpu time spent up to now is 35.7 secs Computing kpt #: 438 total cpu time spent up to now is 35.8 secs Computing kpt #: 439 total cpu time spent up to now is 35.9 secs Computing kpt #: 440 total cpu time spent up to now is 35.9 secs Computing kpt #: 441 total cpu time spent up to now is 36.0 secs Computing kpt #: 442 total cpu time spent up to now is 36.1 secs Computing kpt #: 443 total cpu time spent up to now is 36.2 secs Computing kpt #: 444 total cpu time spent up to now is 36.2 secs Computing kpt #: 445 total cpu time spent up to now is 36.3 secs Computing kpt #: 446 total cpu time spent up to now is 36.4 secs Computing kpt #: 447 total cpu time spent up to now is 36.5 secs Computing kpt #: 448 total cpu time spent up to now is 36.5 secs Computing kpt #: 449 total cpu time spent up to now is 36.6 secs Computing kpt #: 450 total cpu time spent up to now is 36.7 secs Computing kpt #: 451 total cpu time spent up to now is 36.8 secs Computing kpt #: 452 total cpu time spent up to now is 36.8 secs Computing kpt #: 453 total cpu time spent up to now is 36.9 secs Computing kpt #: 454 total cpu time spent up to now is 37.0 secs Computing kpt #: 455 total cpu time spent up to now is 37.1 secs Computing kpt #: 456 total cpu time spent up to now is 37.2 secs Computing kpt #: 457 total cpu time spent up to now is 37.2 secs Computing kpt #: 458 total cpu time spent up to now is 37.3 secs Computing kpt #: 459 total cpu time spent up to now is 37.4 secs Computing kpt #: 460 total cpu time spent up to now is 37.5 secs Computing kpt #: 461 total cpu time spent up to now is 37.5 secs Computing kpt #: 462 total cpu time spent up to now is 37.6 secs Computing kpt #: 463 total cpu time spent up to now is 37.7 secs Computing kpt #: 464 total cpu time spent up to now is 37.8 secs Computing kpt #: 465 total cpu time spent up to now is 37.8 secs Computing kpt #: 466 total cpu time spent up to now is 37.9 secs Computing kpt #: 467 total cpu time spent up to now is 38.0 secs Computing kpt #: 468 total cpu time spent up to now is 38.1 secs Computing kpt #: 469 total cpu time spent up to now is 38.1 secs Computing kpt #: 470 total cpu time spent up to now is 38.2 secs Computing kpt #: 471 total cpu time spent up to now is 38.3 secs Computing kpt #: 472 total cpu time spent up to now is 38.4 secs Computing kpt #: 473 total cpu time spent up to now is 38.5 secs Computing kpt #: 474 total cpu time spent up to now is 38.5 secs Computing kpt #: 475 total cpu time spent up to now is 38.6 secs Computing kpt #: 476 total cpu time spent up to now is 38.7 secs Computing kpt #: 477 total cpu time spent up to now is 38.8 secs Computing kpt #: 478 total cpu time spent up to now is 38.9 secs Computing kpt #: 479 total cpu time spent up to now is 39.0 secs Computing kpt #: 480 total cpu time spent up to now is 39.1 secs Computing kpt #: 481 total cpu time spent up to now is 39.2 secs ethr = 6.25E-08, avg # of iterations = 13.5 total cpu time spent up to now is 39.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1037 PWs) bands (ev): -65.6483 -65.6483 -32.5667 -32.5667 -32.2784 -32.2784 -32.2784 -32.2784 -9.9598 -9.9598 6.8963 6.8963 6.9332 6.9332 6.9332 6.9332 10.9661 10.9661 22.3281 22.3281 22.3281 22.3281 22.3281 22.3281 k = 0.0068-0.0040 0.0056 ( 1037 PWs) bands (ev): -65.6483 -65.6483 -32.5667 -32.5667 -32.2784 -32.2784 -32.2784 -32.2784 -9.9592 -9.9592 6.8944 6.8944 6.9303 6.9303 6.9325 6.9325 10.9708 10.9708 22.3164 22.3164 22.3294 22.3294 22.3294 22.3294 k = 0.0137-0.0079 0.0112 ( 1038 PWs) bands (ev): -65.6483 -65.6483 -32.5667 -32.5667 -32.2785 -32.2785 -32.2784 -32.2784 -9.9574 -9.9574 6.8879 6.8879 6.9226 6.9226 6.9305 6.9305 10.9849 10.9849 22.2819 22.2819 22.3333 22.3333 22.3333 22.3333 k = 0.0205-0.0119 0.0168 ( 1030 PWs) bands (ev): -65.6482 -65.6482 -32.5668 -32.5668 -32.2785 -32.2785 -32.2784 -32.2784 -9.9544 -9.9544 6.8742 6.8742 6.9131 6.9131 6.9272 6.9272 11.0082 11.0082 22.2261 22.2261 22.3401 22.3401 22.3403 22.3403 k = 0.0274-0.0158 0.0224 ( 1030 PWs) bands (ev): -65.6482 -65.6482 -32.5669 -32.5669 -32.2787 -32.2787 -32.2785 -32.2785 -9.9502 -9.9502 6.8506 6.8506 6.9041 6.9041 6.9224 6.9224 11.0404 11.0404 22.1513 22.1513 22.3492 22.3492 22.3495 22.3495 k = 0.0342-0.0198 0.0280 ( 1022 PWs) bands (ev): -65.6482 -65.6482 -32.5669 -32.5669 -32.2788 -32.2788 -32.2785 -32.2785 -9.9448 -9.9448 6.8178 6.8178 6.8958 6.8958 6.9164 6.9164 11.0812 11.0812 22.0603 22.0603 22.3610 22.3610 22.3615 22.3615 k = 0.0411-0.0237 0.0336 ( 1022 PWs) bands (ev): -65.6481 -65.6481 -32.5671 -32.5671 -32.2790 -32.2790 -32.2786 -32.2786 -9.9382 -9.9382 6.7772 6.7772 6.8871 6.8871 6.9090 6.9090 11.1299 11.1299 21.9554 21.9554 22.3751 22.3751 22.3758 22.3758 k = 0.0479-0.0277 0.0391 ( 1014 PWs) bands (ev): -65.6481 -65.6481 -32.5673 -32.5673 -32.2793 -32.2793 -32.2787 -32.2787 -9.9304 -9.9304 6.7298 6.7298 6.8778 6.8778 6.9004 6.9004 11.1862 11.1862 21.8395 21.8395 22.3918 22.3918 22.3928 22.3928 k = 0.0548-0.0316 0.0447 ( 1014 PWs) bands (ev): -65.6480 -65.6480 -32.5675 -32.5675 -32.2796 -32.2796 -32.2788 -32.2788 -9.9215 -9.9215 6.6763 6.6763 6.8673 6.8673 6.8904 6.8904 11.2494 11.2494 21.7145 21.7145 22.4109 22.4109 22.4121 22.4121 k = 0.0616-0.0356 0.0503 ( 1014 PWs) bands (ev): -65.6480 -65.6480 -32.5677 -32.5677 -32.2800 -32.2800 -32.2790 -32.2790 -9.9115 -9.9115 6.6176 6.6176 6.8558 6.8558 6.8791 6.8791 11.3191 11.3191 21.5826 21.5826 22.4322 22.4322 22.4338 22.4338 k = 0.0685-0.0395 0.0559 ( 1014 PWs) bands (ev): -65.6479 -65.6479 -32.5680 -32.5680 -32.2804 -32.2804 -32.2792 -32.2792 -9.9003 -9.9003 6.5541 6.5541 6.8431 6.8431 6.8667 6.8667 11.3946 11.3946 21.4454 21.4454 22.4559 22.4559 22.4578 22.4578 k = 0.0753-0.0435 0.0615 ( 1014 PWs) bands (ev): -65.6478 -65.6478 -32.5683 -32.5683 -32.2808 -32.2808 -32.2794 -32.2794 -9.8880 -9.8880 6.4865 6.4865 6.8294 6.8294 6.8530 6.8530 11.4755 11.4755 21.3042 21.3042 22.4818 22.4818 22.4841 22.4841 k = 0.0822-0.0475 0.0671 ( 1014 PWs) bands (ev): -65.6477 -65.6477 -32.5687 -32.5687 -32.2813 -32.2813 -32.2796 -32.2796 -9.8746 -9.8746 6.4153 6.4153 6.8145 6.8145 6.8383 6.8383 11.5612 11.5612 21.1602 21.1602 22.5098 22.5098 22.5125 22.5126 k = 0.0890-0.0514 0.0727 ( 1014 PWs) bands (ev): -65.6477 -65.6477 -32.5690 -32.5690 -32.2818 -32.2818 -32.2798 -32.2798 -9.8602 -9.8602 6.3409 6.3409 6.7986 6.7986 6.8224 6.8224 11.6513 11.6513 21.0143 21.0143 22.5399 22.5399 22.5431 22.5431 k = 0.0959-0.0554 0.0783 ( 1014 PWs) bands (ev): -65.6476 -65.6476 -32.5694 -32.5694 -32.2824 -32.2824 -32.2801 -32.2801 -9.8447 -9.8447 6.2640 6.2640 6.7816 6.7816 6.8055 6.8055 11.7452 11.7452 20.8672 20.8672 22.5720 22.5720 22.5757 22.5757 k = 0.1027-0.0593 0.0839 ( 1014 PWs) bands (ev): -65.6475 -65.6475 -32.5699 -32.5699 -32.2829 -32.2829 -32.2804 -32.2804 -9.8282 -9.8282 6.1848 6.1848 6.7636 6.7636 6.7875 6.7875 11.8427 11.8427 20.7195 20.7195 22.6060 22.6060 22.6102 22.6102 k = 0.1096-0.0633 0.0895 ( 1010 PWs) bands (ev): -65.6473 -65.6473 -32.5703 -32.5703 -32.2835 -32.2835 -32.2806 -32.2806 -9.8108 -9.8108 6.1038 6.1038 6.7448 6.7448 6.7687 6.7687 11.9432 11.9432 20.5719 20.5719 22.6419 22.6419 22.6467 22.6467 k = 0.1164-0.0672 0.0951 ( 1014 PWs) bands (ev): -65.6472 -65.6472 -32.5708 -32.5708 -32.2842 -32.2842 -32.2809 -32.2809 -9.7924 -9.7924 6.0213 6.0213 6.7250 6.7250 6.7489 6.7489 12.0465 12.0465 20.4246 20.4246 22.6794 22.6794 22.6848 22.6848 k = 0.1233-0.0712 0.1007 ( 1010 PWs) bands (ev): -65.6471 -65.6471 -32.5712 -32.5712 -32.2849 -32.2849 -32.2812 -32.2812 -9.7730 -9.7730 5.9377 5.9377 6.7044 6.7044 6.7283 6.7283 12.1522 12.1522 20.2782 20.2782 22.7186 22.7186 22.7246 22.7246 k = 0.1301-0.0751 0.1063 ( 1010 PWs) bands (ev): -65.6470 -65.6470 -32.5717 -32.5717 -32.2856 -32.2856 -32.2815 -32.2815 -9.7528 -9.7528 5.8532 5.8532 6.6830 6.6830 6.7069 6.7069 12.2600 12.2600 20.1328 20.1328 22.7593 22.7593 22.7659 22.7659 k = 0.1370-0.0791 0.1118 ( 1010 PWs) bands (ev): -65.6469 -65.6469 -32.5723 -32.5723 -32.2863 -32.2863 -32.2819 -32.2819 -9.7318 -9.7318 5.7681 5.7681 6.6608 6.6608 6.6847 6.6847 12.3697 12.3697 19.9886 19.9886 22.8014 22.8014 22.8086 22.8086 k = 0.1438-0.0830 0.1174 ( 1018 PWs) bands (ev): -65.6468 -65.6468 -32.5729 -32.5729 -32.2871 -32.2871 -32.2823 -32.2823 -9.7099 -9.7099 5.6826 5.6826 6.6380 6.6380 6.6618 6.6618 12.4809 12.4809 19.8459 19.8459 22.8448 22.8448 22.8527 22.8527 k = 0.1507-0.0870 0.1230 ( 1018 PWs) bands (ev): -65.6466 -65.6466 -32.5734 -32.5734 -32.2879 -32.2879 -32.2826 -32.2826 -9.6872 -9.6872 5.5970 5.5970 6.6145 6.6145 6.6383 6.6383 12.5936 12.5936 19.7049 19.7049 22.8894 22.8894 22.8981 22.8981 k = 0.1575-0.0910 0.1286 ( 1018 PWs) bands (ev): -65.6465 -65.6465 -32.5740 -32.5740 -32.2887 -32.2887 -32.2830 -32.2830 -9.6639 -9.6639 5.5116 5.5116 6.5904 6.5904 6.6142 6.6142 12.7073 12.7073 19.5657 19.5657 22.9352 22.9352 22.9445 22.9445 k = 0.1644-0.0949 0.1342 ( 1018 PWs) bands (ev): -65.6463 -65.6463 -32.5746 -32.5746 -32.2896 -32.2896 -32.2834 -32.2834 -9.6398 -9.6398 5.4264 5.4264 6.5658 6.5658 6.5896 6.5896 12.8220 12.8220 19.4285 19.4285 22.9819 22.9819 22.9920 22.9920 k = 0.1712-0.0989 0.1398 ( 1018 PWs) bands (ev): -65.6462 -65.6462 -32.5752 -32.5752 -32.2904 -32.2904 -32.2838 -32.2838 -9.6151 -9.6151 5.3416 5.3416 6.5408 6.5408 6.5645 6.5645 12.9375 12.9375 19.2933 19.2933 23.0296 23.0296 23.0405 23.0405 k = 0.1781-0.1028 0.1454 ( 1018 PWs) bands (ev): -65.6460 -65.6460 -32.5759 -32.5759 -32.2913 -32.2913 -32.2842 -32.2842 -9.5898 -9.5898 5.2574 5.2574 6.5154 6.5154 6.5390 6.5390 13.0535 13.0535 19.1603 19.1603 23.0781 23.0781 23.0897 23.0897 k = 0.1849-0.1068 0.1510 ( 1018 PWs) bands (ev): -65.6459 -65.6459 -32.5765 -32.5765 -32.2921 -32.2921 -32.2846 -32.2846 -9.5639 -9.5639 5.1740 5.1740 6.4896 6.4896 6.5132 6.5132 13.1699 13.1699 19.0296 19.0296 23.1270 23.1270 23.1397 23.1397 k = 0.1918-0.1107 0.1566 ( 1026 PWs) bands (ev): -65.6457 -65.6457 -32.5772 -32.5772 -32.2931 -32.2931 -32.2851 -32.2851 -9.5376 -9.5376 5.0914 5.0914 6.4634 6.4634 6.4871 6.4871 13.2865 13.2865 18.9012 18.9012 23.0940 23.0940 23.1781 23.1781 k = 0.1986-0.1147 0.1622 ( 1026 PWs) bands (ev): -65.6456 -65.6456 -32.5779 -32.5779 -32.2940 -32.2940 -32.2856 -32.2856 -9.5107 -9.5107 5.0098 5.0098 6.4371 6.4371 6.4607 6.4607 13.4031 13.4031 18.7752 18.7752 22.9127 22.9127 23.2279 23.2280 k = 0.2055-0.1186 0.1678 ( 1026 PWs) bands (ev): -65.6454 -65.6454 -32.5786 -32.5786 -32.2949 -32.2949 -32.2860 -32.2860 -9.4835 -9.4835 4.9293 4.9293 6.4106 6.4106 6.4342 6.4342 13.5196 13.5196 18.6517 18.6517 22.7331 22.7331 23.2787 23.2787 k = 0.2123-0.1226 0.1734 ( 1026 PWs) bands (ev): -65.6453 -65.6453 -32.5793 -32.5793 -32.2958 -32.2958 -32.2864 -32.2864 -9.4559 -9.4559 4.8499 4.8499 6.3839 6.3839 6.4075 6.4075 13.6358 13.6358 18.5307 18.5307 22.5555 22.5555 23.3303 23.3303 k = 0.2192-0.1265 0.1790 ( 1030 PWs) bands (ev): -65.6451 -65.6451 -32.5800 -32.5800 -32.2968 -32.2968 -32.2869 -32.2869 -9.4279 -9.4279 4.7719 4.7719 6.3572 6.3572 6.3807 6.3807 13.7516 13.7516 18.4121 18.4121 22.3809 22.3809 23.3817 23.3818 k = 0.2260-0.1305 0.1846 ( 1030 PWs) bands (ev): -65.6449 -65.6449 -32.5807 -32.5807 -32.2977 -32.2977 -32.2873 -32.2873 -9.3998 -9.3998 4.6954 4.6954 6.3305 6.3305 6.3539 6.3539 13.8668 13.8668 18.2962 18.2962 22.2092 22.2092 23.4334 23.4334 k = 0.2329-0.1345 0.1901 ( 1022 PWs) bands (ev): -65.6448 -65.6448 -32.5813 -32.5813 -32.2985 -32.2985 -32.2878 -32.2878 -9.3714 -9.3714 4.6203 4.6203 6.3038 6.3038 6.3272 6.3272 13.9813 13.9813 18.1829 18.1829 22.0415 22.0415 23.4852 23.4853 k = 0.2397-0.1384 0.1957 ( 1022 PWs) bands (ev): -65.6446 -65.6446 -32.5820 -32.5820 -32.2994 -32.2994 -32.2882 -32.2882 -9.3429 -9.3429 4.5467 4.5467 6.2771 6.2771 6.3005 6.3005 14.0948 14.0948 18.0723 18.0723 21.8761 21.8761 23.5369 23.5369 k = 0.2466-0.1424 0.2013 ( 1022 PWs) bands (ev): -65.6444 -65.6444 -32.5827 -32.5827 -32.3004 -32.3004 -32.2887 -32.2887 -9.3143 -9.3143 4.4747 4.4747 6.2506 6.2506 6.2739 6.2739 14.2072 14.2072 17.9643 17.9643 21.7142 21.7142 23.5885 23.5885 k = 0.2534-0.1463 0.2069 ( 1022 PWs) bands (ev): -65.6442 -65.6442 -32.5834 -32.5834 -32.3013 -32.3013 -32.2892 -32.2892 -9.2856 -9.2856 4.4044 4.4044 6.2242 6.2242 6.2476 6.2476 14.3182 14.3182 17.8590 17.8590 21.5558 21.5558 23.6400 23.6401 k = 0.2603-0.1503 0.2125 ( 1022 PWs) bands (ev): -65.6441 -65.6441 -32.5841 -32.5841 -32.3022 -32.3022 -32.2896 -32.2896 -9.2569 -9.2569 4.3358 4.3358 6.1981 6.1981 6.2214 6.2214 14.4278 14.4278 17.7564 17.7564 21.4013 21.4013 23.6912 23.6912 k = 0.2671-0.1542 0.2181 ( 1022 PWs) bands (ev): -65.6439 -65.6439 -32.5848 -32.5848 -32.3031 -32.3031 -32.2901 -32.2901 -9.2283 -9.2283 4.2690 4.2690 6.1722 6.1722 6.1955 6.1955 14.5357 14.5357 17.6566 17.6566 21.2508 21.2508 23.7421 23.7422 k = 0.2740-0.1582 0.2237 ( 1022 PWs) bands (ev): -65.6437 -65.6437 -32.5855 -32.5855 -32.3040 -32.3040 -32.2906 -32.2906 -9.1999 -9.1999 4.2040 4.2040 6.1466 6.1466 6.1699 6.1699 14.6417 14.6417 17.5596 17.5596 21.1045 21.1045 23.7927 23.7928 k = 0.2808-0.1621 0.2293 ( 1030 PWs) bands (ev): -65.6436 -65.6436 -32.5862 -32.5862 -32.3049 -32.3049 -32.2911 -32.2911 -9.1716 -9.1716 4.1408 4.1408 6.1213 6.1213 6.1445 6.1445 14.7457 14.7457 17.4653 17.4653 20.9623 20.9623 23.8428 23.8428 k = 0.2877-0.1661 0.2349 ( 1030 PWs) bands (ev): -65.6434 -65.6434 -32.5869 -32.5869 -32.3058 -32.3058 -32.2915 -32.2915 -9.1435 -9.1435 4.0796 4.0796 6.0964 6.0964 6.1196 6.1196 14.8473 14.8473 17.3738 17.3738 20.8251 20.8251 23.8923 23.8923 k = 0.2945-0.1700 0.2405 ( 1030 PWs) bands (ev): -65.6433 -65.6433 -32.5876 -32.5876 -32.3066 -32.3066 -32.2920 -32.2920 -9.1157 -9.1157 4.0203 4.0203 6.0720 6.0720 6.0952 6.0952 14.9464 14.9464 17.2851 17.2851 20.6927 20.6927 23.9412 23.9412 k = 0.3014-0.1740 0.2461 ( 1030 PWs) bands (ev): -65.6431 -65.6431 -32.5882 -32.5882 -32.3075 -32.3075 -32.2924 -32.2924 -9.0882 -9.0882 3.9629 3.9629 6.0480 6.0480 6.0712 6.0712 15.0427 15.0427 17.1993 17.1993 20.5654 20.5654 23.9895 23.9895 k = 0.3082-0.1780 0.2517 ( 1030 PWs) bands (ev): -65.6429 -65.6429 -32.5889 -32.5889 -32.3083 -32.3083 -32.2928 -32.2928 -9.0612 -9.0612 3.9075 3.9075 6.0245 6.0245 6.0477 6.0477 15.1361 15.1361 17.1163 17.1163 20.4434 20.4434 24.0370 24.0370 k = 0.3151-0.1819 0.2573 ( 1030 PWs) bands (ev): -65.6428 -65.6428 -32.5895 -32.5895 -32.3091 -32.3091 -32.2933 -32.2933 -9.0345 -9.0345 3.8541 3.8541 6.0016 6.0016 6.0247 6.0247 15.2261 15.2261 17.0361 17.0361 20.3270 20.3270 24.0837 24.0838 k = 0.3219-0.1859 0.2628 ( 1030 PWs) bands (ev): -65.6426 -65.6426 -32.5901 -32.5901 -32.3099 -32.3099 -32.2937 -32.2937 -9.0084 -9.0084 3.8027 3.8027 5.9792 5.9792 6.0023 6.0023 15.3127 15.3127 16.9588 16.9588 20.2162 20.2162 24.1295 24.1295 k = 0.3288-0.1898 0.2684 ( 1030 PWs) bands (ev): -65.6425 -65.6425 -32.5907 -32.5907 -32.3107 -32.3107 -32.2941 -32.2941 -8.9828 -8.9828 3.7533 3.7533 5.9574 5.9574 5.9805 5.9805 15.3955 15.3955 16.8844 16.8844 20.1114 20.1114 24.1743 24.1743 k = 0.3356-0.1938 0.2740 ( 1030 PWs) bands (ev): -65.6423 -65.6423 -32.5913 -32.5913 -32.3115 -32.3115 -32.2945 -32.2945 -8.9577 -8.9577 3.7060 3.7060 5.9362 5.9362 5.9593 5.9593 15.4743 15.4743 16.8128 16.8128 20.0127 20.0127 24.2181 24.2182 k = 0.3425-0.1977 0.2796 ( 1030 PWs) bands (ev): -65.6422 -65.6422 -32.5919 -32.5919 -32.3122 -32.3122 -32.2949 -32.2949 -8.9333 -8.9333 3.6607 3.6607 5.9157 5.9157 5.9388 5.9388 15.5489 15.5489 16.7441 16.7441 19.9203 19.9203 24.2609 24.2609 k = 0.3493-0.2017 0.2852 ( 1030 PWs) bands (ev): -65.6421 -65.6421 -32.5925 -32.5925 -32.3129 -32.3129 -32.2953 -32.2953 -8.9096 -8.9096 3.6174 3.6174 5.8959 5.8959 5.9190 5.9190 15.6191 15.6191 16.6783 16.6783 19.8342 19.8342 24.3024 24.3024 k = 0.3562-0.2056 0.2908 ( 1030 PWs) bands (ev): -65.6419 -65.6419 -32.5930 -32.5930 -32.3136 -32.3136 -32.2957 -32.2957 -8.8866 -8.8866 3.5761 3.5761 5.8768 5.8768 5.8998 5.8998 15.6846 15.6846 16.6154 16.6154 19.7548 19.7548 24.3427 24.3427 k = 0.3630-0.2096 0.2964 ( 1030 PWs) bands (ev): -65.6418 -65.6418 -32.5936 -32.5936 -32.3142 -32.3142 -32.2960 -32.2960 -8.8644 -8.8644 3.5369 3.5369 5.8584 5.8584 5.8814 5.8814 15.7453 15.7453 16.5553 16.5553 19.6819 19.6819 24.3817 24.3818 k = 0.3699-0.2135 0.3020 ( 1030 PWs) bands (ev): -65.6417 -65.6417 -32.5941 -32.5941 -32.3149 -32.3149 -32.2964 -32.2964 -8.8430 -8.8430 3.4997 3.4997 5.8407 5.8407 5.8638 5.8638 15.8011 15.8011 16.4982 16.4982 19.6157 19.6157 24.4194 24.4194 k = 0.3767-0.2175 0.3076 ( 1034 PWs) bands (ev): -65.6415 -65.6415 -32.5946 -32.5946 -32.3155 -32.3155 -32.2968 -32.2968 -8.8224 -8.8224 3.4645 3.4645 5.8239 5.8239 5.8469 5.8469 15.8519 15.8519 16.4440 16.4440 19.5560 19.5560 24.4554 24.4555 k = 0.3836-0.2214 0.3132 ( 1034 PWs) bands (ev): -65.6414 -65.6414 -32.5951 -32.5951 -32.3161 -32.3161 -32.2971 -32.2971 -8.8027 -8.8027 3.4314 3.4314 5.8078 5.8078 5.8309 5.8309 15.8978 15.8978 16.3926 16.3926 19.5029 19.5029 24.4900 24.4901 k = 0.3904-0.2254 0.3188 ( 1034 PWs) bands (ev): -65.6413 -65.6413 -32.5955 -32.5955 -32.3166 -32.3166 -32.2974 -32.2974 -8.7840 -8.7840 3.4002 3.4002 5.7926 5.7926 5.8156 5.8156 15.9387 15.9387 16.3442 16.3442 19.4561 19.4561 24.5232 24.5233 k = 0.3973-0.2294 0.3244 ( 1034 PWs) bands (ev): -65.6412 -65.6412 -32.5959 -32.5959 -32.3172 -32.3172 -32.2977 -32.2977 -8.7662 -8.7662 3.3710 3.3710 5.7782 5.7782 5.8012 5.8012 15.9748 15.9748 16.2988 16.2988 19.4153 19.4153 24.5547 24.5547 k = 0.4041-0.2333 0.3300 ( 1034 PWs) bands (ev): -65.6411 -65.6411 -32.5963 -32.5963 -32.3177 -32.3177 -32.2979 -32.2979 -8.7494 -8.7494 3.3439 3.3439 5.7646 5.7646 5.7876 5.7876 16.0062 16.0062 16.2562 16.2562 19.3804 19.3804 24.5844 24.5844 k = 0.4110-0.2373 0.3355 ( 1042 PWs) bands (ev): -65.6410 -65.6410 -32.5967 -32.5967 -32.3182 -32.3182 -32.2983 -32.2983 -8.7336 -8.7336 3.3186 3.3186 5.7518 5.7518 5.7748 5.7748 16.0333 16.0333 16.2165 16.2165 19.3508 19.3508 24.6123 24.6123 k = 0.4178-0.2412 0.3411 ( 1042 PWs) bands (ev): -65.6409 -65.6409 -32.5971 -32.5971 -32.3186 -32.3186 -32.2985 -32.2985 -8.7189 -8.7189 3.2953 3.2953 5.7400 5.7400 5.7630 5.7630 16.0562 16.0562 16.1798 16.1798 19.3263 19.3263 24.6386 24.6386 k = 0.4247-0.2452 0.3467 ( 1042 PWs) bands (ev): -65.6409 -65.6409 -32.5974 -32.5974 -32.3190 -32.3190 -32.2987 -32.2987 -8.7052 -8.7052 3.2740 3.2740 5.7290 5.7290 5.7521 5.7521 16.0754 16.0754 16.1460 16.1460 19.3063 19.3063 24.6629 24.6629 k = 0.4315-0.2491 0.3523 ( 1046 PWs) bands (ev): -65.6408 -65.6408 -32.5977 -32.5977 -32.3194 -32.3194 -32.2989 -32.2989 -8.6927 -8.6927 3.2544 3.2544 5.7190 5.7190 5.7420 5.7420 16.0912 16.0912 16.1152 16.1152 19.2903 19.2903 24.6853 24.6853 k = 0.4384-0.2531 0.3579 ( 1046 PWs) bands (ev): -65.6407 -65.6407 -32.5980 -32.5980 -32.3197 -32.3197 -32.2991 -32.2991 -8.6813 -8.6813 3.2369 3.2369 5.7100 5.7100 5.7330 5.7330 16.0873 16.0873 16.1039 16.1039 19.2778 19.2778 24.7057 24.7057 k = 0.4452-0.2570 0.3635 ( 1042 PWs) bands (ev): -65.6407 -65.6407 -32.5982 -32.5982 -32.3200 -32.3200 -32.2993 -32.2993 -8.6710 -8.6710 3.2213 3.2213 5.7018 5.7018 5.7248 5.7248 16.0623 16.0623 16.1141 16.1141 19.2686 19.2686 24.7242 24.7242 k = 0.4521-0.2610 0.3691 ( 1042 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3203 -32.3203 -32.2994 -32.2994 -8.6619 -8.6619 3.2077 3.2077 5.6945 5.6945 5.7175 5.7175 16.0402 16.0402 16.1219 16.1219 19.2611 19.2611 24.7409 24.7409 k = 0.4589-0.2649 0.3747 ( 1042 PWs) bands (ev): -65.6406 -65.6406 -32.5986 -32.5986 -32.3205 -32.3205 -32.2996 -32.2996 -8.6540 -8.6540 3.1958 3.1958 5.6883 5.6883 5.7113 5.7113 16.0211 16.0211 16.1279 16.1279 19.2561 19.2561 24.7552 24.7552 k = 0.4658-0.2689 0.3803 ( 1034 PWs) bands (ev): -65.6405 -65.6405 -32.5987 -32.5987 -32.3206 -32.3206 -32.2997 -32.2997 -8.6472 -8.6472 3.1861 3.1861 5.6829 5.6829 5.7059 5.7059 16.0049 16.0049 16.1324 16.1324 19.2527 19.2527 24.7675 24.7675 k = 0.4726-0.2729 0.3859 ( 1034 PWs) bands (ev): -65.6405 -65.6405 -32.5989 -32.5989 -32.3208 -32.3208 -32.2997 -32.2997 -8.6417 -8.6417 3.1779 3.1779 5.6786 5.6786 5.7016 5.7016 15.9917 15.9917 16.1357 16.1357 19.2505 19.2505 24.7774 24.7774 k = 0.4795-0.2768 0.3915 ( 1034 PWs) bands (ev): -65.6405 -65.6405 -32.5990 -32.5990 -32.3209 -32.3209 -32.2998 -32.2998 -8.6374 -8.6374 3.1715 3.1715 5.6752 5.6752 5.6982 5.6982 15.9814 15.9814 16.1379 16.1379 19.2491 19.2491 24.7852 24.7852 k = 0.4863-0.2808 0.3971 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3210 -32.3210 -32.2999 -32.2999 -8.6343 -8.6343 3.1670 3.1670 5.6728 5.6728 5.6958 5.6958 15.9741 15.9741 16.1393 16.1393 19.2483 19.2483 24.7908 24.7908 k = 0.4932-0.2847 0.4027 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3210 -32.3210 -32.2999 -32.2999 -8.6325 -8.6325 3.1643 3.1643 5.6713 5.6713 5.6943 5.6943 15.9696 15.9696 16.1402 16.1402 19.2478 19.2478 24.7941 24.7941 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3210 -32.3210 -32.2999 -32.2999 -8.6318 -8.6318 3.1634 3.1634 5.6708 5.6708 5.6938 5.6938 15.9682 15.9682 16.1404 16.1404 19.2477 19.2477 24.7952 24.7952 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3210 -32.3210 -32.2999 -32.2999 -8.6318 -8.6318 3.1634 3.1634 5.6708 5.6708 5.6938 5.6938 15.9682 15.9682 16.1404 16.1404 19.2477 19.2477 24.7952 24.7952 k = 0.5000-0.2809 0.4138 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3210 -32.3210 -32.2999 -32.2999 -8.6318 -8.6318 3.1642 3.1642 5.6696 5.6696 5.6926 5.6926 15.9707 15.9707 16.1432 16.1432 19.2469 19.2469 24.7927 24.7927 k = 0.5000-0.2731 0.4193 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3210 -32.3210 -32.2999 -32.2999 -8.6315 -8.6315 3.1667 3.1667 5.6659 5.6659 5.6891 5.6891 15.9781 15.9781 16.1513 16.1513 19.2446 19.2446 24.7806 24.7806 k = 0.5000-0.2653 0.4248 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3210 -32.3210 -32.3000 -32.3000 -8.6310 -8.6310 3.1709 3.1709 5.6594 5.6594 5.6837 5.6837 15.9905 15.9905 16.1649 16.1649 19.2406 19.2406 24.7541 24.7541 k = 0.5000-0.2575 0.4303 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3209 -32.3209 -32.3000 -32.3000 -8.6304 -8.6304 3.1767 3.1767 5.6497 5.6497 5.6767 5.6767 16.0078 16.0078 16.1839 16.1839 19.2351 19.2351 24.7141 24.7141 k = 0.5000-0.2497 0.4358 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3209 -32.3209 -32.3001 -32.3001 -8.6296 -8.6296 3.1842 3.1842 5.6366 5.6366 5.6686 5.6686 16.0299 16.0299 16.2082 16.2082 19.2280 19.2280 24.6623 24.6623 k = 0.5000-0.2419 0.4413 ( 1036 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3208 -32.3208 -32.3002 -32.3002 -8.6287 -8.6287 3.1933 3.1933 5.6200 5.6200 5.6595 5.6595 16.0567 16.0567 16.2377 16.2377 19.2193 19.2193 24.5994 24.5994 k = 0.5000-0.2341 0.4469 ( 1036 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3208 -32.3208 -32.3004 -32.3004 -8.6276 -8.6276 3.2041 3.2041 5.6000 5.6000 5.6496 5.6496 16.0880 16.0880 16.2724 16.2724 19.2090 19.2090 24.5269 24.5269 k = 0.5000-0.2263 0.4524 ( 1036 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3207 -32.3207 -32.3005 -32.3005 -8.6264 -8.6264 3.2165 3.2165 5.5769 5.5769 5.6385 5.6385 16.1237 16.1237 16.3120 16.3120 19.1971 19.1971 24.4455 24.4455 k = 0.5000-0.2185 0.4579 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3206 -32.3206 -32.3006 -32.3006 -8.6250 -8.6250 3.2306 3.2306 5.5508 5.5508 5.6266 5.6266 16.1637 16.1637 16.3566 16.3566 19.1836 19.1836 24.3559 24.3559 k = 0.5000-0.2107 0.4634 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3205 -32.3205 -32.3008 -32.3008 -8.6235 -8.6235 3.2462 3.2462 5.5218 5.5218 5.6137 5.6137 16.2077 16.2077 16.4058 16.4058 19.1683 19.1683 24.2584 24.2584 k = 0.5000-0.2029 0.4689 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3204 -32.3204 -32.3010 -32.3010 -8.6218 -8.6218 3.2635 3.2635 5.4902 5.4902 5.6000 5.6000 16.2556 16.2556 16.4597 16.4597 19.1515 19.1515 24.1547 24.1547 k = 0.5000-0.1951 0.4745 ( 1038 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3202 -32.3202 -32.3011 -32.3011 -8.6201 -8.6201 3.2824 3.2824 5.4561 5.4561 5.5855 5.5855 16.3072 16.3072 16.5179 16.5179 19.1332 19.1332 24.0453 24.0453 k = 0.5000-0.1872 0.4800 ( 1038 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3201 -32.3201 -32.3013 -32.3013 -8.6182 -8.6182 3.3029 3.3029 5.4196 5.4196 5.5704 5.5704 16.3622 16.3622 16.5803 16.5803 19.1130 19.1130 23.9308 23.9308 k = 0.5000-0.1794 0.4855 ( 1050 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3200 -32.3200 -32.3016 -32.3016 -8.6163 -8.6163 3.3246 3.3246 5.3809 5.3809 5.5546 5.5546 16.4202 16.4202 16.6467 16.6467 19.0910 19.0910 23.8115 23.8115 k = 0.5000-0.1716 0.4910 ( 1050 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3199 -32.3199 -32.3018 -32.3018 -8.6143 -8.6143 3.3483 3.3483 5.3402 5.3402 5.5384 5.5384 16.4813 16.4813 16.7167 16.7167 19.0673 19.0673 23.6890 23.6890 k = 0.5000-0.1638 0.4965 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3197 -32.3197 -32.3020 -32.3020 -8.6122 -8.6122 3.3735 3.3735 5.2976 5.2976 5.5219 5.5219 16.5452 16.5452 16.7903 16.7903 19.0419 19.0419 23.5637 23.5637 k = 0.5000-0.1560 0.5020 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3195 -32.3195 -32.3023 -32.3023 -8.6102 -8.6102 3.4002 3.4002 5.2532 5.2532 5.5052 5.5052 16.6114 16.6114 16.8670 16.8670 19.0148 19.0148 23.4358 23.4358 k = 0.5000-0.1482 0.5076 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3193 -32.3193 -32.3025 -32.3025 -8.6080 -8.6080 3.4285 3.4285 5.2073 5.2073 5.4885 5.4885 16.6798 16.6798 16.9466 16.9466 18.9858 18.9858 23.3061 23.3061 k = 0.5000-0.1404 0.5131 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3191 -32.3191 -32.3027 -32.3027 -8.6059 -8.6059 3.4582 3.4582 5.1600 5.1600 5.4717 5.4717 16.7501 16.7501 17.0287 17.0287 18.9552 18.9552 23.1754 23.1754 k = 0.5000-0.1326 0.5186 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3189 -32.3189 -32.3030 -32.3030 -8.6038 -8.6038 3.4894 3.4894 5.1113 5.1113 5.4551 5.4551 16.8221 16.8221 17.1131 17.1131 18.9226 18.9226 23.0442 23.0442 k = 0.5000-0.1248 0.5241 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3187 -32.3187 -32.3033 -32.3033 -8.6017 -8.6017 3.5220 3.5220 5.0615 5.0615 5.4387 5.4387 16.8954 16.8954 17.1991 17.1991 18.8881 18.8881 22.9127 22.9127 k = 0.5000-0.1170 0.5296 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3185 -32.3185 -32.3036 -32.3036 -8.5997 -8.5997 3.5561 3.5561 5.0107 5.0107 5.4228 5.4228 16.9699 16.9699 17.2865 17.2865 18.8518 18.8518 22.7824 22.7824 k = 0.5000-0.1092 0.5351 ( 1040 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3183 -32.3183 -32.3038 -32.3038 -8.5976 -8.5976 3.5916 3.5916 4.9591 4.9591 5.4073 5.4073 17.0453 17.0453 17.3748 17.3748 18.8136 18.8136 22.6538 22.6538 k = 0.5000-0.1014 0.5407 ( 1040 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3181 -32.3181 -32.3040 -32.3040 -8.5957 -8.5957 3.6285 3.6285 4.9067 4.9067 5.3924 5.3924 17.1214 17.1214 17.4633 17.4633 18.7734 18.7734 22.5269 22.5269 k = 0.5000-0.0936 0.5462 ( 1040 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3179 -32.3179 -32.3043 -32.3043 -8.5938 -8.5938 3.6666 3.6666 4.8538 4.8538 5.3782 5.3782 17.1978 17.1978 17.5515 17.5515 18.7313 18.7313 22.4029 22.4029 k = 0.5000-0.0858 0.5517 ( 1044 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3177 -32.3177 -32.3046 -32.3046 -8.5921 -8.5921 3.7060 3.7060 4.8004 4.8004 5.3647 5.3647 17.2745 17.2745 17.6386 17.6386 18.6872 18.6872 22.2823 22.2823 k = 0.5000-0.0780 0.5572 ( 1044 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3175 -32.3175 -32.3048 -32.3048 -8.5904 -8.5904 3.7467 3.7467 4.7466 4.7466 5.3521 5.3521 17.3510 17.3510 17.7239 17.7239 18.6412 18.6412 22.1664 22.1664 k = 0.5000-0.0702 0.5627 ( 1050 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3174 -32.3174 -32.3051 -32.3051 -8.5889 -8.5889 3.7886 3.7886 4.6926 4.6926 5.3403 5.3403 17.4273 17.4273 17.8064 17.8064 18.5932 18.5932 22.0557 22.0557 k = 0.5000-0.0624 0.5682 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3172 -32.3172 -32.3053 -32.3053 -8.5875 -8.5875 3.8318 3.8318 4.6385 4.6385 5.3297 5.3297 17.5033 17.5033 17.8853 17.8853 18.5433 18.5433 21.9520 21.9520 k = 0.5000-0.0546 0.5738 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3170 -32.3170 -32.3055 -32.3055 -8.5862 -8.5862 3.8759 3.8759 4.5844 4.5844 5.3202 5.3202 17.5785 17.5785 17.9593 17.9593 18.4914 18.4914 21.8562 21.8562 k = 0.5000-0.0468 0.5793 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3169 -32.3169 -32.3057 -32.3057 -8.5851 -8.5851 3.9212 3.9212 4.5304 4.5304 5.3118 5.3118 17.6529 17.6529 18.0272 18.0272 18.4375 18.4375 21.7689 21.7689 k = 0.5000-0.0390 0.5848 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3167 -32.3167 -32.3058 -32.3058 -8.5841 -8.5841 3.9676 3.9676 4.4766 4.4766 5.3047 5.3047 17.7264 17.7264 18.0879 18.0879 18.3818 18.3818 21.6918 21.6918 k = 0.5000-0.0312 0.5903 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3166 -32.3166 -32.3059 -32.3059 -8.5833 -8.5833 4.0150 4.0150 4.4231 4.4231 5.2987 5.2987 17.7988 17.7988 18.1398 18.1398 18.3241 18.3241 21.6264 21.6264 k = 0.5000-0.0234 0.5958 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3165 -32.3165 -32.3061 -32.3061 -8.5827 -8.5827 4.0634 4.0634 4.3700 4.3700 5.2941 5.2941 17.8698 17.8698 18.1817 18.1817 18.2647 18.2647 21.5738 21.5738 k = 0.5000-0.0156 0.6013 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3165 -32.3165 -32.3061 -32.3061 -8.5822 -8.5822 4.1126 4.1126 4.3173 4.3173 5.2907 5.2907 17.9395 17.9395 18.2006 18.2006 18.2154 18.2154 21.5353 21.5353 k = 0.5000-0.0078 0.6069 ( 1048 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3164 -32.3164 -32.3062 -32.3062 -8.5820 -8.5820 4.1625 4.1625 4.2653 4.2653 5.2887 5.2887 18.0077 18.0077 18.1394 18.1394 18.2325 18.2325 21.5116 21.5116 k = 0.5000 0.0000 0.6124 ( 1048 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3164 -32.3164 -32.3062 -32.3062 -8.5819 -8.5819 4.2088 4.2088 4.2183 4.2183 5.2880 5.2880 18.0704 18.0704 18.0784 18.0784 18.2388 18.2388 21.5037 21.5037 k = 0.5000 0.0000 0.6124 ( 1048 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3164 -32.3164 -32.3062 -32.3062 -8.5819 -8.5819 4.2088 4.2088 