Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:19:18 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: ./W.save/ 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 21 12 4 372 167 31 Max 22 13 6 375 181 33 Sum 769 467 151 13451 6339 1157 bravais-lattice index = 14 lattice parameter (alat) = 5.2281 a.u. unit-cell volume = 110.0059 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.228125 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for W read from file: /users/gautes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential W 14.00 183.84000 W( 1.00) 4 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 467 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 2) = ( 0.0050505 -0.0035712 0.0061856), wk = 0.0021413 k( 3) = ( 0.0101010 -0.0071425 0.0123712), wk = 0.0021413 k( 4) = ( 0.0151515 -0.0107137 0.0185567), wk = 0.0021413 k( 5) = ( 0.0202020 -0.0142850 0.0247423), wk = 0.0021413 k( 6) = ( 0.0252525 -0.0178562 0.0309279), wk = 0.0021413 k( 7) = ( 0.0303030 -0.0214275 0.0371135), wk = 0.0021413 k( 8) = ( 0.0353535 -0.0249987 0.0432991), wk = 0.0021413 k( 9) = ( 0.0404040 -0.0285700 0.0494846), wk = 0.0021413 k( 10) = ( 0.0454546 -0.0321412 0.0556702), wk = 0.0021413 k( 11) = ( 0.0505051 -0.0357125 0.0618558), wk = 0.0021413 k( 12) = ( 0.0555556 -0.0392837 0.0680414), wk = 0.0021413 k( 13) = ( 0.0606061 -0.0428550 0.0742270), wk = 0.0021413 k( 14) = ( 0.0656566 -0.0464262 0.0804125), wk = 0.0021413 k( 15) = ( 0.0707071 -0.0499974 0.0865981), wk = 0.0021413 k( 16) = ( 0.0757576 -0.0535687 0.0927837), wk = 0.0021413 k( 17) = ( 0.0808081 -0.0571399 0.0989693), wk = 0.0021413 k( 18) = ( 0.0858586 -0.0607112 0.1051549), wk = 0.0021413 k( 19) = ( 0.0909091 -0.0642824 0.1113404), wk = 0.0021413 k( 20) = ( 0.0959596 -0.0678537 0.1175260), wk = 0.0021413 k( 21) = ( 0.1010101 -0.0714249 0.1237116), wk = 0.0021413 k( 22) = ( 0.1060606 -0.0749962 0.1298972), wk = 0.0021413 k( 23) = ( 0.1111111 -0.0785674 0.1360828), wk = 0.0021413 k( 24) = ( 0.1161616 -0.0821387 0.1422683), wk = 0.0021413 k( 25) = ( 0.1212121 -0.0857099 0.1484539), wk = 0.0021413 k( 26) = ( 0.1262626 -0.0892812 0.1546395), wk = 0.0021413 k( 27) = ( 0.1313131 -0.0928524 0.1608251), wk = 0.0021413 k( 28) = ( 0.1363636 -0.0964237 0.1670107), wk = 0.0021413 k( 29) = ( 0.1414141 -0.0999949 0.1731962), wk = 0.0021413 k( 30) = ( 0.1464647 -0.1035661 0.1793818), wk = 0.0021413 k( 31) = ( 0.1515151 -0.1071374 0.1855674), wk = 0.0021413 k( 32) = ( 0.1565657 -0.1107086 0.1917530), wk = 0.0021413 k( 33) = ( 0.1616162 -0.1142799 0.1979386), wk = 0.0021413 k( 34) = ( 0.1666667 -0.1178511 0.2041241), wk = 0.0021413 k( 35) = ( 0.1717172 -0.1214224 0.2103097), wk = 0.0021413 k( 36) = ( 0.1767677 -0.1249936 0.2164953), wk = 0.0021413 k( 37) = ( 0.1818182 -0.1285649 0.2226809), wk = 0.0021413 k( 38) = ( 0.1868687 -0.1321361 0.2288665), wk = 0.0021413 k( 39) = ( 0.1919192 -0.1357074 0.2350520), wk = 0.0021413 k( 40) = ( 0.1969697 -0.1392786 0.2412376), wk = 0.0021413 k( 41) = ( 0.2020202 -0.1428499 0.2474232), wk = 0.0021413 k( 42) = ( 0.2070707 -0.1464211 0.2536088), wk = 0.0021413 k( 43) = ( 0.2121212 -0.1499923 0.2597944), wk = 0.0021413 k( 44) = ( 0.2171717 -0.1535636 0.2659800), wk = 0.0021413 k( 45) = ( 0.2222222 -0.1571348 0.2721655), wk = 0.0021413 k( 46) = ( 0.2272727 -0.1607061 0.2783511), wk = 0.0021413 k( 47) = ( 0.2323232 -0.1642773 0.2845367), wk = 0.0021413 k( 48) = ( 0.2373737 -0.1678486 0.2907223), wk = 0.0021413 k( 49) = ( 0.2424242 -0.1714198 0.2969078), wk = 0.0021413 k( 50) = ( 0.2474747 -0.1749911 0.3030934), wk = 0.0021413 k( 51) = ( 0.2525252 -0.1785623 0.3092790), wk = 0.0021413 k( 52) = ( 0.2575758 -0.1821336 0.3154646), wk = 0.0021413 k( 53) = ( 0.2626263 -0.1857048 0.3216502), wk = 0.0021413 k( 54) = ( 0.2676768 -0.1892761 0.3278358), wk = 0.0021413 k( 55) = ( 0.2727273 -0.1928473 0.3340213), wk = 0.0021413 k( 56) = ( 0.2777778 -0.1964186 0.3402069), wk = 0.0021413 k( 57) = ( 0.2828283 -0.1999898 0.3463925), wk = 0.0021413 k( 58) = ( 0.2878788 -0.2035610 0.3525781), wk = 0.0021413 k( 59) = ( 0.2929293 -0.2071323 0.3587636), wk = 0.0021413 k( 60) = ( 0.2979798 -0.2107035 0.3649492), wk = 0.0021413 k( 61) = ( 0.3030303 -0.2142748 0.3711348), wk = 0.0021413 k( 62) = ( 0.3080808 -0.2178460 0.3773204), wk = 0.0021413 k( 63) = ( 0.3131313 -0.2214173 0.3835060), wk = 0.0021413 k( 64) = ( 0.3181818 -0.2249885 0.3896916), wk = 0.0021413 k( 65) = ( 0.3232323 -0.2285598 0.3958771), wk = 0.0021413 k( 66) = ( 0.3282828 -0.2321310 0.4020627), wk = 0.0021413 k( 67) = ( 0.3333333 -0.2357023 0.4082483), wk = 0.0021413 k( 68) = ( 0.3383838 -0.2392735 0.4144339), wk = 0.0021413 k( 69) = ( 0.3434343 -0.2428448 0.4206194), wk = 0.0021413 k( 70) = ( 0.3484849 -0.2464160 0.4268050), wk = 0.0021413 k( 71) = ( 0.3535354 -0.2499872 0.4329906), wk = 0.0021413 k( 72) = ( 0.3585859 -0.2535585 0.4391762), wk = 0.0021413 k( 73) = ( 0.3636364 -0.2571297 0.4453618), wk = 0.0021413 k