4.2183 4.2183 5.2880 5.2880 18.0704 18.0704 18.0784 18.0784 18.2388 18.2388 21.5037 21.5037 k = 0.4952 0.0083 0.6124 ( 1048 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3164 -32.3164 -32.3062 -32.3062 -8.5820 -8.5820 4.1774 4.1774 4.2492 4.2492 5.2898 5.2898 18.0249 18.0249 18.1211 18.1211 18.2365 18.2365 21.5102 21.5102 k = 0.4904 0.0167 0.6124 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3165 -32.3165 -32.3061 -32.3061 -8.5825 -8.5825 4.1428 4.1428 4.2818 4.2818 5.2955 5.2955 17.9713 17.9713 18.1666 18.1666 18.2294 18.2294 21.5300 21.5300 k = 0.4856 0.0250 0.6124 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5988 -32.5988 -32.3165 -32.3165 -32.3060 -32.3060 -8.5832 -8.5832 4.1093 4.1093 4.3116 4.3116 5.3052 5.3052 17.9137 17.9137 18.2085 18.2085 18.2203 18.2203 21.5622 21.5622 k = 0.4808 0.0333 0.6124 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5988 -32.5988 -32.3166 -32.3166 -32.3059 -32.3059 -8.5842 -8.5842 4.0769 4.0769 4.3382 4.3382 5.3191 5.3191 17.8524 17.8524 18.2003 18.2003 18.2566 18.2566 21.6064 21.6064 k = 0.4760 0.0416 0.6124 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5988 -32.5988 -32.3167 -32.3167 -32.3057 -32.3057 -8.5854 -8.5854 4.0458 4.0458 4.3613 4.3613 5.3370 5.3370 17.7874 17.7874 18.1816 18.1816 18.2992 18.2992 21.6618 21.6618 k = 0.4712 0.0500 0.6124 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5988 -32.5988 -32.3168 -32.3168 -32.3055 -32.3055 -8.5868 -8.5868 4.0158 4.0158 4.3809 4.3809 5.3590 5.3590 17.7191 17.7191 18.1609 18.1609 18.3409 18.3409 21.7276 21.7276 k = 0.4663 0.0583 0.6124 ( 1042 PWs) bands (ev): -65.6405 -65.6405 -32.5988 -32.5988 -32.3169 -32.3169 -32.3053 -32.3053 -8.5883 -8.5883 3.9872 3.9872 4.3972 4.3972 5.3847 5.3847 17.6478 17.6478 18.1391 18.1391 18.3812 18.3812 21.8029 21.8029 k = 0.4615 0.0666 0.6124 ( 1042 PWs) bands (ev): -65.6405 -65.6405 -32.5988 -32.5988 -32.3171 -32.3171 -32.3051 -32.3051 -8.5899 -8.5899 3.9598 3.9598 4.4102 4.4102 5.4136 5.4136 17.5742 17.5742 18.1169 18.1169 18.4202 18.4202 21.8867 21.8867 k = 0.4567 0.0749 0.6124 ( 1047 PWs) bands (ev): -65.6405 -65.6405 -32.5988 -32.5988 -32.3172 -32.3172 -32.3049 -32.3049 -8.5916 -8.5916 3.9338 3.9338 4.4202 4.4202 5.4454 5.4454 17.4988 17.4988 18.0948 18.0948 18.4577 18.4577 21.9778 21.9778 k = 0.4519 0.0833 0.6124 ( 1047 PWs) bands (ev): -65.6405 -65.6405 -32.5987 -32.5987 -32.3174 -32.3174 -32.3046 -32.3046 -8.5934 -8.5934 3.9092 3.9092 4.4277 4.4277 5.4793 5.4793 17.4226 17.4226 18.0733 18.0733 18.4935 18.4935 22.0761 22.0761 k = 0.4471 0.0916 0.6124 ( 1045 PWs) bands (ev): -65.6405 -65.6405 -32.5987 -32.5987 -32.3176 -32.3176 -32.3043 -32.3043 -8.5952 -8.5952 3.8859 3.8859 4.4328 4.4328 5.5148 5.5148 17.3464 17.3464 18.0526 18.0526 18.5276 18.5276 22.1807 22.1807 k = 0.4423 0.0999 0.6124 ( 1045 PWs) bands (ev): -65.6405 -65.6405 -32.5987 -32.5987 -32.3177 -32.3177 -32.3041 -32.3041 -8.5970 -8.5970 3.8641 3.8641 4.4361 4.4361 5.5512 5.5512 17.2709 17.2709 18.0329 18.0329 18.5600 18.5600 22.2904 22.2904 k = 0.4375 0.1083 0.6124 ( 1041 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3178 -32.3178 -32.3038 -32.3038 -8.5988 -8.5988 3.8437 3.8437 4.4379 4.4379 5.5880 5.5880 17.1969 17.1969 18.0144 18.0144 18.5905 18.5905 22.4051 22.4051 k = 0.4327 0.1166 0.6124 ( 1043 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3180 -32.3180 -32.3036 -32.3036 -8.6006 -8.6006 3.8247 3.8247 4.4383 4.4383 5.6245 5.6245 17.1252 17.1252 17.9971 17.9971 18.6190 18.6190 22.5239 22.5239 k = 0.4279 0.1249 0.6124 ( 1043 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3181 -32.3181 -32.3033 -32.3033 -8.6023 -8.6023 3.8071 3.8071 4.4379 4.4379 5.6602 5.6602 17.0566 17.0566 17.9811 17.9811 18.6455 18.6455 22.6466 22.6466 k = 0.4231 0.1332 0.6124 ( 1047 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3183 -32.3183 -32.3032 -32.3032 -8.6039 -8.6039 3.7910 3.7910 4.4367 4.4367 5.6945 5.6945 16.9916 16.9916 17.9664 17.9664 18.6699 18.6699 22.7723 22.7723 k = 0.4183 0.1416 0.6124 ( 1043 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3184 -32.3184 -32.3029 -32.3029 -8.6055 -8.6055 3.7765 3.7765 4.4351 4.4351 5.7271 5.7271 16.9310 16.9310 17.9531 17.9531 18.6921 18.6921 22.9016 22.9016 k = 0.4135 0.1499 0.6124 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5986 -32.5986 -32.3185 -32.3185 -32.3027 -32.3027 -8.6069 -8.6069 3.7634 3.7634 4.4333 4.4333 5.7575 5.7575 16.8752 16.8752 17.9412 17.9412 18.7122 18.7122 23.0333 23.0333 k = 0.4087 0.1582 0.6124 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5986 -32.5986 -32.3186 -32.3186 -32.3025 -32.3025 -8.6081 -8.6081 3.7518 3.7518 4.4313 4.4313 5.7852 5.7852 16.8247 16.8247 17.9306 17.9306 18.7300 18.7300 23.1674 23.1674 k = 0.4038 0.1665 0.6124 ( 1041 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3187 -32.3187 -32.3023 -32.3023 -8.6093 -8.6093 3.7418 3.7418 4.4293 4.4293 5.8099 5.8099 16.7801 16.7801 17.9215 17.9215 18.7455 18.7455 23.3037 23.3037 k = 0.3990 0.1749 0.6124 ( 1049 PWs) bands (ev): -65.6406 -65.6406 -32.5986 -32.5986 -32.3189 -32.3189 -32.3023 -32.3023 -8.6103 -8.6103 3.7332 3.7332 4.4274 4.4274 5.8313 5.8313 16.7416 16.7416 17.9137 17.9137 18.7587 18.7587 23.4413 23.4413 k = 0.3942 0.1832 0.6124 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3189 -32.3189 -32.3021 -32.3021 -8.6111 -8.6111 3.7263 3.7263 4.4258 4.4258 5.8493 5.8493 16.7098 16.7098 17.9074 17.9074 18.7696 18.7696 23.5806 23.5806 k = 0.3894 0.1915 0.6124 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3189 -32.3189 -32.3020 -32.3020 -8.6117 -8.6117 3.7209 3.7209 4.4245 4.4245 5.8634 5.8634 16.6847 16.6847 17.9024 17.9024 18.7780 18.7780 23.7205 23.7205 k = 0.3846 0.1999 0.6124 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3019 -32.3019 -8.6122 -8.6122 3.7170 3.7170 4.4235 4.4235 5.8736 5.8736 16.6666 16.6666 17.8989 17.8989 18.7840 18.7840 23.8602 23.8602 k = 0.3798 0.2082 0.6124 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3019 -32.3019 -8.6125 -8.6125 3.7147 3.7147 4.4229 4.4229 5.8798 5.8798 16.6557 16.6557 17.8968 17.8968 18.7876 18.7876 23.9943 23.9943 k = 0.3750 0.2165 0.6124 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3019 -32.3019 -8.6126 -8.6126 3.7139 3.7139 4.4227 4.4227 5.8819 5.8819 16.6521 16.6521 17.8961 17.8961 18.7889 18.7889 24.0794 24.0794 k = 0.3750 0.2165 0.6124 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3019 -32.3019 -8.6126 -8.6126 3.7139 3.7139 4.4227 4.4227 5.8819 5.8819 16.6521 16.6521 17.8961 17.8961 18.7889 18.7889 24.0794 24.0794 k = 0.3702 0.2137 0.6045 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5984 -32.5984 -32.3190 -32.3190 -32.3018 -32.3018 -8.6143 -8.6143 3.7554 3.7554 4.3595 4.3595 5.8965 5.8965 16.6806 16.6806 17.9789 17.9789 18.7594 18.7594 24.0406 24.0406 k = 0.3654 0.2110 0.5967 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5983 -32.5983 -32.3189 -32.3189 -32.3016 -32.3016 -8.6166 -8.6166 3.7982 3.7982 4.2979 4.2979 5.9116 5.9116 16.7064 16.7064 18.0592 18.0592 18.7298 18.7298 24.0025 24.0025 k = 0.3606 0.2082 0.5888 ( 1043 PWs) bands (ev): -65.6407 -65.6407 -32.5982 -32.5982 -32.3189 -32.3189 -32.3015 -32.3015 -8.6194 -8.6194 3.8422 3.8422 4.2379 4.2379 5.9270 5.9270 16.7288 16.7288 18.1372 18.1372 18.7001 18.7001 23.9651 23.9651 k = 0.3558 0.2054 0.5810 ( 1043 PWs) bands (ev): -65.6407 -65.6407 -32.5981 -32.5981 -32.3188 -32.3188 -32.3013 -32.3013 -8.6229 -8.6229 3.8874 3.8874 4.1799 4.1799 5.9428 5.9428 16.7472 16.7472 18.2133 18.2133 18.6705 18.6705 23.9288 23.9288 k = 0.3510 0.2026 0.5731 ( 1039 PWs) bands (ev): -65.6407 -65.6407 -32.5980 -32.5980 -32.3188 -32.3188 -32.3010 -32.3010 -8.6269 -8.6269 3.9340 3.9340 4.1241 4.1241 5.9589 5.9589 16.7610 16.7610 18.2877 18.2877 18.6410 18.6410 23.8936 23.8936 k = 0.3462 0.1999 0.5653 ( 1039 PWs) bands (ev): -65.6408 -65.6408 -32.5979 -32.5979 -32.3187 -32.3187 -32.3008 -32.3008 -8.6316 -8.6316 3.9814 3.9814 4.0706 4.0706 5.9754 5.9754 16.7698 16.7698 18.3610 18.3610 18.6119 18.6119 23.8596 23.8596 k = 0.3413 0.1971 0.5574 ( 1039 PWs) bands (ev): -65.6408 -65.6408 -32.5977 -32.5977 -32.3187 -32.3187 -32.3005 -32.3005 -8.6371 -8.6371 4.0167 4.0167 4.0328 4.0328 5.9922 5.9922 16.7730 16.7730 18.4337 18.4337 18.5831 18.5831 23.8269 23.8269 k = 0.3365 0.1943 0.5496 ( 1035 PWs) bands (ev): -65.6409 -65.6409 -32.5975 -32.5975 -32.3186 -32.3186 -32.3002 -32.3002 -8.6432 -8.6432 3.9702 3.9702 4.0805 4.0805 6.0094 6.0094 16.7703 16.7703 18.5058 18.5058 18.5555 18.5555 23.7959 23.7959 k = 0.3317 0.1915 0.5417 ( 1031 PWs) bands (ev): -65.6409 -65.6409 -32.5973 -32.5973 -32.3185 -32.3185 -32.2998 -32.2998 -8.6502 -8.6502 3.9245 3.9245 4.1312 4.1312 6.0268 6.0268 16.7613 16.7613 18.5258 18.5258 18.5812 18.5812 23.7665 23.7665 k = 0.3269 0.1887 0.5339 ( 1035 PWs) bands (ev): -65.6410 -65.6410 -32.5972 -32.5972 -32.3185 -32.3185 -32.2995 -32.2995 -8.6579 -8.6579 3.8816 3.8816 4.1829 4.1829 6.0445 6.0445 16.7455 16.7455 18.4993 18.4993 18.6550 18.6550 23.7386 23.7386 k = 0.3221 0.1860 0.5260 ( 1035 PWs) bands (ev): -65.6410 -65.6410 -32.5970 -32.5970 -32.3184 -32.3184 -32.2991 -32.2991 -8.6664 -8.6664 3.8416 3.8416 4.2356 4.2356 6.0624 6.0624 16.7233 16.7233 18.4731 18.4731 18.7306 18.7306 23.7125 23.7125 k = 0.3173 0.1832 0.5182 ( 1039 PWs) bands (ev): -65.6411 -65.6411 -32.5968 -32.5968 -32.3183 -32.3183 -32.2988 -32.2988 -8.6758 -8.6758 3.8048 3.8048 4.2891 4.2891 6.0805 6.0805 16.6944 16.6944 18.4478 18.4478 18.8081 18.8081 23.6879 23.6879 k = 0.3125 0.1804 0.5103 ( 1039 PWs) bands (ev): -65.6412 -65.6412 -32.5966 -32.5966 -32.3182 -32.3182 -32.2984 -32.2984 -8.6861 -8.6861 3.7711 3.7711 4.3435 4.3435 6.0988 6.0988 16.6590 16.6590 18.4235 18.4235 18.8877 18.8877 23.6658 23.6658 k = 0.3077 0.1776 0.5025 ( 1043 PWs) bands (ev): -65.6412 -65.6412 -32.5964 -32.5964 -32.3181 -32.3181 -32.2980 -32.2980 -8.6972 -8.6972 3.7407 3.7407 4.3987 4.3987 6.1173 6.1173 16.6173 16.6173 18.4003 18.4003 18.9694 18.9694 23.6457 23.6457 k = 0.3029 0.1749 0.4946 ( 1037 PWs) bands (ev): -65.6413 -65.6413 -32.5961 -32.5961 -32.3178 -32.3178 -32.2975 -32.2975 -8.7092 -8.7092 3.7138 3.7138 4.4547 4.4547 6.1360 6.1360 16.5696 16.5696 18.3784 18.3784 19.0537 19.0537 23.6278 23.6278 k = 0.2981 0.1721 0.4868 ( 1037 PWs) bands (ev): -65.6414 -65.6414 -32.5958 -32.5958 -32.3176 -32.3176 -32.2971 -32.2971 -8.7221 -8.7221 3.6903 3.6903 4.5113 4.5113 6.1548 6.1548 16.5160 16.5160 18.3578 18.3578 19.1403 19.1403 23.6122 23.6122 k = 0.2933 0.1693 0.4789 ( 1037 PWs) bands (ev): -65.6415 -65.6415 -32.5955 -32.5955 -32.3174 -32.3174 -32.2966 -32.2966 -8.7359 -8.7359 3.6703 3.6703 4.5685 4.5685 6.1738 6.1738 16.4569 16.4569 18.3388 18.3388 19.2292 19.2292 23.5990 23.5990 k = 0.2885 0.1665 0.4711 ( 1037 PWs) bands (ev): -65.6415 -65.6415 -32.5952 -32.5952 -32.3172 -32.3172 -32.2962 -32.2962 -8.7506 -8.7506 3.6539 3.6539 4.6263 4.6263 6.1928 6.1928 16.3926 16.3926 18.3214 18.3214 19.3205 19.3205 23.5882 23.5882 k = 0.2837 0.1638 0.4632 ( 1029 PWs) bands (ev): -65.6416 -65.6416 -32.5948 -32.5948 -32.3169 -32.3169 -32.2956 -32.2956 -8.7663 -8.7663 3.6412 3.6412 4.6846 4.6846 6.2120 6.2120 16.3239 16.3239 18.3058 18.3058 19.4142 19.4142 23.5801 23.5801 k = 0.2788 0.1610 0.4554 ( 1029 PWs) bands (ev): -65.6417 -65.6417 -32.5945 -32.5945 -32.3166 -32.3166 -32.2952 -32.2952 -8.7828 -8.7828 3.6321 3.6321 4.7433 4.7433 6.2312 6.2312 16.2506 16.2506 18.2920 18.2920 19.5099 19.5099 23.5744 23.5744 k = 0.2740 0.1582 0.4475 ( 1029 PWs) bands (ev): -65.6418 -65.6418 -32.5941 -32.5941 -32.3162 -32.3162 -32.2947 -32.2947 -8.8002 -8.8002 3.6267 3.6267 4.8024 4.8024 6.2504 6.2504 16.1732 16.1732 18.2802 18.2802 19.6077 19.6077 23.5713 23.5713 k = 0.2692 0.1554 0.4397 ( 1033 PWs) bands (ev): -65.6419 -65.6419 -32.5937 -32.5937 -32.3159 -32.3159 -32.2942 -32.2942 -8.8185 -8.8185 3.6249 3.6249 4.8618 4.8618 6.2697 6.2697 16.0921 16.0921 18.2703 18.2703 19.7072 19.7072 23.5708 23.5708 k = 0.2644 0.1527 0.4318 ( 1033 PWs) bands (ev): -65.6420 -65.6420 -32.5933 -32.5933 -32.3155 -32.3155 -32.2937 -32.2937 -8.8377 -8.8377 3.6269 3.6269 4.9214 4.9214 6.2889 6.2889 16.0077 16.0077 18.2628 18.2628 19.8086 19.8086 23.5732 23.5732 k = 0.2596 0.1499 0.4240 ( 1045 PWs) bands (ev): -65.6422 -65.6422 -32.5930 -32.5930 -32.3151 -32.3151 -32.2934 -32.2934 -8.8577 -8.8577 3.6327 3.6327 4.9809 4.9809 6.3081 6.3081 15.9201 15.9201 18.2576 18.2576 19.9116 19.9116 23.5772 23.5772 k = 0.2548 0.1471 0.4161 ( 1045 PWs) bands (ev): -65.6423 -65.6423 -32.5925 -32.5925 -32.3147 -32.3147 -32.2929 -32.2929 -8.8786 -8.8786 3.6422 3.6422 5.0408 5.0408 6.3273 6.3273 15.8299 15.8299 18.2550 18.2550 20.0160 20.0160 23.5853 23.5853 k = 0.2500 0.1443 0.4082 ( 1049 PWs) bands (ev): -65.6424 -65.6424 -32.5921 -32.5921 -32.3142 -32.3142 -32.2924 -32.2924 -8.9002 -8.9002 3.6555 3.6555 5.1007 5.1007 6.3464 6.3464 15.7370 15.7370 18.2548 18.2548 20.1215 20.1215 23.5959 23.5959 k = 0.2452 0.1416 0.4004 ( 1045 PWs) bands (ev): -65.6425 -65.6425 -32.5916 -32.5916 -32.3137 -32.3137 -32.2919 -32.2919 -8.9225 -8.9225 3.6724 3.6724 5.1606 5.1606 6.3655 6.3655 15.6420 15.6420 18.2574 18.2574 20.2282 20.2282 23.6102 23.6102 k = 0.2404 0.1388 0.3925 ( 1045 PWs) bands (ev): -65.6426 -65.6426 -32.5911 -32.5911 -32.3131 -32.3131 -32.2914 -32.2914 -8.9457 -8.9457 3.6931 3.6931 5.2204 5.2204 6.3845 6.3845 15.5449 15.5449 18.2628 18.2628 20.3357 20.3357 23.6272 23.6272 k = 0.2356 0.1360 0.3847 ( 1045 PWs) bands (ev): -65.6428 -65.6428 -32.5905 -32.5905 -32.3125 -32.3125 -32.2910 -32.2910 -8.9695 -8.9695 3.7174 3.7174 5.2799 5.2799 6.4033 6.4033 15.4460 15.4460 18.2712 18.2712 20.4438 20.4438 23.6472 23.6472 k = 0.2308 0.1332 0.3768 ( 1047 PWs) bands (ev): -65.6429 -65.6429 -32.5900 -32.5900 -32.3120 -32.3120 -32.2905 -32.2905 -8.9939 -8.9939 3.7453 3.7453 5.3393 5.3393 6.4220 6.4220 15.3455 15.3455 18.2825 18.2825 20.5522 20.5522 23.6703 23.6703 k = 0.2260 0.1305 0.3690 ( 1047 PWs) bands (ev): -65.6430 -65.6430 -32.5895 -32.5895 -32.3113 -32.3113 -32.2900 -32.2900 -9.0190 -9.0190 3.7768 3.7768 5.3983 5.3983 6.4405 6.4405 15.2435 15.2435 18.2970 18.2970 20.6609 20.6609 23.6966 23.6966 k = 0.2212 0.1277 0.3611 ( 1047 PWs) bands (ev): -65.6432 -65.6432 -32.5889 -32.5889 -32.3107 -32.3107 -32.2896 -32.2896 -9.0446 -9.0446 3.8118 3.8118 5.4569 5.4569 6.4589 6.4589 15.1401 15.1401 18.3147 18.3147 20.7697 20.7697 23.7260 23.7260 k = 0.2163 0.1249 0.3533 ( 1047 PWs) bands (ev): -65.6433 -65.6433 -32.5883 -32.5883 -32.3100 -32.3100 -32.2891 -32.2891 -9.0707 -9.0707 3.8503 3.8503 5.5150 5.5150 6.4771 6.4771 15.0356 15.0356 18.3358 18.3358 20.8781 20.8781 23.7587 23.7587 k = 0.2115 0.1221 0.3454 ( 1047 PWs) bands (ev): -65.6434 -65.6434 -32.5877 -32.5877 -32.3092 -32.3092 -32.2887 -32.2887 -9.0973 -9.0973 3.8922 3.8922 5.5726 5.5726 6.4951 6.4951 14.9301 14.9301 18.3603 18.3603 20.9861 20.9861 23.7946 23.7946 k = 0.2067 0.1194 0.3376 ( 1047 PWs) bands (ev): -65.6436 -65.6436 -32.5871 -32.5871 -32.3085 -32.3085 -32.2882 -32.2882 -9.1243 -9.1243 3.9375 3.9375 5.6296 5.6296 6.5128 6.5128 14.8236 14.8236 18.3884 18.3884 21.0933 21.0933 23.8337 23.8337 k = 0.2019 0.1166 0.3297 ( 1051 PWs) bands (ev): -65.6437 -65.6437 -32.5865 -32.5865 -32.3077 -32.3077 -32.2878 -32.2878 -9.1517 -9.1517 3.9861 3.9861 5.6858 5.6858 6.5303 6.5303 14.7162 14.7162 18.4201 18.4201 21.1994 21.1994 23.8758 23.8758 k = 0.1971 0.1138 0.3219 ( 1051 PWs) bands (ev): -65.6439 -65.6439 -32.5859 -32.5859 -32.3069 -32.3069 -32.2874 -32.2874 -9.1794 -9.1794 4.0378 4.0378 5.7414 5.7414 6.5475 6.5475 14.6082 14.6082 18.4555 18.4555 21.3042 21.3042 23.9212 23.9212 k = 0.1923 0.1110 0.3140 ( 1043 PWs) bands (ev): -65.6440 -65.6440 -32.5852 -32.5852 -32.3061 -32.3061 -32.2869 -32.2869 -9.2073 -9.2073 4.0928 4.0928 5.7962 5.7962 6.5645 6.5645 14.4997 14.4997 18.4948 18.4948 21.4074 21.4074 23.9704 23.9704 k = 0.1875 0.1083 0.3062 ( 1043 PWs) bands (ev): -65.6442 -65.6442 -32.5845 -32.5845 -32.3052 -32.3052 -32.2865 -32.2865 -9.2354 -9.2354 4.1507 4.1507 5.8501 5.8501 6.5812 6.5812 14.3906 14.3906 18.5379 18.5379 21.5085 21.5085 24.0227 24.0227 k = 0.1827 0.1055 0.2983 ( 1043 PWs) bands (ev): -65.6443 -65.6443 -32.5839 -32.5839 -32.3044 -32.3044 -32.2861 -32.2861 -9.2637 -9.2637 4.2115 4.2115 5.9030 5.9030 6.5976 6.5976 14.2810 14.2810 18.5850 18.5850 21.6073 21.6073 24.0783 24.0783 k = 0.1779 0.1027 0.2905 ( 1037 PWs) bands (ev): -65.6445 -65.6445 -32.5832 -32.5832 -32.3034 -32.3034 -32.2857 -32.2857 -9.2920 -9.2920 4.2753 4.2753 5.9549 5.9549 6.6137 6.6137 14.1711 14.1711 18.6360 18.6360 21.7036 21.7036 24.1374 24.1374 k = 0.1731 0.0999 0.2826 ( 1041 PWs) bands (ev): -65.6446 -65.6446 -32.5825 -32.5825 -32.3026 -32.3026 -32.2853 -32.2853 -9.3204 -9.3204 4.3417 4.3417 6.0057 6.0057 6.6295 6.6295 14.0607 14.0607 18.6912 18.6912 21.7962 21.7962 24.1995 24.1995 k = 0.1683 0.0972 0.2748 ( 1041 PWs) bands (ev): -65.6448 -65.6448 -32.5819 -32.5819 -32.3017 -32.3017 -32.2849 -32.2849 -9.3488 -9.3488 4.4108 4.4108 6.0555 6.0555 6.6449 6.6449 13.9502 13.9502 18.7505 18.7505 21.8856 21.8856 24.1257 24.1257 k = 0.1635 0.0944 0.2669 ( 1041 PWs) bands (ev): -65.6449 -65.6449 -32.5812 -32.5812 -32.3007 -32.3007 -32.2845 -32.2845 -9.3771 -9.3771 4.4824 4.4824 6.1041 6.1041 6.6600 6.6600 13.8395 13.8395 18.8139 18.8139 21.9711 21.9711 24.0246 24.0246 k = 0.1587 0.0916 0.2591 ( 1041 PWs) bands (ev): -65.6451 -65.6451 -32.5805 -32.5805 -32.2998 -32.2998 -32.2842 -32.2842 -9.4052 -9.4052 4.5564 4.5564 6.1515 6.1515 6.6747 6.6747 13.7287 13.7287 18.8816 18.8816 22.0523 22.0523 23.9264 23.9264 k = 0.1538 0.0888 0.2512 ( 1041 PWs) bands (ev): -65.6453 -65.6453 -32.5798 -32.5798 -32.2989 -32.2989 -32.2838 -32.2838 -9.4332 -9.4332 4.6328 4.6328 6.1976 6.1976 6.6890 6.6890 13.6179 13.6179 18.9534 18.9534 22.1287 22.1287 23.8311 23.8311 k = 0.1490 0.0860 0.2434 ( 1041 PWs) bands (ev): -65.6454 -65.6454 -32.5792 -32.5792 -32.2979 -32.2979 -32.2835 -32.2835 -9.4609 -9.4609 4.7112 4.7112 6.2424 6.2424 6.7030 6.7030 13.5070 13.5070 19.0296 19.0296 22.2000 22.2000 23.7387 23.7387 k = 0.1442 0.0833 0.2355 ( 1041 PWs) bands (ev): -65.6456 -65.6456 -32.5785 -32.5785 -32.2970 -32.2970 -32.2832 -32.2832 -9.4883 -9.4883 4.7917 4.7917 6.2860 6.2860 6.7166 6.7166 13.3963 13.3963 19.1099 19.1099 22.2657 22.2657 23.6493 23.6493 k = 0.1394 0.0805 0.2277 ( 1035 PWs) bands (ev): -65.6457 -65.6457 -32.5778 -32.5778 -32.2960 -32.2960 -32.2828 -32.2828 -9.5153 -9.5153 4.8741 4.8741 6.3281 6.3281 6.7298 6.7298 13.2858 13.2858 19.1945 19.1945 22.3258 22.3258 23.5628 23.5628 k = 0.1346 0.0777 0.2198 ( 1029 PWs) bands (ev): -65.6458 -65.6458 -32.5771 -32.5771 -32.2950 -32.2950 -32.2825 -32.2825 -9.5419 -9.5419 4.9584 4.9584 6.3689 6.3689 6.7427 6.7427 13.1755 13.1755 19.2834 19.2834 22.3796 22.3796 23.4792 23.4792 k = 0.1298 0.0749 0.2120 ( 1029 PWs) bands (ev): -65.6460 -65.6460 -32.5765 -32.5765 -32.2940 -32.2940 -32.2822 -32.2822 -9.5681 -9.5681 5.0440 5.0440 6.4083 6.4083 6.7551 6.7551 13.0655 13.0655 19.3764 19.3764 22.4269 22.4269 23.3985 23.3985 k = 0.1250 0.0722 0.2041 ( 1029 PWs) bands (ev): -65.6461 -65.6461 -32.5758 -32.5758 -32.2931 -32.2931 -32.2819 -32.2819 -9.5937 -9.5937 5.1311 5.1311 6.4462 6.4462 6.7671 6.7671 12.9559 12.9559 19.4736 19.4736 22.4678 22.4678 23.3208 23.3208 k = 0.1202 0.0694 0.1963 ( 1029 PWs) bands (ev): -65.6463 -65.6463 -32.5752 -32.5752 -32.2921 -32.2921 -32.2816 -32.2816 -9.6188 -9.6188 5.2194 5.2194 6.4827 6.4827 6.7786 6.7786 12.8467 12.8467 19.5749 19.5749 22.5020 22.5020 23.2460 23.2460 k = 0.1154 0.0666 0.1884 ( 1029 PWs) bands (ev): -65.6464 -65.6464 -32.5746 -32.5746 -32.2912 -32.2912 -32.2814 -32.2814 -9.6434 -9.6434 5.3087 5.3087 6.5177 6.5177 6.7898 6.7898 12.7382 12.7382 19.6802 19.6802 22.5297 22.5297 23.1741 23.1741 k = 0.1106 0.0638 0.1806 ( 1021 PWs) bands (ev): -65.6465 -65.6465 -32.5740 -32.5740 -32.2903 -32.2903 -32.2811 -32.2811 -9.6672 -9.6672 5.3989 5.3989 6.5512 6.5512 6.8006 6.8006 12.6304 12.6304 19.7894 19.7894 22.5511 22.5511 23.1051 23.1051 k = 0.1058 0.0611 0.1727 ( 1023 PWs) bands (ev): -65.6467 -65.6467 -32.5734 -32.5734 -32.2894 -32.2894 -32.2808 -32.2808 -9.6904 -9.6904 5.4897 5.4897 6.5832 6.5832 6.8109 6.8109 12.5235 12.5235 19.9023 19.9023 22.5661 22.5661 23.0391 23.0391 k = 0.1010 0.0583 0.1649 ( 1023 PWs) bands (ev): -65.6468 -65.6468 -32.5728 -32.5728 -32.2885 -32.2885 -32.2806 -32.2806 -9.7128 -9.7128 5.5809 5.5809 6.6138 6.6138 6.8207 6.8207 12.4175 12.4175 20.0190 20.0190 22.5753 22.5753 22.9760 22.9760 k = 0.0962 0.0555 0.1570 ( 1023 PWs) bands (ev): -65.6469 -65.6469 -32.5723 -32.5723 -32.2877 -32.2877 -32.2804 -32.2804 -9.7345 -9.7345 5.6722 5.6722 6.6428 6.6428 6.8302 6.8302 12.3127 12.3127 20.1392 20.1392 22.5791 22.5791 22.9158 22.9158 k = 0.0913 0.0527 0.1492 ( 1021 PWs) bands (ev): -65.6471 -65.6471 -32.5717 -32.5717 -32.2868 -32.2868 -32.2802 -32.2802 -9.7553 -9.7553 5.7634 5.7634 6.6703 6.6703 6.8392 6.8392 12.2093 12.2093 20.2627 20.2627 22.5780 22.5780 22.8585 22.8585 k = 0.0865 0.0500 0.1413 ( 1021 PWs) bands (ev): -65.6472 -65.6472 -32.5712 -32.5712 -32.2860 -32.2860 -32.2800 -32.2800 -9.7753 -9.7753 5.8541 5.8541 6.6963 6.6963 6.8478 6.8478 12.1075 12.1075 20.3892 20.3892 22.5725 22.5725 22.8042 22.8042 k = 0.0817 0.0472 0.1335 ( 1021 PWs) bands (ev): -65.6473 -65.6473 -32.5708 -32.5708 -32.2852 -32.2852 -32.2798 -32.2798 -9.7945 -9.7945 5.9441 5.9441 6.7209 6.7209 6.8559 6.8559 12.0074 12.0074 20.5185 20.5185 22.5633 22.5633 22.7528 22.7528 k = 0.0769 0.0444 0.1256 ( 1017 PWs) bands (ev): -65.6474 -65.6474 -32.5703 -32.5703 -32.2844 -32.2844 -32.2796 -32.2796 -9.8127 -9.8127 6.0331 6.0331 6.7439 6.7439 6.8637 6.8637 11.9094 11.9094 20.6503 20.6503 22.5508 22.5508 22.7044 22.7044 k = 0.0721 0.0416 0.1178 ( 1021 PWs) bands (ev): -65.6475 -65.6475 -32.5699 -32.5699 -32.2838 -32.2838 -32.2795 -32.2795 -9.8300 -9.8300 6.1206 6.1206 6.7654 6.7654 6.8710 6.8710 11.8138 11.8138 20.7840 20.7840 22.5355 22.5355 22.6589 22.6589 k = 0.0673 0.0389 0.1099 ( 1021 PWs) bands (ev): -65.6476 -65.6476 -32.5694 -32.5694 -32.2831 -32.2831 -32.2793 -32.2793 -9.8462 -9.8462 6.2062 6.2062 6.7854 6.7854 6.8779 6.8779 11.7209 11.7209 20.9194 20.9194 22.5184 22.5184 22.6163 22.6163 k = 0.0625 0.0361 0.1021 ( 1025 PWs) bands (ev): -65.6477 -65.6477 -32.5691 -32.5691 -32.2825 -32.2825 -32.2792 -32.2792 -9.8615 -9.8615 6.2896 6.2896 6.8039 6.8039 6.8842 6.8842 11.6310 11.6310 21.0558 21.0558 22.4999 22.4999 22.5765 22.5765 k = 0.0577 0.0333 0.0942 ( 1023 PWs) bands (ev): -65.6478 -65.6478 -32.5687 -32.5687 -32.2819 -32.2819 -32.2791 -32.2791 -9.8758 -9.8758 6.3702 6.3702 6.8210 6.8210 6.8903 6.8903 11.5446 11.5446 21.1925 21.1925 22.4807 22.4807 22.5398 22.5398 k = 0.0529 0.0305 0.0864 ( 1023 PWs) bands (ev): -65.6478 -65.6478 -32.5684 -32.5684 -32.2813 -32.2813 -32.2789 -32.2789 -9.8890 -9.8890 6.4476 6.4476 6.8365 6.8365 6.8960 6.8960 11.4622 11.4622 21.3287 21.3287 22.4610 22.4610 22.5060 22.5060 k = 0.0481 0.0278 0.0785 ( 1023 PWs) bands (ev): -65.6479 -65.6479 -32.5681 -32.5681 -32.2808 -32.2808 -32.2788 -32.2788 -9.9011 -9.9011 6.5211 6.5211 6.8506 6.8506 6.9014 6.9014 11.3841 11.3841 21.4634 21.4634 22.4415 22.4415 22.4751 22.4752 k = 0.0433 0.0250 0.0707 ( 1023 PWs) bands (ev): -65.6480 -65.6480 -32.5678 -32.5678 -32.2803 -32.2803 -32.2787 -32.2787 -9.9121 -9.9121 6.5902 6.5902 6.8632 6.8632 6.9064 6.9064 11.3110 11.3110 21.5953 21.5953 22.4226 22.4226 22.4472 22.4472 k = 0.0385 0.0222 0.0628 ( 1023 PWs) bands (ev): -65.6480 -65.6480 -32.5675 -32.5675 -32.2799 -32.2799 -32.2786 -32.2786 -9.9221 -9.9221 6.6543 6.6543 6.8743 6.8743 6.9111 6.9111 11.2433 11.2433 21.7231 21.7231 22.4046 22.4046 22.4223 22.4223 k = 0.0337 0.0194 0.0550 ( 1023 PWs) bands (ev): -65.6481 -65.6481 -32.5673 -32.5673 -32.2795 -32.2795 -32.2786 -32.2786 -9.9309 -9.9309 6.7126 6.7126 6.8839 6.8839 6.9155 6.9155 11.1818 11.1818 21.8449 21.8449 22.3880 22.3880 22.4002 22.4002 k = 0.0288 0.0167 0.0471 ( 1023 PWs) bands (ev): -65.6481 -65.6481 -32.5671 -32.5671 -32.2792 -32.2792 -32.2785 -32.2785 -9.9385 -9.9385 6.7646 6.7646 6.8923 6.8923 6.9196 6.9196 11.1268 11.1268 21.9588 21.9588 22.3730 22.3730 22.3812 22.3812 k = 0.0240 0.0139 0.0393 ( 1023 PWs) bands (ev): -65.6482 -65.6482 -32.5670 -32.5670 -32.2789 -32.2789 -32.2784 -32.2784 -9.9450 -9.9450 6.8093 6.8093 6.8996 6.8996 6.9234 6.9234 11.0792 11.0792 22.0622 22.0622 22.3598 22.3598 22.3650 22.3650 k = 0.0192 0.0111 0.0314 ( 1033 PWs) bands (ev): -65.6482 -65.6482 -32.5669 -32.5669 -32.2787 -32.2787 -32.2785 -32.2785 -9.9503 -9.9503 6.8456 6.8456 6.9062 6.9062 6.9266 6.9266 11.0392 11.0392 22.1523 22.1523 22.3487 22.3487 22.3516 22.3516 k = 0.0144 0.0083 0.0236 ( 1033 PWs) bands (ev): -65.6482 -65.6482 -32.5668 -32.5668 -32.2786 -32.2786 -32.2784 -32.2784 -9.9545 -9.9545 6.8721 6.8721 6.9136 6.9136 6.9294 6.9294 11.0076 11.0076 22.2266 22.2266 22.3399 22.3399 22.3413 22.3413 k = 0.0096 0.0056 0.0157 ( 1039 PWs) bands (ev): -65.6483 -65.6483 -32.5667 -32.5667 -32.2785 -32.2785 -32.2784 -32.2784 -9.9574 -9.9574 6.8875 6.8875 6.9223 6.9223 6.9315 6.9315 10.9846 10.9846 22.2819 22.2819 22.3332 22.3332 22.3339 22.3339 k = 0.0048 0.0028 0.0079 ( 1037 PWs) bands (ev): -65.6483 -65.6483 -32.5667 -32.5667 -32.2784 -32.2784 -32.2784 -32.2784 -9.9592 -9.9592 6.8944 6.8944 6.9302 6.9302 6.9328 6.9328 10.9707 10.9707 22.3164 22.3164 22.3294 22.3294 22.3295 22.3295 k = 0.0000 0.0000 0.0000 ( 1037 PWs) bands (ev): -65.6483 -65.6483 -32.5667 -32.5667 -32.2784 -32.2784 -32.2784 -32.2784 -9.9598 -9.9598 6.8963 6.8963 6.9332 6.9332 6.9332 6.9332 10.9661 10.9661 22.3281 22.3281 22.3281 22.3281 22.3281 22.3281 k = 0.0000 0.0000 0.0000 ( 1037 PWs) bands (ev): -65.6483 -65.6483 -32.5667 -32.5667 -32.2784 -32.2784 -32.2784 -32.2784 -9.9598 -9.9598 6.8963 6.8963 6.9332 6.9332 6.9332 6.9332 10.9661 10.9661 22.3281 22.3281 22.3281 22.3281 22.3281 22.3281 k = 0.0079 0.0046 0.0032 ( 1037 PWs) bands (ev): -65.6483 -65.6483 -32.5667 -32.5667 -32.2784 -32.2784 -32.2784 -32.2784 -9.9592 -9.9592 6.8944 6.8944 6.9301 6.9301 6.9328 6.9328 10.9708 10.9708 22.3161 22.3161 22.3295 22.3295 22.3295 22.3295 k = 0.0159 0.0092 0.0065 ( 1037 PWs) bands (ev): -65.6483 -65.6483 -32.5667 -32.5667 -32.2785 -32.2785 -32.2784 -32.2784 -9.9574 -9.9574 6.8870 6.8870 6.9221 6.9221 6.9317 6.9317 10.9850 10.9850 22.2807 22.2807 22.3338 22.3338 22.3338 22.3338 k = 0.0238 0.0137 0.0097 ( 1034 PWs) bands (ev): -65.6482 -65.6482 -32.5668 -32.5668 -32.2786 -32.2786 -32.2784 -32.2784 -9.9544 -9.9544 6.8705 6.8705 6.9138 6.9138 6.9298 6.9298 11.0084 11.0084 22.2241 22.2241 22.3410 22.3410 22.3411 22.3411 k = 0.0317 0.0183 0.0130 ( 1028 PWs) bands (ev): -65.6482 -65.6482 -32.5669 -32.5669 -32.2787 -32.2787 -32.2784 -32.2784 -9.9501 -9.9501 6.8421 6.8421 6.9075 6.9075 6.9272 6.9272 11.0407 11.0407 22.1479 22.1479 22.3511 22.3511 22.3512 22.3512 k = 0.0397 0.0229 0.0162 ( 1022 PWs) bands (ev): -65.6482 -65.6482 -32.5670 -32.5670 -32.2789 -32.2789 -32.2784 -32.2784 -9.9447 -9.9447 6.8034 6.8034 6.9023 6.9023 6.9238 6.9238 11.0814 11.0814 22.0556 22.0556 22.3640 22.3640 22.3642 22.3642 k = 0.0476 0.0275 0.0194 ( 1022 PWs) bands (ev): -65.6481 -65.6481 -32.5671 -32.5671 -32.2792 -32.2792 -32.2784 -32.2784 -9.9380 -9.9380 6.7559 6.7559 6.8971 6.8971 6.9196 6.9196 11.1299 11.1299 21.9501 21.9501 22.3794 22.3794 22.3796 22.3796 k = 0.0556 0.0321 0.0227 ( 1022 PWs) bands (ev): -65.6481 -65.6481 -32.5673 -32.5673 -32.2796 -32.2796 -32.2785 -32.2785 -9.9302 -9.9302 6.7008 6.7008 6.8917 6.8917 6.9147 6.9147 11.1857 11.1857 21.8342 21.8342 22.3973 22.3973 22.3977 22.3977 k = 0.0635 0.0367 0.0259 ( 1022 PWs) bands (ev): -65.6480 -65.6480 -32.5675 -32.5675 -32.2800 -32.2800 -32.2786 -32.2786 -9.9212 -9.9212 6.6388 6.6388 6.8857 6.8857 6.9090 6.9090 11.2481 11.2481 21.7103 21.7103 22.4177 22.4177 22.4182 22.4182 k = 0.0714 0.0412 0.0292 ( 1022 PWs) bands (ev): -65.6480 -65.6480 -32.5678 -32.5678 -32.2805 -32.2805 -32.2786 -32.2786 -9.9111 -9.9111 6.5706 6.5706 6.8791 6.8791 6.9027 6.9027 11.3165 11.3165 21.5807 21.5807 22.4405 22.4405 22.4410 22.4410 k = 0.0794 0.0458 0.0324 ( 1022 PWs) bands (ev): -65.6479 -65.6479 -32.5681 -32.5681 -32.2810 -32.2810 -32.2787 -32.2787 -9.8998 -9.8998 6.4970 6.4970 6.8720 6.8720 6.8957 6.8957 11.3902 11.3902 21.4471 21.4471 22.4654 22.4654 22.4661 22.4661 k = 0.0873 0.0504 0.0356 ( 1022 PWs) bands (ev): -65.6478 -65.6478 -32.5684 -32.5684 -32.2815 -32.2815 -32.2788 -32.2788 -9.8874 -9.8874 6.4184 6.4184 6.8642 6.8642 6.8880 6.8880 11.4686 11.4686 21.3109 21.3109 22.4923 22.4923 22.4932 22.4932 k = 0.0952 0.0550 0.0389 ( 1016 PWs) bands (ev): -65.6477 -65.6477 -32.5687 -32.5687 -32.2821 -32.2821 -32.2788 -32.2788 -9.8739 -9.8739 6.3356 6.3356 6.8559 6.8559 6.8797 6.8797 11.5511 11.5511 21.1736 21.1736 22.5212 22.5212 22.5223 22.5223 k = 0.1032 0.0596 0.0421 ( 1016 PWs) bands (ev): -65.6477 -65.6477 -32.5691 -32.5691 -32.2827 -32.2827 -32.2789 -32.2789 -9.8594 -9.8594 6.2489 6.2489 6.8470 6.8470 6.8708 6.8708 11.6372 11.6372 21.0359 21.0359 22.5515 22.5515 22.5528 22.5528 k = 0.1111 0.0642 0.0454 ( 1013 PWs) bands (ev): -65.6476 -65.6476 -32.5695 -32.5695 -32.2834 -32.2834 -32.2790 -32.2790 -9.8438 -9.8438 6.1591 6.1591 6.8374 6.8374 6.8613 6.8613 11.7263 11.7263 20.8990 20.8990 22.5831 22.5831 22.5847 22.5847 k = 0.1190 0.0687 0.0486 ( 1013 PWs) bands (ev): -65.6475 -65.6475 -32.5699 -32.5699 -32.2841 -32.2841 -32.2791 -32.2791 -9.8271 -9.8271 6.0663 6.0663 6.8274 6.8274 6.8512 6.8512 11.8179 11.8179 20.7633 20.7633 22.6159 22.6159 22.6177 22.6177 k = 0.1270 0.0733 0.0518 ( 1019 PWs) bands (ev): -65.6474 -65.6474 -32.5704 -32.5704 -32.2849 -32.2849 -32.2793 -32.2793 -9.8095 -9.8095 5.9712 5.9712 6.8168 6.8168 6.8406 6.8406 11.9116 11.9116 20.6294 20.6294 22.6493 22.6493 22.6514 22.6514 k = 0.1349 0.0779 0.0551 ( 1019 PWs) bands (ev): -65.6473 -65.6473 -32.5708 -32.5708 -32.2857 -32.2857 -32.2794 -32.2794 -9.7909 -9.7909 5.8740 5.8740 6.8057 6.8057 6.8295 6.8295 12.0069 12.0069 20.4980 20.4980 22.6831 22.6831 22.6856 22.6856 k = 0.1429 0.0825 0.0583 ( 1025 PWs) bands (ev): -65.6472 -65.6472 -32.5714 -32.5714 -32.2866 -32.2866 -32.2796 -32.2796 -9.7714 -9.7714 5.7751 5.7751 6.7942 6.7942 6.8180 6.8180 12.1034 12.1034 20.3694 20.3694 22.7171 22.7171 22.7200 22.7200 k = 0.1508 0.0871 0.0616 ( 1025 PWs) bands (ev): -65.6470 -65.6470 -32.5719 -32.5719 -32.2875 -32.2875 -32.2797 -32.2797 -9.7510 -9.7510 5.6749 5.6749 6.7823 6.7823 6.8060 6.8060 12.2008 12.2008 20.2439 20.2439 22.7508 22.7508 22.7541 22.7541 k = 0.1587 0.0916 0.0648 ( 1025 PWs) bands (ev): -65.6469 -65.6469 -32.5724 -32.5724 -32.2884 -32.2884 -32.2798 -32.2798 -9.7298 -9.7298 5.5737 5.5737 6.7700 6.7700 6.7936 6.7936 12.2986 12.2986 20.1220 20.1220 22.7837 22.7837 22.7875 22.7875 k = 0.1667 0.0962 0.0680 ( 1025 PWs) bands (ev): -65.6468 -65.6468 -32.5730 -32.5730 -32.2893 -32.2893 -32.2800 -32.2800 -9.7077 -9.7077 5.4716 5.4716 6.7573 6.7573 6.7809 6.7809 12.3966 12.3966 20.0038 20.0038 22.8155 22.8155 22.8198 22.8198 k = 0.1746 0.1008 0.0713 ( 1025 PWs) bands (ev): -65.6467 -65.6467 -32.5736 -32.5736 -32.2903 -32.2903 -32.2801 -32.2801 -9.6849 -9.6849 5.3690 5.3690 6.7443 6.7443 6.7678 6.7678 12.4944 12.4944 19.8897 19.8897 22.8458 22.8458 22.8507 22.8507 k = 0.1825 0.1054 0.0745 ( 1025 PWs) bands (ev): -65.6465 -65.6465 -32.5742 -32.5742 -32.2913 -32.2913 -32.2803 -32.2803 -9.6613 -9.6613 5.2661 5.2661 6.7310 6.7310 6.7545 6.7545 12.5917 12.5917 19.7798 19.7798 22.8741 22.8741 22.8796 22.8796 k = 0.1905 0.1100 0.0778 ( 1037 PWs) bands (ev): -65.6464 -65.6464 -32.5748 -32.5748 -32.2923 -32.2923 -32.2805 -32.2805 -9.6370 -9.6370 5.1630 5.1630 6.7174 6.7174 6.7409 6.7409 12.6881 12.6881 19.6742 19.6742 22.9000 22.9000 22.9062 22.9062 k = 0.1984 0.1146 0.0810 ( 1037 PWs) bands (ev): -65.6463 -65.6463 -32.5755 -32.5755 -32.2933 -32.2933 -32.2807 -32.2807 -9.6122 -9.6122 5.0601 5.0601 6.7037 6.7037 6.7271 6.7271 12.7836 12.7836 19.5732 19.5732 22.9232 22.9232 22.9301 22.9301 k = 0.2063 0.1191 0.0842 ( 1037 PWs) bands (ev): -65.6461 -65.6461 -32.5761 -32.5761 -32.2944 -32.2944 -32.2808 -32.2808 -9.5867 -9.5867 4.9575 4.9575 6.6898 6.6898 6.7131 6.7131 12.8776 12.8776 19.4770 19.4770 22.9433 22.9433 22.9509 22.9509 k = 0.2143 0.1237 0.0875 ( 1025 PWs) bands (ev): -65.6460 -65.6460 -32.5767 -32.5767 -32.2953 -32.2953 -32.2809 -32.2809 -9.5607 -9.5607 4.8554 4.8554 6.6759 6.6759 6.6991 6.6991 12.9700 12.9700 19.3857 19.3857 22.9605 22.9605 22.9689 22.9689 k = 0.2222 0.1283 0.0907 ( 1025 PWs) bands (ev): -65.6458 -65.6458 -32.5773 -32.5773 -32.2964 -32.2964 -32.2811 -32.2811 -9.5342 -9.5342 4.7539 4.7539 6.6617 6.6617 6.6849 6.6849 13.0606 13.0606 19.2993 19.2993 22.9737 22.9737 22.9829 22.9829 k = 0.2302 0.1329 0.0940 ( 1028 PWs) bands (ev): -65.6457 -65.6457 -32.5780 -32.5780 -32.2975 -32.2975 -32.2812 -32.2812 -9.5073 -9.5073 4.6532 4.6532 6.6475 6.6475 6.6706 6.6706 13.1489 13.1489 19.2180 19.2180 22.9831 22.9831 22.9932 22.9932 k = 0.2381 0.1375 0.0972 ( 1028 PWs) bands (ev): -65.6455 -65.6455 -32.5787 -32.5787 -32.2985 -32.2985 -32.2814 -32.2814 -9.4800 -9.4800 4.5535 4.5535 6.6332 6.6332 6.6563 6.6563 13.2350 13.2350 19.1418 19.1418 22.9888 22.9888 22.9997 22.9997 k = 0.2460 0.1420 0.1004 ( 1029 PWs) bands (ev): -65.6454 -65.6454 -32.5794 -32.5794 -32.2996 -32.2996 -32.2816 -32.2816 -9.4525 -9.4525 4.4549 4.4549 6.6190 6.6190 6.6420 6.6420 13.3184 13.3184 19.0709 19.0709 22.9907 22.9907 23.0025 23.0025 k = 0.2540 0.1466 0.1037 ( 1029 PWs) bands (ev): -65.6452 -65.6452 -32.5801 -32.5801 -32.3006 -32.3006 -32.2817 -32.2817 -9.4247 -9.4247 4.3576 4.3576 6.6048 6.6048 6.6277 6.6277 13.3991 13.3991 19.0051 19.0051 22.9890 22.9890 23.0017 23.0017 k = 0.2619 0.1512 0.1069 ( 1035 PWs) bands (ev): -65.6451 -65.6451 -32.5808 -32.5808 -32.3017 -32.3017 -32.2819 -32.2819 -9.3968 -9.3968 4.2616 4.2616 6.5906 6.5906 6.6134 6.6134 13.4767 13.4767 18.9447 18.9447 22.9838 22.9838 22.9974 22.9974 k = 0.2698 0.1558 0.1102 ( 1035 PWs) bands (ev): -65.6450 -65.6450 -32.5815 -32.5815 -32.3028 -32.3028 -32.2821 -32.2821 -9.3687 -9.3687 4.1673 4.1673 6.5766 6.5766 6.5993 6.5993 13.5512 13.5512 18.8895 18.8895 22.9755 22.9755 22.9899 22.9899 k = 0.2778 0.1604 0.1134 ( 1035 PWs) bands (ev): -65.6448 -65.6448 -32.5822 -32.5822 -32.3038 -32.3038 -32.2823 -32.2823 -9.3406 -9.3406 4.0746 4.0746 6.5627 6.5627 6.5854 6.5854 13.6224 13.6224 18.8396 18.8396 22.9642 22.9642 22.9794 22.9794 k = 0.2857 0.1650 0.1166 ( 1035 PWs) bands (ev): -65.6447 -65.6447 -32.5829 -32.5829 -32.3048 -32.3048 -32.2824 -32.2824 -9.3126 -9.3126 3.9838 3.9838 6.5490 6.5490 6.5716 6.5716 13.6901 13.6901 18.7949 18.7949 22.9503 22.9503 22.9663 22.9663 k = 0.2937 0.1695 0.1199 ( 1035 PWs) bands (ev): -65.6445 -65.6445 -32.5835 -32.5835 -32.3058 -32.3058 -32.2826 -32.2826 -9.2846 -9.2846 3.8950 3.8950 6.5354 6.5354 6.5580 6.5580 13.7543 13.7543 18.7552 18.7552 22.9342 22.9342 22.9509 22.9509 k = 0.3016 0.1741 0.1231 ( 1047 PWs) bands (ev): -65.6444 -65.6444 -32.5843 -32.5843 -32.3069 -32.3069 -32.2828 -32.2828 -9.2569 -9.2569 3.8081 3.8081 6.5221 6.5221 6.5446 6.5446 13.8148 13.8148 18.7206 18.7206 22.9159 22.9159 22.9334 22.9334 k = 0.3095 0.1787 0.1264 ( 1047 PWs) bands (ev): -65.6443 -65.6443 -32.5849 -32.5849 -32.3078 -32.3078 -32.2830 -32.2830 -9.2294 -9.2294 3.7235 3.7235 6.5091 6.5091 6.5315 6.5315 13.8717 13.8717 18.6908 18.6908 22.8962 22.8962 22.9143 22.9143 k = 0.3175 0.1833 0.1296 ( 1044 PWs) bands (ev): -65.6441 -65.6441 -32.5856 -32.5856 -32.3087 -32.3087 -32.2831 -32.2831 -9.2022 -9.2022 3.6413 3.6413 6.4964 6.4964 6.5188 6.5188 13.9251 13.9251 18.6657 18.6657 22.8754 22.8754 22.8941 22.8941 k = 0.3254 0.1879 0.1328 ( 1044 PWs) bands (ev): -65.6440 -65.6440 -32.5862 -32.5862 -32.3097 -32.3097 -32.2833 -32.2833 -9.1755 -9.1755 3.5615 3.5615 6.4840 6.4840 6.5064 6.5064 13.9745 13.9745 18.6451 18.6451 22.8535 22.8535 22.8728 22.8728 k = 0.3333 0.1925 0.1361 ( 1044 PWs) bands (ev): -65.6439 -65.6439 -32.5868 -32.5868 -32.3105 -32.3105 -32.2834 -32.2834 -9.1492 -9.1492 3.4843 3.4843 6.4720 6.4720 6.4943 6.4943 14.0203 14.0203 18.6287 18.6287 22.8309 22.8309 22.8508 22.8508 k = 0.3413 0.1970 0.1393 ( 1044 PWs) bands (ev): -65.6437 -65.6437 -32.5875 -32.5875 -32.3114 -32.3114 -32.2836 -32.2836 -9.1235 -9.1235 3.4097 3.4097 6.4604 6.4604 6.4826 6.4826 14.0625 14.0625 18.6162 18.6162 22.8080 22.8080 22.8283 22.8283 k = 0.3492 0.2016 0.1426 ( 1044 PWs) bands (ev): -65.6436 -65.6436 -32.5880 -32.5880 -32.3122 -32.3122 -32.2837 -32.2837 -9.0984 -9.0984 3.3380 3.3380 6.4491 6.4491 6.4713 6.4713 14.1012 14.1012 18.6075 18.6075 22.7849 22.7849 22.8057 22.8057 k = 0.3571 0.2062 0.1458 ( 1044 PWs) bands (ev): -65.6435 -65.6435 -32.5886 -32.5886 -32.3130 -32.3130 -32.2839 -32.2839 -9.0740 -9.0740 3.2692 3.2692 6.4383 6.4383 6.4604 6.4604 14.1365 14.1365 18.6022 18.6022 22.7618 22.7618 22.7831 22.7831 k = 0.3651 0.2108 0.1490 ( 1044 PWs) bands (ev): -65.6434 -65.6434 -32.5892 -32.5892 -32.3138 -32.3138 -32.2840 -32.2840 -9.0505 -9.0505 3.2034 3.2034 6.4280 6.4280 6.4500 6.4500 14.1685 14.1685 18.5999 18.5999 22.7391 22.7391 22.7607 22.7607 k = 0.3730 0.2154 0.1523 ( 1038 PWs) bands (ev): -65.6433 -65.6433 -32.5897 -32.5897 -32.3145 -32.3145 -32.2841 -32.2841 -9.0278 -9.0278 3.1407 3.1407 6.4181 6.4181 6.4401 6.4401 14.1976 14.1976 18.6001 18.6001 22.7171 22.7171 22.7391 22.7391 k = 0.3810 0.2199 0.1555 ( 1038 PWs) bands (ev): -65.6432 -65.6432 -32.5902 -32.5902 -32.3152 -32.3152 -32.2842 -32.2842 -9.0060 -9.0060 3.0813 3.0813 6.4087 6.4087 6.4306 6.4306 14.2235 14.2235 18.6027 18.6027 22.6955 22.6955 22.7179 22.7179 k = 0.3889 0.2245 0.1588 ( 1038 PWs) bands (ev): -65.6431 -65.6431 -32.5907 -32.5907 -32.3158 -32.3158 -32.2843 -32.2843 -8.9853 -8.9853 3.0252 3.0252 6.3998 6.3998 6.4217 6.4217 14.2467 14.2467 18.6073 18.6073 22.6747 22.6747 22.6974 22.6974 k = 0.3968 0.2291 0.1620 ( 1038 PWs) bands (ev): -65.6430 -65.6430 -32.5911 -32.5911 -32.3164 -32.3164 -32.2844 -32.2844 -8.9657 -8.9657 2.9725 2.9725 6.3915 6.3915 6.4133 6.4133 14.2673 14.2673 18.6134 18.6134 22.6549 22.6549 22.6778 22.6778 k = 0.4048 0.2337 0.1652 ( 1038 PWs) bands (ev): -65.6429 -65.6429 -32.5915 -32.5915 -32.3170 -32.3170 -32.2845 -32.2845 -8.9472 -8.9472 2.9233 2.9233 6.3837 6.3837 6.4055 6.4055 14.2856 14.2856 18.6207 18.6207 22.6361 22.6361 22.6593 22.6593 k = 0.4127 0.2383 0.1685 ( 1038 PWs) bands (ev): -65.6428 -65.6428 -32.5919 -32.5919 -32.3176 -32.3176 -32.2846 -32.2846 -8.9299 -8.9299 2.8777 2.8777 6.3765 6.3765 6.3982 6.3982 14.3015 14.3015 18.6289 18.6289 22.6185 22.6185 22.6419 22.6419 k = 0.4206 0.2429 0.1717 ( 1038 PWs) bands (ev): -65.6427 -65.6427 -32.5923 -32.5923 -32.3180 -32.3180 -32.2847 -32.2847 -8.9139 -8.9139 2.8358 2.8358 6.3698 6.3698 6.3915 6.3915 14.3155 14.3155 18.6376 18.6376 22.6021 22.6021 22.6258 22.6258 k = 0.4286 0.2474 0.1750 ( 1038 PWs) bands (ev): -65.6427 -65.6427 -32.5927 -32.5927 -32.3185 -32.3185 -32.2848 -32.2848 -8.8992 -8.8992 2.7976 2.7976 6.3638 6.3638 6.3855 6.3855 14.3276 14.3276 18.6465 18.6465 22.5871 22.5871 22.6109 22.6109 k = 0.4365 0.2520 0.1782 ( 1038 PWs) bands (ev): -65.6426 -65.6426 -32.5930 -32.5930 -32.3189 -32.3189 -32.2848 -32.2848 -8.8859 -8.8859 2.7633 2.7633 6.3583 6.3583 6.3800 6.3800 14.3379 14.3379 18.6553 18.6553 22.5735 22.5735 22.5975 22.5975 k = 0.4444 0.2566 0.1814 ( 1038 PWs) bands (ev): -65.6425 -65.6425 -32.5932 -32.5932 -32.3193 -32.3193 -32.2849 -32.2849 -8.8741 -8.8741 2.7328 2.7328 6.3535 6.3535 6.3751 6.3751 14.3467 14.3467 18.6638 18.6638 22.5613 22.5613 22.5855 22.5855 k = 0.4524 0.2612 0.1847 ( 1038 PWs) bands (ev): -65.6425 -65.6425 -32.5935 -32.5935 -32.3196 -32.3196 -32.2850 -32.2850 -8.8638 -8.8638 2.7063 2.7063 6.3493 6.3493 6.3709 6.3709 14.3540 14.3540 18.6716 18.6716 22.5507 22.5507 22.5750 22.5750 k = 0.4603 0.2658 0.1879 ( 1044 PWs) bands (ev): -65.6425 -65.6425 -32.5937 -32.5937 -32.3199 -32.3199 -32.2850 -32.2850 -8.8549 -8.8549 2.6838 2.6838 6.3457 6.3457 6.3673 6.3673 14.3600 14.3600 18.6786 18.6786 22.5414 22.5414 22.5658 22.5658 k = 0.4683 0.2703 0.1912 ( 1044 PWs) bands (ev): -65.6424 -65.6424 -32.5939 -32.5939 -32.3201 -32.3201 -32.2851 -32.2851 -8.8477 -8.8477 2.6653 2.6653 6.3427 6.3427 6.3643 6.3643 14.3648 14.3648 18.6846 18.6846 22.5340 22.5340 22.5584 22.5584 k = 0.4762 0.2749 0.1944 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5941 -32.5941 -32.3204 -32.3204 -32.2851 -32.2851 -8.8420 -8.8420 2.6508 2.6508 6.3404 6.3404 6.3620 6.3620 14.3679 14.3679 18.6893 18.6893 22.5280 22.5280 22.5526 22.5526 k = 0.4841 0.2795 0.1976 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5942 -32.5942 -32.3205 -32.3205 -32.2851 -32.2851 -8.8379 -8.8379 2.6404 2.6404 6.3388 6.3388 6.3603 6.3603 14.3705 14.3705 18.6929 18.6929 22.5238 22.5238 22.5484 22.5484 k = 0.4921 0.2841 0.2009 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2852 -32.2852 -8.8355 -8.8355 2.6343 2.6343 6.3378 6.3378 6.3593 6.3593 14.3720 14.3720 18.6950 18.6950 22.5213 22.5213 22.5459 22.5459 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2852 -32.2852 -8.8347 -8.8347 2.6322 2.6322 6.3374 6.3374 6.3590 6.3590 14.3725 14.3725 18.6958 18.6958 22.5205 22.5205 22.5451 22.5451 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2852 -32.2852 -8.8347 -8.8347 2.6322 2.6322 6.3374 6.3374 6.3590 6.3590 14.3725 14.3725 18.6958 18.6958 22.5205 22.5205 22.5451 22.5451 k = 0.5028 0.2807 0.2087 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2852 -32.2852 -8.8344 -8.8344 2.6331 2.6331 6.3359 6.3359 6.3576 6.3576 14.3758 14.3758 18.6953 18.6953 22.5149 22.5149 22.5421 22.5421 k = 0.5056 0.2726 0.2132 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2852 -32.2852 -8.8338 -8.8338 2.6359 2.6359 6.3307 6.3307 6.3539 6.3539 14.3858 14.3858 18.6937 18.6937 22.4895 22.4895 22.5420 22.5420 k = 0.5083 0.2646 0.2177 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2853 -32.2853 -8.8327 -8.8327 2.6405 2.6405 6.3206 6.3206 6.3493 6.3493 14.4024 14.4024 18.6912 18.6912 22.4421 22.4421 22.5482 22.5482 k = 0.5111 0.2566 0.2223 ( 1050 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2854 -32.2854 -8.8312 -8.8312 2.6470 2.6470 6.3048 6.3048 6.3447 6.3447 14.4255 14.4255 18.6877 18.6877 22.3769 22.3769 22.5585 22.5585 k = 0.5139 0.2486 0.2268 ( 1050 PWs) bands (ev): -65.6423 -65.6423 -32.5943 -32.5943 -32.3205 -32.3205 -32.2856 -32.2856 -8.8292 -8.8292 2.6553 2.6553 6.2834 6.2834 6.3400 6.3400 14.4550 14.4550 18.6832 18.6832 22.2957 22.2957 22.5721 22.5721 k = 0.5167 0.2406 0.2313 ( 1052 PWs) bands (ev): -65.6423 -65.6423 -32.5944 -32.5944 -32.3205 -32.3205 -32.2858 -32.2858 -8.8269 -8.8269 2.6654 2.6654 6.2569 6.2569 6.3348 6.3348 14.4906 14.4906 18.6776 18.6776 22.2013 22.2013 22.5887 22.5887 k = 0.5194 0.2325 0.2359 ( 1052 PWs) bands (ev): -65.6423 -65.6423 -32.5944 -32.5944 -32.3205 -32.3205 -32.2860 -32.2860 -8.8241 -8.8241 2.6773 2.6773 6.2257 6.2257 6.3291 6.3291 14.5322 14.5322 18.6711 18.6711 22.0960 22.0960 22.6083 22.6083 k = 0.5222 0.2245 0.2404 ( 1050 PWs) bands (ev): -65.6423 -65.6423 -32.5944 -32.5944 -32.3205 -32.3205 -32.2863 -32.2863 -8.8209 -8.8209 2.6911 2.6911 6.1901 6.1901 6.3228 6.3228 14.5795 14.5795 18.6637 18.6637 21.9817 21.9817 22.6308 22.6308 k = 0.5250 0.2165 0.2449 ( 1048 PWs) bands (ev): -65.6422 -65.6422 -32.5945 -32.5945 -32.3204 -32.3204 -32.2866 -32.2866 -8.8173 -8.8173 2.7066 2.7066 6.1504 6.1504 6.3158 6.3158 14.6323 14.6323 18.6553 18.6553 21.8604 21.8604 22.6560 22.6560 k = 0.5278 0.2085 0.2495 ( 1048 PWs) bands (ev): -65.6422 -65.6422 -32.5945 -32.5945 -32.3204 -32.3204 -32.2869 -32.2869 -8.8133 -8.8133 2.7239 2.7239 6.1068 6.1068 6.3081 6.3081 14.6902 14.6902 18.6460 18.6460 21.7335 21.7335 22.6839 22.6839 k = 0.5306 0.2005 0.2540 ( 1046 PWs) bands (ev): -65.6422 -65.6422 -32.5946 -32.5946 -32.3203 -32.3203 -32.2872 -32.2872 -8.8090 -8.8090 2.7430 2.7430 6.0596 6.0596 6.2998 6.2998 14.7529 14.7529 18.6357 18.6357 21.6026 21.6026 22.7142 22.7142 k = 0.5333 0.1925 0.2586 ( 1040 PWs) bands (ev): -65.6421 -65.6421 -32.5946 -32.5946 -32.3202 -32.3202 -32.2876 -32.2876 -8.8043 -8.8043 2.7638 2.7638 6.0089 6.0089 6.2909 6.2909 14.8204 14.8204 18.6246 18.6246 21.4688 21.4688 22.7470 22.7470 k = 0.5361 0.1844 0.2631 ( 1041 PWs) bands (ev): -65.6421 -65.6421 -32.5947 -32.5947 -32.3202 -32.3202 -32.2880 -32.2880 -8.7993 -8.7993 2.7863 2.7863 5.9552 5.9552 6.2813 6.2813 14.8917 14.8917 18.6125 18.6125 21.3328 21.3328 22.7821 22.7821 k = 0.5389 0.1764 0.2676 ( 1043 PWs) bands (ev): -65.6420 -65.6420 -32.5948 -32.5948 -32.3202 -32.3202 -32.2885 -32.2885 -8.7939 -8.7939 2.8104 2.8104 5.8987 5.8987 6.2711 6.2711 14.9669 14.9669 18.5997 18.5997 21.1958 21.1958 22.8192 22.8192 k = 0.5417 0.1684 0.2722 ( 1045 PWs) bands (ev): -65.6420 -65.6420 -32.5949 -32.5949 -32.3201 -32.3201 -32.2890 -32.2890 -8.7882 -8.7882 2.8362 2.8362 5.8396 5.8396 6.2604 6.2604 15.0454 15.0454 18.5860 18.5860 21.0585 21.0585 22.8582 22.8582 k = 0.5444 0.1604 0.2767 ( 1045 PWs) bands (ev): -65.6419 -65.6419 -32.5950 -32.5950 -32.3201 -32.3201 -32.2894 -32.2894 -8.7823 -8.7823 2.8636 2.8636 5.7783 5.7783 6.2492 6.2492 15.1269 15.1269 18.5716 18.5716 20.9217 20.9217 22.8991 22.8991 k = 0.5472 0.1524 0.2812 ( 1043 PWs) bands (ev): -65.6419 -65.6419 -32.5951 -32.5951 -32.3200 -32.3200 -32.2899 -32.2899 -8.7761 -8.7761 2.8926 2.8926 5.7150 5.7150 6.2375 6.2375 15.2110 15.2110 18.5565 18.5565 20.7857 20.7857 22.9418 22.9418 k = 0.5500 0.1443 0.2858 ( 1041 PWs) bands (ev): -65.6418 -65.6418 -32.5952 -32.5952 -32.3199 -32.3199 -32.2904 -32.2904 -8.7696 -8.7696 2.9231 2.9231 5.6500 5.6500 6.2253 6.2253 15.2972 15.2972 18.5407 18.5407 20.6512 20.6512 22.9858 22.9858 k = 0.5528 0.1363 0.2903 ( 1043 PWs) bands (ev): -65.6418 -65.6418 -32.5953 -32.5953 -32.3199 -32.3199 -32.2910 -32.2910 -8.7630 -8.7630 2.9550 2.9550 5.5834 5.5834 6.2128 6.2128 15.3852 15.3852 18.5243 18.5243 20.5185 20.5185 23.0310 23.0310 k = 0.5556 0.1283 0.2948 ( 1047 PWs) bands (ev): -65.6417 -65.6417 -32.5955 -32.5955 -32.3199 -32.3199 -32.2915 -32.2915 -8.7561 -8.7561 2.9885 2.9885 5.5157 5.5157 6.1998 6.1998 15.4744 15.4744 18.5074 18.5074 20.3878 20.3878 23.0772 23.0772 k = 0.5583 0.1203 0.2994 ( 1043 PWs) bands (ev): -65.6417 -65.6417 -32.5956 -32.5956 -32.3198 -32.3198 -32.2921 -32.2921 -8.7491 -8.7491 3.0233 3.0233 5.4470 5.4470 6.1867 6.1867 15.5644 15.5644 18.4900 18.4900 20.2600 20.2600 23.1247 23.1247 k = 0.5611 0.1123 0.3039 ( 1045 PWs) bands (ev): -65.6416 -65.6416 -32.5957 -32.5957 -32.3197 -32.3197 -32.2926 -32.2926 -8.7419 -8.7419 3.0595 3.0595 5.3776 5.3776 6.1732 6.1732 15.6547 15.6547 18.4722 18.4722 20.1349 20.1349 23.1725 23.1725 k = 0.5639 0.1042 0.3085 ( 1045 PWs) bands (ev): -65.6416 -65.6416 -32.5959 -32.5959 -32.3197 -32.3197 -32.2932 -32.2932 -8.7346 -8.7346 3.0969 3.0969 5.3077 5.3077 6.1594 6.1594 15.7448 15.7448 18.4541 18.4541 20.0129 20.0129 23.2208 23.2208 k = 0.5667 0.0962 0.3130 ( 1047 PWs) bands (ev): -65.6415 -65.6415 -32.5960 -32.5960 -32.3196 -32.3196 -32.2938 -32.2938 -8.7272 -8.7272 3.1356 3.1356 5.2375 5.2375 6.1454 6.1454 15.8341 15.8341 18.4358 18.4358 19.8944 19.8944 23.2693 23.2693 k = 0.5694 0.0882 0.3175 ( 1049 PWs) bands (ev): -65.6415 -65.6415 -32.5962 -32.5962 -32.3195 -32.3195 -32.2944 -32.2944 -8.7198 -8.7198 3.1754 3.1754 5.1674 5.1674 6.1313 6.1313 15.9222 15.9222 18.4175 18.4175 19.7797 19.7797 23.3177 23.3177 k = 0.5722 0.0802 0.3221 ( 1049 PWs) bands (ev): -65.6414 -65.6414 -32.5963 -32.5963 -32.3195 -32.3195 -32.2950 -32.2950 -8.7123 -8.7123 3.2162 3.2162 5.0975 5.0975 6.1171 6.1171 16.0085 16.0085 18.3992 18.3992 19.6689 19.6689 23.3662 23.3662 k = 0.5750 0.0722 0.3266 ( 1050 PWs) bands (ev): -65.6413 -65.6413 -32.5964 -32.5964 -32.3194 -32.3194 -32.2956 -32.2956 -8.7049 -8.7049 3.2580 3.2580 5.0280 5.0280 6.1028 6.1028 16.0922 16.0922 18.3811 18.3811 19.5623 19.5623 23.4140 23.4140 k = 0.5778 0.0642 0.3311 ( 1048 PWs) bands (ev): -65.6413 -65.6413 -32.5966 -32.5966 -32.3193 -32.3193 -32.2961 -32.2961 -8.6975 -8.6975 3.3005 3.3005 4.9594 4.9594 6.0885 6.0885 16.1728 16.1728 18.3633 18.3633 19.4604 19.4604 23.4617 23.4617 k = 0.5806 0.0561 0.3357 ( 1048 PWs) bands (ev): -65.6412 -65.6412 -32.5967 -32.5967 -32.3193 -32.3193 -32.2966 -32.2966 -8.6901 -8.6901 3.3438 3.3438 4.8917 4.8917 6.0743 6.0743 16.2496 16.2496 18.3459 18.3459 19.3632 19.3632 23.5087 23.5087 k = 0.5833 0.0481 0.3402 ( 1040 PWs) bands (ev): -65.6412 -65.6412 -32.5968 -32.5968 -32.3191 -32.3191 -32.2971 -32.2971 -8.6829 -8.6829 3.3876 3.3876 4.8253 4.8253 6.0601 6.0601 16.3221 16.3221 18.3289 18.3289 19.2712 19.2712 23.5555 23.5555 k = 0.5861 0.0401 0.3447 ( 1044 PWs) bands (ev): -65.6411 -65.6411 -32.5970 -32.5970 -32.3191 -32.3191 -32.2977 -32.2977 -8.6758 -8.6758 3.4315 3.4315 4.7604 4.7604 6.0460 6.0460 16.3892 16.3892 18.3124 18.3124 19.1846 19.1846 23.6006 23.6006 k = 0.5889 0.0321 0.3493 ( 1044 PWs) bands (ev): -65.6411 -65.6411 -32.5971 -32.5971 -32.3191 -32.3191 -32.2982 -32.2982 -8.6689 -8.6689 3.4756 3.4756 4.6975 4.6975 6.0321 6.0321 16.4508 16.4508 18.2962 18.2962 19.1042 19.1042 23.6446 23.6446 k = 0.5917 0.0241 0.3538 ( 1044 PWs) bands (ev): -65.6410 -65.6410 -32.5973 -32.5973 -32.3190 -32.3190 -32.2986 -32.2986 -8.6623 -8.6623 3.5193 3.5193 4.6370 4.6370 6.0184 6.0184 16.5061 16.5061 18.2800 18.2800 19.0304 19.0304 23.6875 23.6875 k = 0.5944 0.0160 0.3584 ( 1040 PWs) bands (ev): -65.6410 -65.6410 -32.5974 -32.5974 -32.3189 -32.3189 -32.2991 -32.2991 -8.6558 -8.6558 3.5622 3.5622 4.5794 4.5794 6.0049 6.0049 16.5546 16.5546 18.2635 18.2635 18.9639 18.9639 23.7290 23.7290 k = 0.5972 0.0080 0.3629 ( 1042 PWs) bands (ev): -65.6409 -65.6409 -32.5975 -32.5975 -32.3189 -32.3189 -32.2995 -32.2995 -8.6497 -8.6497 3.6038 3.6038 4.5253 4.5254 5.9916 5.9916 16.5959 16.5959 18.2458 18.2458 18.9053 18.9053 23.7690 23.7690 k = 0.6000 0.0000 0.3674 ( 1042 PWs) bands (ev): -65.6409 -65.6409 -32.5977 -32.5977 -32.3189 -32.3189 -32.2999 -32.2999 -8.6439 -8.6439 3.6432 3.6432 4.4757 4.4757 5.9787 5.9787 16.6299 16.6299 18.2263 18.2263 18.8555 18.8555 23.8075 23.8075 k = 0.6028-0.0080 0.3720 ( 1042 PWs) bands (ev): -65.6408 -65.6408 -32.5978 -32.5978 -32.3189 -32.3189 -32.3003 -32.3003 -8.6385 -8.6385 3.6795 3.6795 4.4316 4.4316 5.9661 5.9661 16.6565 16.6565 18.2039 18.2039 18.8152 18.8152 23.8445 23.8445 k = 0.6056-0.0160 0.3765 ( 1042 PWs) bands (ev): -65.6408 -65.6408 -32.5979 -32.5979 -32.3189 -32.3189 -32.3006 -32.3006 -8.6334 -8.6334 3.7112 3.7112 4.3944 4.3944 5.9539 5.9539 16.6759 16.6759 18.1778 18.1778 18.7846 18.7846 23.8798 23.8798 k = 0.6083-0.0241 0.3810 ( 1043 PWs) bands (ev): -65.6407 -65.6407 -32.5980 -32.5980 -32.3189 -32.3189 -32.3009 -32.3009 -8.6289 -8.6289 3.7367 3.7367 4.3657 4.3657 5.9421 5.9421 16.6884 16.6884 18.1477 18.1477 18.7639 18.7639 23.9133 23.9133 k = 0.6111-0.0321 0.3856 ( 1043 PWs) bands (ev): -65.6407 -65.6407 -32.5981 -32.5981 -32.3189 -32.3189 -32.3012 -32.3012 -8.6247 -8.6247 3.7544 3.7544 4.3474 4.3474 5.9308 5.9308 16.6945 16.6945 18.1135 18.1135 18.7523 18.7523 23.9453 23.9453 k = 0.6139-0.0401 0.3901 ( 1043 PWs) bands (ev): -65.6407 -65.6407 -32.5982 -32.5982 -32.3189 -32.3189 -32.3014 -32.3014 -8.6211 -8.6211 3.7630 3.7630 4.3408 4.3408 5.9199 5.9199 16.6949 16.6949 18.0754 18.0754 18.7487 18.7487 23.9755 23.9755 k = 0.6167-0.0481 0.3946 ( 1041 PWs) bands (ev): -65.6406 -65.6406 -32.5983 -32.5983 -32.3189 -32.3189 -32.3016 -32.3016 -8.6181 -8.6181 3.7620 3.7620 4.3462 4.3462 5.9096 5.9096 16.6901 16.6901 18.0341 18.0341 18.7519 18.7519 24.0042 24.0042 k = 0.6194-0.0561 0.3992 ( 1039 PWs) bands (ev): -65.6406 -65.6406 -32.5984 -32.5984 -32.3189 -32.3189 -32.3017 -32.3017 -8.6156 -8.6156 3.7524 3.7524 4.3628 4.3628 5.8998 5.8998 16.6809 16.6809 17.9901 17.9901 18.7605 18.7605 24.0310 24.0310 k = 0.6222-0.0642 0.4037 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3018 -32.3018 -8.6138 -8.6138 3.7357 3.7357 4.3890 4.3890 5.8905 5.8905 16.6680 16.6680 17.9439 17.9439 18.7731 18.7731 24.0560 24.0560 k = 0.6250-0.0722 0.4082 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3019 -32.3019 -8.6126 -8.6126 3.7139 3.7139 4.4227 4.4227 5.8819 5.8819 16.6521 16.6521 17.8961 17.8961 18.7889 18.7889 24.0794 24.0794 k = 0.6250-0.0722 0.4082 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3019 -32.3019 -8.6126 -8.6126 3.7139 3.7139 4.4227 4.4227 5.8819 5.8819 16.6521 16.6521 17.8961 17.8961 18.7889 18.7889 24.0794 24.0794 k = 0.6202-0.0694 0.4161 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3019 -32.3019 -8.6125 -8.6125 3.7147 3.7147 4.4229 4.4229 5.8798 5.8798 16.6557 16.6557 17.8968 17.8968 18.7876 18.7876 23.9943 23.9943 k = 0.6154-0.0666 0.4240 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3019 -32.3019 -8.6122 -8.6122 3.7170 3.7170 4.4235 4.4235 5.8736 5.8736 16.6666 16.6666 17.8989 17.8989 18.7840 18.7840 23.8602 23.8602 k = 0.6106-0.0638 0.4318 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3189 -32.3189 -32.3020 -32.3020 -8.6117 -8.6117 3.7209 3.7209 4.4245 4.4245 5.8634 5.8634 16.6847 16.6847 17.9024 17.9024 18.7780 18.7780 23.7205 23.7205 k = 0.6058-0.0611 0.4397 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3189 -32.3189 -32.3021 -32.3021 -8.6111 -8.6111 3.7263 3.7263 4.4258 4.4258 5.8493 5.8493 16.7098 16.7098 17.9074 17.9074 18.7696 18.7696 23.5806 23.5806 k = 0.6010-0.0583 0.4475 ( 1049 PWs) bands (ev): -65.6406 -65.6406 -32.5986 -32.5986 -32.3189 -32.3189 -32.3023 -32.3023 -8.6103 -8.6103 3.7332 3.7332 4.4274 4.4274 5.8313 5.8313 16.7416 16.7416 17.9137 17.9137 18.7587 18.7587 23.4413 23.4413 k = 0.5962-0.0555 0.4554 ( 1041 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3187 -32.3187 -32.3023 -32.3023 -8.6093 -8.6093 3.7418 3.7418 4.4293 4.4293 5.8099 5.8099 16.7801 16.7801 17.9215 17.9215 18.7455 18.7455 23.3037 23.3037 k = 0.5913-0.0527 0.4632 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5986 -32.5986 -32.3186 -32.3186 -32.3025 -32.3025 -8.6081 -8.6081 3.7518 3.7518 4.4313 4.4313 5.7852 5.7852 16.8247 16.8247 17.9306 17.9306 18.7300 18.7300 23.1674 23.1674 k = 0.5865-0.0500 0.4711 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5986 -32.5986 -32.3185 -32.3185 -32.3027 -32.3027 -8.6069 -8.6069 3.7634 3.7634 4.4333 4.4333 5.7575 5.7575 16.8752 16.8752 17.9412 17.9412 18.7122 18.7122 23.0333 23.0333 k = 0.5817-0.0472 0.4789 ( 1043 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3184 -32.3184 -32.3029 -32.3029 -8.6055 -8.6055 3.7765 3.7765 4.4351 4.4351 5.7271 5.7271 16.9310 16.9310 17.9531 17.9531 18.6921 18.6921 22.9016 22.9016 k = 0.5769-0.0444 0.4868 ( 1047 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3183 -32.3183 -32.3032 -32.3032 -8.6039 -8.6039 3.7910 3.7910 4.4367 4.4367 5.6945 5.6945 16.9916 16.9916 17.9664 17.9664 18.6699 18.6699 22.7723 22.7723 k = 0.5721-0.0416 0.4946 ( 1043 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3181 -32.3181 -32.3033 -32.3033 -8.6023 -8.6023 3.8071 3.8071 4.4379 4.4379 5.6602 5.6602 17.0566 17.0566 17.9811 17.9811 18.6455 18.6455 22.6466 22.6466 k = 0.5673-0.0389 0.5025 ( 1043 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3180 -32.3180 -32.3036 -32.3036 -8.6006 -8.6006 3.8247 3.8247 4.4383 4.4383 5.6245 5.6245 17.1252 17.1252 17.9971 17.9971 18.6190 18.6190 22.5239 22.5239 k = 0.5625-0.0361 0.5103 ( 1041 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3178 -32.3178 -32.3038 -32.3038 -8.5988 -8.5988 3.8437 3.8437 4.4379 4.4379 5.5880 5.5880 17.1969 17.1969 18.0144 18.0144 18.5905 18.5905 22.4051 22.4051 k = 0.5577-0.0333 0.5182 ( 1045 PWs) bands (ev): -65.6405 -65.6405 -32.5987 -32.5987 -32.3177 -32.3177 -32.3041 -32.3041 -8.5970 -8.5970 3.8641 3.8641 4.4361 4.4361 5.5512 5.5512 17.2709 17.2709 18.0329 18.0329 18.5600 18.5600 22.2904 22.2904 k = 0.5529-0.0305 0.5260 ( 1045 PWs) bands (ev): -65.6405 -65.6405 -32.5987 -32.5987 -32.3176 -32.3176 -32.3043 -32.3043 -8.5952 -8.5952 3.8859 3.8859 4.4328 4.4328 5.5148 5.5148 17.3464 17.3464 18.0526 18.0526 18.5276 18.5276 22.1806 22.1806 k = 0.5481-0.0278 0.5339 ( 1047 PWs) bands (ev): -65.6405 -65.6405 -32.5987 -32.5987 -32.3174 -32.3174 -32.3046 -32.3046 -8.5934 -8.5934 3.9092 3.9092 4.4277 4.4277 5.4793 5.4793 17.4226 17.4226 18.0733 18.0733 18.4935 18.4935 22.0761 22.0761 k = 0.5433-0.0250 0.5417 ( 1047 PWs) bands (ev): -65.6405 -65.6405 -32.5988 -32.5988 -32.3172 -32.3172 -32.3049 -32.3049 -8.5916 -8.5916 3.9338 3.9338 4.4202 4.4202 5.4454 5.4454 17.4988 17.4988 18.0948 18.0948 18.4577 18.4577 21.9778 21.9778 k = 0.5385-0.0222 0.5496 ( 1042 PWs) bands (ev): -65.6405 -65.6405 -32.5988 -32.5988 -32.3171 -32.3171 -32.3051 -32.3051 -8.5899 -8.5899 3.9598 3.9598 4.4102 4.4102 5.4136 5.4136 17.5742 17.5742 18.1169 18.1169 18.4202 18.4202 21.8867 21.8867 k = 0.5337-0.0194 0.5574 ( 1042 PWs) bands (ev): -65.6405 -65.6405 -32.5988 -32.5988 -32.3169 -32.3169 -32.3053 -32.3053 -8.5883 -8.5883 3.9872 3.9872 4.3972 4.3972 5.3847 5.3847 17.6478 17.6478 18.1391 18.1391 18.3812 18.3812 21.8029 21.8029 k = 0.5288-0.0167 0.5653 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5988 -32.5988 -32.3168 -32.3168 -32.3055 -32.3055 -8.5868 -8.5868 4.0158 4.0158 4.3809 4.3809 5.3590 5.3590 17.7191 17.7191 18.1609 18.1609 18.3409 18.3409 21.7276 21.7276 k = 0.5240-0.0139 0.5731 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5988 -32.5988 -32.3167 -32.3167 -32.3057 -32.3057 -8.5854 -8.5854 4.0458 4.0458 4.3613 4.3613 5.3370 5.3370 17.7874 17.7874 18.1816 18.1816 18.2992 18.2992 21.6618 21.6618 k = 0.5192-0.0111 0.5810 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5988 -32.5988 -32.3166 -32.3166 -32.3059 -32.3059 -8.5842 -8.5842 4.0769 4.0769 4.3382 4.3382 5.3191 5.3191 17.8524 17.8524 18.2003 18.2003 18.2566 18.2566 21.6064 21.6064 k = 0.5144-0.0083 0.5888 ( 1042 PWs) bands (ev): -65.6404 -65.6404 -32.5988 -32.5988 -32.3165 -32.3165 -32.3060 -32.3060 -8.5832 -8.5832 4.1093 4.1093 4.3116 4.3116 5.3052 5.3052 17.9137 17.9137 18.2085 18.2085 18.2203 18.2203 21.5622 21.5622 k = 0.5096-0.0056 0.5967 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3165 -32.3165 -32.3061 -32.3061 -8.5825 -8.5825 4.1428 4.1428 4.2818 4.2818 5.2955 5.2955 17.9713 17.9713 18.1666 18.1666 18.2294 18.2294 21.5300 21.5300 k = 0.5048-0.0028 0.6045 ( 1048 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3164 -32.3164 -32.3062 -32.3062 -8.5820 -8.5820 4.1774 4.1774 4.2492 4.2492 5.2898 5.2898 18.0249 18.0249 18.1211 18.1211 18.2365 18.2365 21.5102 21.5102 k = 0.5000 0.0000 0.6124 ( 1048 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3164 -32.3164 -32.3062 -32.3062 -8.5819 -8.5819 4.2088 4.2088 4.2183 4.2183 5.2880 5.2880 18.0704 18.0704 18.0784 18.0784 18.2388 18.2388 21.5037 21.5037 k = 0.5000 0.0000 0.6124 ( 1048 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3164 -32.3164 -32.3062 -32.3062 -8.5819 -8.5819 4.2088 4.2088 4.2183 4.2183 5.2880 5.2880 18.0704 18.0704 18.0784 18.0784 18.2388 18.2388 21.5037 21.5037 k = 0.5000 0.0056 0.6045 ( 1048 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3164 -32.3164 -32.3062 -32.3062 -8.5821 -8.5821 4.2074 4.2074 4.2180 4.2180 5.2909 5.2909 18.0672 18.0672 18.0769 18.0769 18.2413 18.2413 21.5088 21.5088 k = 0.5000 0.0111 0.5967 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3164 -32.3164 -32.3061 -32.3061 -8.5829 -8.5829 4.1994 4.1994 4.2210 4.2210 5.2994 5.2994 18.0537 18.0537 18.0764 18.0764 18.2487 18.2487 21.5239 21.5239 k = 0.5000 0.0167 0.5888 ( 1046 PWs) bands (ev): -65.6404 -65.6404 -32.5988 -32.5988 -32.3165 -32.3165 -32.3060 -32.3060 -8.5841 -8.5841 4.1841 4.1841 4.2284 4.2284 5.3131 5.3131 18.0295 18.0295 18.0777 18.0777 18.2610 18.2610 21.5488 21.5488 k = 0.5000 0.0222 0.5810 ( 1044 PWs) bands (ev): -65.6405 -65.6405 -32.5988 -32.5988 -32.3165 -32.3165 -32.3058 -32.3058 -8.5858 -8.5858 4.1628 4.1628 4.2392 4.2392 5.3316 5.3316 17.9958 17.9958 18.0802 18.0802 18.2779 18.2779 21.5829 21.5829 k = 0.5000 0.0278 0.5731 ( 1044 PWs) bands (ev): -65.6405 -65.6405 -32.5987 -32.5987 -32.3166 -32.3166 -32.3056 -32.3056 -8.5879 -8.5879 4.1364 4.1364 4.2532 4.2532 5.3542 5.3542 17.9534 17.9534 18.0838 18.0838 18.2993 18.2993 21.6257 21.6257 k = 0.5000 0.0333 0.5653 ( 1042 PWs) bands (ev): -65.6405 -65.6405 -32.5987 -32.5987 -32.3167 -32.3167 -32.3053 -32.3053 -8.5905 -8.5905 4.1055 4.1055 4.2704 4.2704 5.3804 5.3804 17.9029 17.9029 18.0887 18.0887 18.3251 18.3251 21.6764 21.6764 k = 0.5000 0.0389 0.5574 ( 1044 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3168 -32.3168 -32.3051 -32.3051 -8.5936 -8.5936 4.0710 4.0710 4.2906 4.2906 5.4095 5.4095 17.8450 17.8450 18.0948 18.0948 18.3550 18.3550 21.7339 21.7339 k = 0.5000 0.0444 0.5496 ( 1044 PWs) bands (ev): -65.6405 -65.6405 -32.5985 -32.5985 -32.3170 -32.3170 -32.3047 -32.3047 -8.5971 -8.5971 4.0332 4.0332 4.3139 4.3139 5.4408 5.4408 17.7805 17.7805 18.1023 18.1023 18.3891 18.3891 21.7976 21.7976 k = 0.5000 0.0500 0.5417 ( 1046 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3171 -32.3171 -32.3044 -32.3044 -8.6011 -8.6011 3.9930 3.9930 4.3401 4.3401 5.4739 5.4739 17.7101 17.7101 18.1111 18.1111 18.4273 18.4273 21.8665 21.8665 k = 0.5000 0.0555 0.5339 ( 1048 PWs) bands (ev): -65.6406 -65.6406 -32.5984 -32.5984 -32.3173 -32.3173 -32.3040 -32.3040 -8.6054 -8.6054 3.9506 3.9506 4.3693 4.3693 5.5083 5.5083 17.6344 17.6344 18.1212 18.1212 18.4696 18.4696 21.9396 21.9396 k = 0.5000 0.0611 0.5260 ( 1046 PWs) bands (ev): -65.6406 -65.6406 -32.5983 -32.5983 -32.3174 -32.3174 -32.3035 -32.3035 -8.6101 -8.6101 3.9066 3.9066 4.4013 4.4013 5.5436 5.5436 17.5541 17.5541 18.1326 18.1326 18.5159 18.5159 22.0162 22.0162 k = 0.5000 0.0666 0.5182 ( 1046 PWs) bands (ev): -65.6407 -65.6407 -32.5982 -32.5982 -32.3175 -32.3175 -32.3031 -32.3031 -8.6152 -8.6152 3.8613 3.8613 4.4360 4.4360 5.5794 5.5794 17.4698 17.4698 18.1451 18.1451 18.5663 18.5663 22.0954 22.0954 k = 0.5000 0.0722 0.5103 ( 1048 PWs) bands (ev): -65.6407 -65.6407 -32.5981 -32.5981 -32.3177 -32.3177 -32.3026 -32.3026 -8.6207 -8.6207 3.8151 3.8151 4.4734 4.4734 5.6155 5.6155 17.3820 17.3820 18.1588 18.1588 18.6208 18.6208 22.1759 22.1759 k = 0.5000 0.0777 0.5025 ( 1046 PWs) bands (ev): -65.6408 -65.6408 -32.5979 -32.5979 -32.3178 -32.3178 -32.3021 -32.3021 -8.6265 -8.6265 3.7681 3.7681 4.5135 4.5135 5.6516 5.6516 17.2911 17.2911 18.1735 18.1735 18.6793 18.6793 22.2575 22.2575 k = 0.5000 0.0833 0.4946 ( 1048 PWs) bands (ev): -65.6408 -65.6408 -32.5978 -32.5978 -32.3180 -32.3180 -32.3016 -32.3016 -8.6325 -8.6325 3.7207 3.7207 4.5560 4.5560 5.6875 5.6875 17.1976 17.1976 18.1891 18.1891 18.7420 18.7420 22.3388 22.3388 k = 0.5000 0.0888 0.4868 ( 1048 PWs) bands (ev): -65.6408 -65.6408 -32.5977 -32.5977 -32.3181 -32.3181 -32.3011 -32.3011 -8.6389 -8.6389 3.6730 3.6730 4.6010 4.6010 5.7230 5.7230 17.1018 17.1018 18.2056 18.2056 18.8087 18.8087 22.4191 22.4191 k = 0.5000 0.0944 0.4789 ( 1044 PWs) bands (ev): -65.6409 -65.6409 -32.5975 -32.5975 -32.3182 -32.3182 -32.3005 -32.3005 -8.6455 -8.6455 3.6254 3.6254 4.6484 4.6484 5.7580 5.7580 17.0043 17.0043 18.2228 18.2228 18.8796 18.8796 22.4975 22.4975 k = 0.5000 0.0999 0.4711 ( 1048 PWs) bands (ev): -65.6409 -65.6409 -32.5974 -32.5974 -32.3184 -32.3184 -32.3000 -32.3000 -8.6523 -8.6523 3.5778 3.5778 4.6979 4.6979 5.7923 5.7923 16.9051 16.9051 18.2406 18.2406 18.9546 18.9546 22.5726 22.5726 k = 0.5000 0.1055 0.4632 ( 1048 PWs) bands (ev): -65.6410 -65.6410 -32.5973 -32.5973 -32.3185 -32.3185 -32.2994 -32.2994 -8.6593 -8.6593 3.5305 3.5305 4.7496 4.7496 5.8259 5.8259 16.8046 16.8046 18.2590 18.2590 19.0336 19.0336 22.6442 22.6442 k = 0.5000 0.1110 0.4554 ( 1046 PWs) bands (ev): -65.6411 -65.6411 -32.5971 -32.5971 -32.3186 -32.3186 -32.2988 -32.2988 -8.6665 -8.6665 3.4837 3.4837 4.8032 4.8032 5.8586 5.8586 16.7032 16.7032 18.2778 18.2778 19.1168 19.1168 22.7111 22.7111 k = 0.5000 0.1166 0.4475 ( 1046 PWs) bands (ev): -65.6411 -65.6411 -32.5970 -32.5970 -32.3187 -32.3187 -32.2982 -32.2982 -8.6739 -8.6739 3.4373 3.4373 4.8586 4.8586 5.8904 5.8904 16.6009 16.6009 18.2970 18.2970 19.2040 19.2040 22.7723 22.7723 k = 0.5000 0.1221 0.4397 ( 1048 PWs) bands (ev): -65.6412 -65.6412 -32.5968 -32.5968 -32.3189 -32.3189 -32.2976 -32.2976 -8.6813 -8.6813 3.3916 3.3916 4.9157 4.9157 5.9212 5.9212 16.4981 16.4981 18.3164 18.3164 19.2951 19.2951 22.8271 22.8271 k = 0.5000 0.1277 0.4318 ( 1044 PWs) bands (ev): -65.6412 -65.6412 -32.5967 -32.5967 -32.3190 -32.3190 -32.2970 -32.2970 -8.6888 -8.6888 3.3466 3.3466 4.9744 4.9744 5.9510 5.9510 16.3951 16.3951 18.3361 18.3361 19.3902 19.3902 22.8750 22.8750 k = 0.5000 0.1332 0.4240 ( 1046 PWs) bands (ev): -65.6413 -65.6413 -32.5965 -32.5965 -32.3191 -32.3191 -32.2964 -32.2964 -8.6965 -8.6965 3.3025 3.3025 5.0344 5.0344 5.9797 5.9797 16.2920 16.2920 18.3558 18.3558 19.4892 19.4892 22.9151 22.9151 k = 0.5000 0.1388 0.4161 ( 1042 PWs) bands (ev): -65.6413 -65.6413 -32.5964 -32.5964 -32.3192 -32.3192 -32.2957 -32.2957 -8.7041 -8.7041 3.2592 3.2592 5.0957 5.0957 6.0073 6.0073 16.1891 16.1891 18.3755 18.3755 19.5920 19.5920 22.9473 22.9473 k = 0.5000 0.1443 0.4082 ( 1042 PWs) bands (ev): -65.6414 -65.6414 -32.5962 -32.5962 -32.3193 -32.3193 -32.2951 -32.2951 -8.7117 -8.7117 3.2170 3.2170 5.1580 5.1580 6.0338 6.0338 16.0865 16.0865 18.3951 18.3951 19.6986 19.6986 22.9712 22.9712 k = 0.5000 0.1499 0.4004 ( 1042 PWs) bands (ev): -65.6415 -65.6415 -32.5961 -32.5961 -32.3194 -32.3194 -32.2945 -32.2945 -8.7193 -8.7193 3.1758 3.1758 5.2211 5.2211 6.0591 6.0591 15.9844 15.9844 18.4146 18.4146 19.8087 19.8087 22.9870 22.9870 k = 0.5000 0.1554 0.3925 ( 1044 PWs) bands (ev): -65.6415 -65.6415 -32.5960 -32.5960 -32.3195 -32.3195 -32.2939 -32.2939 -8.7269 -8.7269 3.1358 3.1358 5.2848 5.2848 6.0833 6.0833 15.8832 15.8832 18.4338 18.4338 19.9223 19.9223 22.9949 22.9949 k = 0.5000 0.1610 0.3847 ( 1044 PWs) bands (ev): -65.6416 -65.6416 -32.5958 -32.5958 -32.3196 -32.3196 -32.2933 -32.2933 -8.7344 -8.7344 3.0969 3.0969 5.3489 5.3489 6.1063 6.1063 15.7830 15.7830 18.4528 18.4528 20.0393 20.0393 22.9955 22.9955 k = 0.5000 0.1665 0.3768 ( 1042 PWs) bands (ev): -65.6416 -65.6416 -32.5957 -32.5957 -32.3196 -32.3196 -32.2927 -32.2927 -8.7417 -8.7417 3.0594 3.0594 5.4133 5.4133 6.1282 6.1282 15.6842 15.6842 18.4714 18.4714 20.1595 20.1595 22.9894 22.9894 k = 0.5000 0.1721 0.3690 ( 1040 PWs) bands (ev): -65.6417 -65.6417 -32.5956 -32.5956 -32.3197 -32.3197 -32.2921 -32.2921 -8.7490 -8.7490 3.0231 3.0231 5.4777 5.4777 6.1490 6.1490 15.5867 15.5867 18.4895 18.4895 20.2827 20.2827 22.9776 22.9776 k = 0.5000 0.1776 0.3611 ( 1040 PWs) bands (ev): -65.6417 -65.6417 -32.5954 -32.5954 -32.3198 -32.3198 -32.2915 -32.2915 -8.7560 -8.7560 2.9883 2.9883 5.5418 5.5418 6.1686 6.1686 15.4910 15.4910 18.5072 18.5072 20.4086 20.4086 22.9604 22.9604 k = 0.5000 0.1832 0.3533 ( 1042 PWs) bands (ev): -65.6418 -65.6418 -32.5953 -32.5953 -32.3199 -32.3199 -32.2910 -32.2910 -8.7629 -8.7629 2.9547 2.9547 5.6055 5.6055 6.1871 6.1871 15.3971 15.3971 18.5242 18.5242 20.5372 20.5372 22.9390 22.9390 k = 0.5000 0.1887 0.3454 ( 1042 PWs) bands (ev): -65.6418 -65.6418 -32.5952 -32.5952 -32.3200 -32.3200 -32.2904 -32.2904 -8.7696 -8.7696 2.9227 2.9227 5.6683 5.6683 6.2045 6.2045 15.3057 15.3057 18.5407 18.5407 20.6678 20.6678 22.9141 22.9141 k = 0.5000 0.1943 0.3376 ( 1042 PWs) bands (ev): -65.6419 -65.6419 -32.5951 -32.5951 -32.3200 -32.3200 -32.2899 -32.2899 -8.7761 -8.7761 2.8922 2.8922 5.7301 5.7301 6.2207 6.2207 15.2168 15.2168 18.5566 18.5566 20.8003 20.8003 22.8867 22.8867 k = 0.5000 0.1999 0.3297 ( 1040 PWs) bands (ev): -65.6419 -65.6419 -32.5950 -32.5950 -32.3201 -32.3201 -32.2894 -32.2894 -8.7823 -8.7823 2.8633 2.8633 5.7905 5.7905 6.2360 6.2360 15.1308 15.1308 18.5717 18.5717 20.9344 20.9344 22.8575 22.8575 k = 0.5000 0.2054 0.3219 ( 1040 PWs) bands (ev): -65.6420 -65.6420 -32.5949 -32.5949 -32.3201 -32.3201 -32.2889 -32.2889 -8.7883 -8.7883 2.8359 2.8359 5.8494 5.8494 6.2502 6.2502 15.0478 15.0478 18.5862 18.5862 21.0694 21.0694 22.8272 22.8272 k = 0.5000 0.2110 0.3140 ( 1040 PWs) bands (ev): -65.6420 -65.6420 -32.5948 -32.5948 -32.3202 -32.3202 -32.2884 -32.2884 -8.7939 -8.7939 2.8102 2.8102 5.9064 5.9064 6.2633 6.2633 14.9683 14.9683 18.5998 18.5998 21.2049 21.2049 22.7963 22.7963 k = 0.5000 0.2165 0.3062 ( 1040 PWs) bands (ev): -65.6421 -65.6421 -32.5947 -32.5947 -32.3202 -32.3202 -32.2880 -32.2880 -8.7993 -8.7993 2.7860 2.7860 5.9611 5.9611 6.2755 6.2755 14.8924 14.8924 18.6127 18.6127 21.3403 21.3403 22.7656 22.7656 k = 0.5000 0.2221 0.2983 ( 1046 PWs) bands (ev): -65.6421 -65.6421 -32.5947 -32.5947 -32.3203 -32.3203 -32.2876 -32.2876 -8.8043 -8.8043 2.7636 2.7636 6.0133 6.0133 6.2866 6.2866 14.8206 14.8206 18.6246 18.6246 21.4744 21.4744 22.7353 22.7353 k = 0.5000 0.2276 0.2905 ( 1044 PWs) bands (ev): -65.6422 -65.6422 -32.5946 -32.5946 -32.3203 -32.3203 -32.2872 -32.2872 -8.8090 -8.8090 2.7428 2.7428 6.0627 6.0627 6.2968 6.2968 14.7531 14.7531 18.6358 18.6358 21.6072 21.6072 22.7062 22.7062 k = 0.5000 0.2332 0.2826 ( 1048 PWs) bands (ev): -65.6422 -65.6422 -32.5946 -32.5946 -32.3204 -32.3204 -32.2869 -32.2869 -8.8133 -8.8133 2.7238 2.7238 6.1091 6.1091 6.3061 6.3061 14.6900 14.6900 18.6460 18.6460 21.7371 21.7371 22.6786 22.6786 k = 0.5000 0.2387 0.2748 ( 1048 PWs) bands (ev): -65.6422 -65.6422 -32.5945 -32.5945 -32.3204 -32.3204 -32.2865 -32.2865 -8.8173 -8.8173 2.7065 2.7065 6.1520 6.1520 6.3145 6.3145 14.6321 14.6321 18.6553 18.6553 21.8631 21.8631 22.6526 22.6526 k = 0.5000 0.2443 0.2669 ( 1048 PWs) bands (ev): -65.6423 -65.6423 -32.5944 -32.5944 -32.3205 -32.3205 -32.2863 -32.2863 -8.8209 -8.8209 2.6910 2.6910 6.1912 6.1912 6.3220 6.3220 14.5793 14.5793 18.6638 18.6638 21.9837 21.9837 22.6288 22.6288 k = 0.5000 0.2498 0.2591 ( 1046 PWs) bands (ev): -65.6423 -65.6423 -32.5944 -32.5944 -32.3205 -32.3205 -32.2860 -32.2860 -8.8241 -8.8241 2.6773 2.6773 6.2264 6.2264 6.3287 6.3287 14.5320 14.5320 18.6712 18.6712 22.0975 22.0975 22.6074 22.6074 k = 0.5000 0.2554 0.2512 ( 1050 PWs) bands (ev): -65.6423 -65.6423 -32.5944 -32.5944 -32.3205 -32.3205 -32.2858 -32.2858 -8.8269 -8.8269 2.6654 2.6654 6.2573 6.2573 6.3346 6.3346 14.4905 14.4905 18.6777 18.6777 22.2022 22.2022 22.5882 22.5882 k = 0.5000 0.2609 0.2434 ( 1054 PWs) bands (ev): -65.6423 -65.6423 -32.5943 -32.5943 -32.3206 -32.3206 -32.2856 -32.2856 -8.8292 -8.8292 2.6552 2.6552 6.2835 6.2835 6.3398 6.3398 14.4549 14.4549 18.6832 18.6832 22.2961 22.2961 22.5716 22.5716 k = 0.5000 0.2665 0.2355 ( 1052 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2854 -32.2854 -8.8312 -8.8312 2.6470 2.6470 6.3049 6.3049 6.3446 6.3446 14.4255 14.4255 18.6877 18.6877 22.3772 22.3772 22.5582 22.5582 k = 0.5000 0.2720 0.2277 ( 1054 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2853 -32.2853 -8.8327 -8.8327 2.6405 2.6405 6.3206 6.3206 6.3493 6.3493 14.4024 14.4024 18.6912 18.6912 22.4425 22.4425 22.5481 22.5481 k = 0.5000 0.2776 0.2198 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2852 -32.2852 -8.8338 -8.8338 2.6359 2.6359 6.3307 6.3307 6.3539 6.3539 14.3858 14.3858 18.6937 18.6937 22.4895 22.4895 22.5420 22.5420 k = 0.5000 0.2831 0.2120 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2852 -32.2852 -8.8344 -8.8344 2.6331 2.6331 6.3359 6.3359 6.3576 6.3576 14.3758 14.3758 18.6953 18.6953 22.5149 22.5149 22.5421 22.5421 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2852 -32.2852 -8.8347 -8.8347 2.6322 2.6322 6.3374 6.3374 6.3590 6.3590 14.3725 14.3725 18.6958 18.6958 22.5205 22.5205 22.5451 22.5451 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2852 -32.2852 -8.8347 -8.8347 2.6322 2.6322 6.3374 6.3374 6.3590 6.3590 14.3725 14.3725 18.6958 18.6958 22.5205 22.5205 22.5451 22.5451 k = 0.4972 0.2871 0.2132 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2852 -32.2852 -8.8344 -8.8344 2.6331 2.6331 6.3359 6.3359 6.3576 6.3576 14.3758 14.3758 18.6953 18.6953 22.5149 22.5149 22.5421 22.5421 k = 0.4944 0.2855 0.2223 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2852 -32.2852 -8.8338 -8.8338 2.6359 2.6359 6.3307 6.3307 6.3539 6.3539 14.3858 14.3858 18.6937 18.6937 22.4895 22.4895 22.5420 22.5420 k = 0.4917 0.2839 0.2313 ( 1056 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2853 -32.2853 -8.8327 -8.8327 2.6405 2.6405 6.3206 6.3206 6.3493 6.3493 14.4024 14.4024 18.6912 18.6912 22.4421 22.4421 22.5482 22.5482 k = 0.4889 0.2823 0.2404 ( 1050 PWs) bands (ev): -65.6424 -65.6424 -32.5943 -32.5943 -32.3206 -32.3206 -32.2854 -32.2854 -8.8312 -8.8312 2.6470 2.6470 6.3048 6.3048 6.3447 6.3447 14.4255 14.4255 18.6877 18.6877 22.3769 22.3769 22.5585 22.5585 k = 0.4861 0.2807 0.2495 ( 1050 PWs) bands (ev): -65.6423 -65.6423 -32.5943 -32.5943 -32.3205 -32.3205 -32.2856 -32.2856 -8.8292 -8.8292 2.6553 2.6553 6.2834 6.2834 6.3400 6.3400 14.4550 14.4550 18.6832 18.6832 22.2957 22.2957 22.5721 22.5721 k = 0.4833 0.2791 0.2586 ( 1052 PWs) bands (ev): -65.6423 -65.6423 -32.5944 -32.5944 -32.3205 -32.3205 -32.2858 -32.2858 -8.8269 -8.8269 2.6654 2.6654 6.2569 6.2569 6.3348 6.3348 14.4906 14.4906 18.6776 18.6776 22.2013 22.2013 22.5887 22.5887 k = 0.4806 0.2774 0.2676 ( 1052 PWs) bands (ev): -65.6423 -65.6423 -32.5944 -32.5944 -32.3205 -32.3205 -32.2860 -32.2860 -8.8241 -8.8241 2.6773 2.6773 6.2257 6.2257 6.3291 6.3291 14.5322 14.5322 18.6711 18.6711 22.0960 22.0960 22.6083 22.6083 k = 0.4778 0.2758 0.2767 ( 1050 PWs) bands (ev): -65.6423 -65.6423 -32.5944 -32.5944 -32.3205 -32.3205 -32.2863 -32.2863 -8.8209 -8.8209 2.6911 2.6911 6.1901 6.1901 6.3228 6.3228 14.5795 14.5795 18.6637 18.6637 21.9817 21.9817 22.6308 22.6308 k = 0.4750 0.2742 0.2858 ( 1048 PWs) bands (ev): -65.6422 -65.6422 -32.5945 -32.5945 -32.3204 -32.3204 -32.2866 -32.2866 -8.8173 -8.8173 2.7066 2.7066 6.1504 6.1504 6.3158 6.3158 14.6323 14.6323 18.6553 18.6553 21.8604 21.8604 22.6560 22.6560 k = 0.4722 0.2726 0.2948 ( 1048 PWs) bands (ev): -65.6422 -65.6422 -32.5945 -32.5945 -32.3204 -32.3204 -32.2869 -32.2869 -8.8133 -8.8133 2.7239 2.7239 6.1068 6.1068 6.3081 6.3081 14.6902 14.6902 18.6460 18.6460 21.7335 21.7335 22.6839 22.6839 k = 0.4694 0.2710 0.3039 ( 1046 PWs) bands (ev): -65.6422 -65.6422 -32.5946 -32.5946 -32.3203 -32.3203 -32.2872 -32.2872 -8.8090 -8.8090 2.7430 2.7430 6.0596 6.0596 6.2998 6.2998 14.7529 14.7529 18.6357 18.6357 21.6026 21.6026 22.7142 22.7142 k = 0.4667 0.2694 0.3130 ( 1040 PWs) bands (ev): -65.6421 -65.6421 -32.5946 -32.5946 -32.3202 -32.3202 -32.2876 -32.2876 -8.8043 -8.8043 2.7638 2.7638 6.0089 6.0089 6.2909 6.2909 14.8204 14.8204 18.6246 18.6246 21.4688 21.4688 22.7470 22.7470 k = 0.4639 0.2678 0.3221 ( 1041 PWs) bands (ev): -65.6421 -65.6421 -32.5947 -32.5947 -32.3202 -32.3202 -32.2880 -32.2880 -8.7993 -8.7993 2.7863 2.7863 5.9552 5.9552 6.2813 6.2813 14.8917 14.8917 18.6125 18.6125 21.3328 21.3328 22.7821 22.7821 k = 0.4611 0.2662 0.3311 ( 1043 PWs) bands (ev): -65.6420 -65.6420 -32.5948 -32.5948 -32.3202 -32.3202 -32.2885 -32.2885 -8.7939 -8.7939 2.8104 2.8104 5.8987 5.8987 6.2711 6.2711 14.9669 14.9669 18.5997 18.5997 21.1958 21.1958 22.8192 22.8192 k = 0.4583 0.2646 0.3402 ( 1045 PWs) bands (ev): -65.6420 -65.6420 -32.5949 -32.5949 -32.3201 -32.3201 -32.2890 -32.2890 -8.7882 -8.7882 2.8362 2.8362 5.8396 5.8396 6.2604 6.2604 15.0454 15.0454 18.5860 18.5860 21.0585 21.0585 22.8582 22.8582 k = 0.4556 0.2630 0.3493 ( 1045 PWs) bands (ev): -65.6419 -65.6419 -32.5950 -32.5950 -32.3201 -32.3201 -32.2894 -32.2894 -8.7823 -8.7823 2.8636 2.8636 5.7783 5.7783 6.2492 6.2492 15.1269 15.1269 18.5716 18.5716 20.9217 20.9217 22.8991 22.8991 k = 0.4528 0.2614 0.3584 ( 1043 PWs) bands (ev): -65.6419 -65.6419 -32.5951 -32.5951 -32.3200 -32.3200 -32.2899 -32.2899 -8.7761 -8.7761 2.8926 2.8926 5.7150 5.7150 6.2375 6.2375 15.2110 15.2110 18.5565 18.5565 20.7857 20.7857 22.9418 22.9418 k = 0.4500 0.2598 0.3674 ( 1041 PWs) bands (ev): -65.6418 -65.6418 -32.5952 -32.5952 -32.3199 -32.3199 -32.2904 -32.2904 -8.7696 -8.7696 2.9231 2.9231 5.6500 5.6500 6.2253 6.2253 15.2972 15.2972 18.5407 18.5407 20.6512 20.6512 22.9858 22.9858 k = 0.4472 0.2582 0.3765 ( 1043 PWs) bands (ev): -65.6418 -65.6418 -32.5953 -32.5953 -32.3199 -32.3199 -32.2910 -32.2910 -8.7630 -8.7630 2.9550 2.9550 5.5834 5.5834 6.2128 6.2128 15.3852 15.3852 18.5243 18.5243 20.5185 20.5185 23.0310 23.0310 k = 0.4444 0.2566 0.3856 ( 1047 PWs) bands (ev): -65.6417 -65.6417 -32.5955 -32.5955 -32.3199 -32.3199 -32.2915 -32.2915 -8.7561 -8.7561 2.9885 2.9885 5.5157 5.5157 6.1998 6.1998 15.4744 15.4744 18.5074 18.5074 20.3878 20.3878 23.0773 23.0773 k = 0.4417 0.2550 0.3946 ( 1043 PWs) bands (ev): -65.6417 -65.6417 -32.5956 -32.5956 -32.3198 -32.3198 -32.2921 -32.2921 -8.7491 -8.7491 3.0233 3.0233 5.4470 5.4470 6.1867 6.1867 15.5644 15.5644 18.4900 18.4900 20.2600 20.2600 23.1247 23.1247 k = 0.4389 0.2534 0.4037 ( 1045 PWs) bands (ev): -65.6416 -65.6416 -32.5957 -32.5957 -32.3197 -32.3197 -32.2926 -32.2926 -8.7419 -8.7419 3.0595 3.0595 5.3776 5.3776 6.1732 6.1732 15.6547 15.6547 18.4722 18.4722 20.1349 20.1349 23.1725 23.1725 k = 0.4361 0.2518 0.4128 ( 1045 PWs) bands (ev): -65.6416 -65.6416 -32.5959 -32.5959 -32.3197 -32.3197 -32.2932 -32.2932 -8.7346 -8.7346 3.0969 3.0969 5.3077 5.3077 6.1594 6.1594 15.7448 15.7448 18.4541 18.4541 20.0129 20.0129 23.2208 23.2208 k = 0.4333 0.2502 0.4219 ( 1047 PWs) bands (ev): -65.6415 -65.6415 -32.5960 -32.5960 -32.3196 -32.3196 -32.2938 -32.2938 -8.7272 -8.7272 3.1356 3.1356 5.2375 5.2375 6.1454 6.1454 15.8341 15.8341 18.4358 18.4358 19.8944 19.8944 23.2693 23.2693 k = 0.4306 0.2486 0.4309 ( 1049 PWs) bands (ev): -65.6415 -65.6415 -32.5962 -32.5962 -32.3195 -32.3195 -32.2944 -32.2944 -8.7198 -8.7198 3.1754 3.1754 5.1674 5.1674 6.1313 6.1313 15.9222 15.9222 18.4175 18.4175 19.7797 19.7797 23.3177 23.3177 k = 0.4278 0.2470 0.4400 ( 1049 PWs) bands (ev): -65.6414 -65.6414 -32.5963 -32.5963 -32.3195 -32.3195 -32.2950 -32.2950 -8.7123 -8.7123 3.2162 3.2162 5.0975 5.0975 6.1171 6.1171 16.0085 16.0085 18.3992 18.3992 19.6689 19.6689 23.3662 23.3662 k = 0.4250 0.2454 0.4491 ( 1050 PWs) bands (ev): -65.6413 -65.6413 -32.5964 -32.5964 -32.3194 -32.3194 -32.2956 -32.2956 -8.7049 -8.7049 3.2580 3.2580 5.0280 5.0280 6.1028 6.1028 16.0922 16.0922 18.3811 18.3811 19.5623 19.5623 23.4140 23.4140 k = 0.4222 0.2438 0.4581 ( 1048 PWs) bands (ev): -65.6413 -65.6413 -32.5966 -32.5966 -32.3193 -32.3193 -32.2961 -32.2961 -8.6975 -8.6975 3.3005 3.3005 4.9594 4.9594 6.0885 6.0885 16.1728 16.1728 18.3633 18.3633 19.4604 19.4604 23.4617 23.4617 k = 0.4194 0.2422 0.4672 ( 1048 PWs) bands (ev): -65.6412 -65.6412 -32.5967 -32.5967 -32.3193 -32.3193 -32.2966 -32.2966 -8.6901 -8.6901 3.3438 3.3438 4.8917 4.8917 6.0743 6.0743 16.2496 16.2496 18.3459 18.3459 19.3632 19.3632 23.5087 23.5087 k = 0.4167 0.2406 0.4763 ( 1040 PWs) bands (ev): -65.6412 -65.6412 -32.5968 -32.5968 -32.3191 -32.3191 -32.2971 -32.2971 -8.6829 -8.6829 3.3876 3.3876 4.8253 4.8253 6.0601 6.0601 16.3221 16.3221 18.3289 18.3289 19.2712 19.2712 23.5555 23.5555 k = 0.4139 0.2390 0.4854 ( 1044 PWs) bands (ev): -65.6411 -65.6411 -32.5970 -32.5970 -32.3191 -32.3191 -32.2977 -32.2977 -8.6758 -8.6758 3.4315 3.4315 4.7604 4.7604 6.0460 6.0460 16.3892 16.3892 18.3124 18.3124 19.1846 19.1846 23.6006 23.6006 k = 0.4111 0.2374 0.4944 ( 1044 PWs) bands (ev): -65.6411 -65.6411 -32.5971 -32.5971 -32.3191 -32.3191 -32.2982 -32.2982 -8.6689 -8.6689 3.4756 3.4756 4.6975 4.6975 6.0321 6.0321 16.4508 16.4508 18.2962 18.2962 19.1042 19.1042 23.6446 23.6446 k = 0.4083 0.2358 0.5035 ( 1044 PWs) bands (ev): -65.6410 -65.6410 -32.5973 -32.5973 -32.3190 -32.3190 -32.2986 -32.2986 -8.6623 -8.6623 3.5193 3.5193 4.6370 4.6370 6.0184 6.0184 16.5061 16.5061 18.2800 18.2800 19.0304 19.0304 23.6875 23.6875 k = 0.4056 0.2341 0.5126 ( 1040 PWs) bands (ev): -65.6410 -65.6410 -32.5974 -32.5974 -32.3189 -32.3189 -32.2991 -32.2991 -8.6558 -8.6558 3.5622 3.5622 4.5794 4.5794 6.0049 6.0049 16.5546 16.5546 18.2635 18.2635 18.9639 18.9639 23.7290 23.7290 k = 0.4028 0.2325 0.5217 ( 1042 PWs) bands (ev): -65.6409 -65.6409 -32.5975 -32.5975 -32.3189 -32.3189 -32.2995 -32.2995 -8.6497 -8.6497 3.6038 3.6038 4.5254 4.5254 5.9916 5.9916 16.5959 16.5959 18.2458 18.2458 18.9053 18.9053 23.7690 23.7690 k = 0.4000 0.2309 0.5307 ( 1042 PWs) bands (ev): -65.6409 -65.6409 -32.5977 -32.5977 -32.3189 -32.3189 -32.2999 -32.2999 -8.6439 -8.6439 3.6432 3.6432 4.4757 4.4757 5.9787 5.9787 16.6299 16.6299 18.2263 18.2263 18.8555 18.8555 23.8075 23.8075 k = 0.3972 0.2293 0.5398 ( 1042 PWs) bands (ev): -65.6408 -65.6408 -32.5978 -32.5978 -32.3189 -32.3189 -32.3003 -32.3003 -8.6385 -8.6385 3.6795 3.6795 4.4316 4.4316 5.9661 5.9661 16.6565 16.6565 18.2039 18.2039 18.8152 18.8152 23.8445 23.8445 k = 0.3944 0.2277 0.5489 ( 1042 PWs) bands (ev): -65.6408 -65.6408 -32.5979 -32.5979 -32.3189 -32.3189 -32.3006 -32.3006 -8.6334 -8.6334 3.7112 3.7112 4.3944 4.3944 5.9539 5.9539 16.6759 16.6759 18.1778 18.1778 18.7846 18.7846 23.8798 23.8798 k = 0.3917 0.2261 0.5579 ( 1043 PWs) bands (ev): -65.6407 -65.6407 -32.5980 -32.5980 -32.3189 -32.3189 -32.3009 -32.3009 -8.6289 -8.6289 3.7367 3.7367 4.3657 4.3657 5.9421 5.9421 16.6884 16.6884 18.1477 18.1477 18.7639 18.7639 23.9133 23.9133 k = 0.3889 0.2245 0.5670 ( 1043 PWs) bands (ev): -65.6407 -65.6407 -32.5981 -32.5981 -32.3189 -32.3189 -32.3012 -32.3012 -8.6247 -8.6247 3.7544 3.7544 4.3474 4.3474 5.9308 5.9308 16.6945 16.6945 18.1135 18.1135 18.7523 18.7523 23.9453 23.9453 k = 0.3861 0.2229 0.5761 ( 1043 PWs) bands (ev): -65.6407 -65.6407 -32.5982 -32.5982 -32.3189 -32.3189 -32.3014 -32.3014 -8.6211 -8.6211 3.7630 3.7630 4.3408 4.3408 5.9199 5.9199 16.6949 16.6949 18.0754 18.0754 18.7487 18.7487 23.9755 23.9755 k = 0.3833 0.2213 0.5852 ( 1041 PWs) bands (ev): -65.6406 -65.6406 -32.5983 -32.5983 -32.3189 -32.3189 -32.3016 -32.3016 -8.6181 -8.6181 3.7620 3.7620 4.3462 4.3462 5.9096 5.9096 16.6901 16.6901 18.0341 18.0341 18.7519 18.7519 24.0042 24.0042 k = 0.3806 0.2197 0.5942 ( 1039 PWs) bands (ev): -65.6406 -65.6406 -32.5984 -32.5984 -32.3189 -32.3189 -32.3017 -32.3017 -8.6156 -8.6156 3.7524 3.7524 4.3628 4.3628 5.8998 5.8998 16.6809 16.6809 17.9901 17.9901 18.7605 18.7605 24.0310 24.0310 k = 0.3778 0.2181 0.6033 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3018 -32.3018 -8.6138 -8.6138 3.7357 3.7357 4.3890 4.3890 5.8905 5.8905 16.6680 16.6680 17.9439 17.9439 18.7731 18.7731 24.0560 24.0560 k = 0.3750 0.2165 0.6124 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3019 -32.3019 -8.6126 -8.6126 3.7139 3.7139 4.4227 4.4227 5.8819 5.8819 16.6521 16.6521 17.8961 17.8961 18.7889 18.7889 24.0794 24.0794 k = 0.6250-0.0722 0.4082 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5985 -32.5985 -32.3190 -32.3190 -32.3019 -32.3019 -8.6126 -8.6126 3.7139 3.7139 4.4227 4.4227 5.8819 5.8819 16.6521 16.6521 17.8961 17.8961 18.7889 18.7889 24.0794 24.0794 k = 0.6202-0.0805 0.4082 ( 1043 PWs) bands (ev): -65.6406 -65.6406 -32.5986 -32.5986 -32.3191 -32.3191 -32.3020 -32.3020 -8.6113 -8.6113 3.6738 3.6738 4.4872 4.4872 5.8677 5.8677 16.6212 16.6212 17.8107 17.8107 18.8181 18.8181 24.1184 24.1184 k = 0.6154-0.0888 0.4082 ( 1033 PWs) bands (ev): -65.6405 -65.6405 -32.5986 -32.5986 -32.3191 -32.3191 -32.3020 -32.3020 -8.6105 -8.6105 3.6351 3.6351 4.5528 4.5528 5.8539 5.8539 16.5887 16.5887 17.7228 17.7228 18.8470 18.8470 24.1569 24.1570 k = 0.6106-0.0972 0.4082 ( 1037 PWs) bands (ev): -65.6405 -65.6405 -32.5987 -32.5987 -32.3192 -32.3192 -32.3020 -32.3020 -8.6100 -8.6100 3.5976 3.5976 4.6191 4.6191 5.8405 5.8405 16.5546 16.5546 17.6326 17.6326 18.8755 18.8755 24.1860 24.1860 k = 0.6058-0.1055 0.4082 ( 1037 PWs) bands (ev): -65.6405 -65.6405 -32.5987 -32.5987 -32.3192 -32.3192 -32.3020 -32.3020 -8.6100 -8.6100 3.5616 3.5616 4.6860 4.6860 5.8277 5.8277 16.5198 16.5198 17.5404 17.5404 18.9034 18.9034 24.1938 24.1938 k = 0.6010-0.1138 0.4082 ( 1037 PWs) bands (ev): -65.6405 -65.6405 -32.5988 -32.5988 -32.3193 -32.3193 -32.3020 -32.3020 -8.6102 -8.6102 3.5270 3.5270 4.7532 4.7532 5.8153 5.8153 16.4846 16.4846 17.4465 17.4465 18.9307 18.9307 24.2034 24.2034 k = 0.5962-0.1221 0.4082 ( 1037 PWs) bands (ev): -65.6405 -65.6405 -32.5988 -32.5988 -32.3194 -32.3194 -32.3019 -32.3019 -8.6107 -8.6107 3.4939 3.4939 4.8204 4.8204 5.8034 5.8034 16.4492 16.4492 17.3514 17.3514 18.9574 18.9574 24.2189 24.2189 k = 0.5913-0.1305 0.4082 ( 1037 PWs) bands (ev): -65.6405 -65.6405 -32.5988 -32.5988 -32.3195 -32.3195 -32.3018 -32.3018 -8.6115 -8.6115 3.4622 3.4622 4.8874 4.8874 5.7920 5.7920 16.4140 16.4140 17.2558 17.2558 18.9833 18.9833 24.2401 24.2401 k = 0.5865-0.1388 0.4082 ( 1037 PWs) bands (ev): -65.6405 -65.6405 -32.5989 -32.5989 -32.3196 -32.3196 -32.3017 -32.3017 -8.6125 -8.6125 3.4321 3.4321 4.9538 4.9538 5.7811 5.7811 16.3793 16.3793 17.1601 17.1601 19.0083 19.0083 24.2664 24.2664 k = 0.5817-0.1471 0.4082 ( 1037 PWs) bands (ev): -65.6405 -65.6405 -32.5989 -32.5989 -32.3197 -32.3197 -32.3016 -32.3016 -8.6137 -8.6137 3.4034 3.4034 5.0193 5.0193 5.7707 5.7707 16.3451 16.3451 17.0649 17.0649 19.0324 19.0324 24.2972 24.2972 k = 0.5769-0.1554 0.4082 ( 1037 PWs) bands (ev): -65.6404 -65.6404 -32.5989 -32.5989 -32.3199 -32.3199 -32.3015 -32.3015 -8.6150 -8.6150 3.3764 3.3764 5.0835 5.0835 5.7609 5.7609 16.3119 16.3119 16.9711 16.9711 19.0555 19.0555 24.3316 24.3316 k = 0.5721-0.1638 0.4082 ( 1037 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3200 -32.3200 -32.3014 -32.3014 -8.6164 -8.6164 3.3508 3.3508 5.1462 5.1462 5.7516 5.7516 16.2797 16.2797 16.8791 16.8791 19.0776 19.0776 24.3689 24.3689 k = 0.5673-0.1721 0.4082 ( 1037 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3201 -32.3201 -32.3013 -32.3013 -8.6178 -8.6178 3.3269 3.3269 5.2071 5.2071 5.7429 5.7429 16.2485 16.2485 16.7898 16.7898 19.0986 19.0986 24.4084 24.4084 k = 0.5625-0.1804 0.4082 ( 1037 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3202 -32.3202 -32.3011 -32.3011 -8.6193 -8.6193 3.3045 3.3045 5.2656 5.2656 5.7348 5.7348 16.2186 16.2186 16.7037 16.7037 19.1183 19.1183 24.4492 24.4492 k = 0.5577-0.1887 0.4082 ( 1033 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3203 -32.3203 -32.3010 -32.3010 -8.6208 -8.6208 3.2839 3.2839 5.3217 5.3217 5.7272 5.7272 16.1900 16.1900 16.6217 16.6217 19.1369 19.1369 24.4909 24.4909 k = 0.5529-0.1971 0.4082 ( 1033 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3204 -32.3204 -32.3008 -32.3008 -8.6223 -8.6223 3.2648 3.2648 5.3748 5.3748 5.7202 5.7202 16.1626 16.1626 16.5444 16.5444 19.1542 19.1542 24.5323 24.5323 k = 0.5481-0.2054 0.4082 ( 1035 PWs) bands (ev): -65.6404 -65.6404 -32.5990 -32.5990 -32.3205 -32.3205 -32.3007 -32.3007 -8.6238 -8.6238 3.2472 3.2472 5.4246 5.4246 5.7139 5.7139 16.1365 16.1365 16.4724 16.4724 19.1701 19.1701 24.5726 24.5726 k = 0.5433-0.2137 0.4082 ( 1041 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3206 -32.3206 -32.3006 -32.3006 -8.6252 -8.6252 3.2313 3.2313 5.4708 5.4708 5.7080 5.7080 16.1116 16.1116 16.4066 16.4066 19.1844 19.1844 24.6115 24.6115 k = 0.5385-0.2221 0.4082 ( 1045 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3207 -32.3207 -32.3005 -32.3005 -8.6265 -8.6265 3.2171 3.2171 5.5130 5.5130 5.7029 5.7029 16.0878 16.0878 16.3475 16.3475 19.1974 19.1974 24.6480 24.6480 k = 0.5337-0.2304 0.4082 ( 1037 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3208 -32.3208 -32.3003 -32.3003 -8.6277 -8.6277 3.2046 3.2046 5.5510 5.5510 5.6984 5.6984 16.0650 16.0650 16.2958 16.2958 19.2091 19.2091 24.6824 24.6824 k = 0.5288-0.2387 0.4082 ( 1037 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3208 -32.3208 -32.3002 -32.3002 -8.6287 -8.6287 3.1937 3.1937 5.5845 5.5845 5.6947 5.6947 16.0435 16.0435 16.2518 16.2518 19.2193 19.2193 24.7124 24.7124 k = 0.5240-0.2470 0.4082 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3209 -32.3209 -32.3001 -32.3001 -8.6296 -8.6296 3.1844 3.1844 5.6130 5.6130 5.6918 5.6918 16.0233 16.0233 16.2157 16.2157 19.2279 19.2279 24.7388 24.7388 k = 0.5192-0.2554 0.4082 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3209 -32.3209 -32.3000 -32.3000 -8.6304 -8.6304 3.1768 3.1768 5.6362 5.6362 5.6899 5.6899 16.0052 16.0052 16.1873 16.1873 19.2350 19.2350 24.7597 24.7597 k = 0.5144-0.2637 0.4082 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3210 -32.3210 -32.3000 -32.3000 -8.6310 -8.6310 3.1709 3.1709 5.6535 5.6535 5.6893 5.6893 15.9898 15.9898 16.1662 16.1662 19.2406 19.2406 24.7756 24.7756 k = 0.5096-0.2720 0.4082 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3210 -32.3210 -32.2999 -32.2999 -8.6315 -8.6315 3.1667 3.1667 5.6644 5.6644 5.6905 5.6905 15.9781 15.9781 16.1517 16.1517 19.2445 19.2445 24.7867 24.7867 k = 0.5048-0.2803 0.4082 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3210 -32.3210 -32.2999 -32.2999 -8.6318 -8.6318 3.1642 3.1642 5.6695 5.6695 5.6927 5.6927 15.9707 15.9707 16.1432 16.1432 19.2469 19.2469 24.7931 24.7931 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -65.6404 -65.6404 -32.5991 -32.5991 -32.3210 -32.3210 -32.2999 -32.2999 -8.6318 -8.6318 3.1634 3.1634 5.6708 5.6708 5.6938 5.6938 15.9682 15.9682 16.1404 16.1404 19.2477 19.2477 24.7952 24.7952 Writing output data file MgO.save init_run : 0.05s CPU 0.15s WALL ( 1 calls) electrons : 35.73s CPU 36.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 35.72s CPU 36.89s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 481 calls) cegterg : 33.00s CPU 33.92s WALL ( 511 calls) Called by sum_band: Called by *egterg: h_psi : 14.68s CPU 15.09s WALL ( 7480 calls) s_psi : 0.16s CPU 0.18s WALL ( 7480 calls) g_psi : 0.04s CPU 0.03s WALL ( 6488 calls) cdiaghg : 17.73s CPU 18.16s WALL ( 6969 calls) cegterg:over : 0.94s CPU 1.01s WALL ( 6488 calls) cegterg:upda : 0.70s CPU 0.73s WALL ( 6488 calls) cegterg:last : 0.35s CPU 0.37s WALL ( 1350 calls) cdiaghg:chol : 0.89s CPU 0.93s WALL ( 6969 calls) cdiaghg:inve : 0.30s CPU 0.34s WALL ( 6969 calls) cdiaghg:para : 1.19s CPU 1.18s WALL ( 13938 calls) Called by h_psi: h_psi:vloc : 13.95s CPU 14.40s WALL ( 7480 calls) h_psi:vnl : 0.72s CPU 0.67s WALL ( 7480 calls) add_vuspsi : 0.22s CPU 0.23s WALL ( 7480 calls) General routines calbec : 0.49s CPU 0.42s WALL ( 7480 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.86s CPU 13.39s WALL ( 387672 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.10s WALL ( 962 calls) Parallel routines fft_scatter : 6.68s CPU 7.09s WALL ( 387695 calls) PWSCF : 43.08s CPU 58.47s WALL This run was terminated on: 20:45: 0 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=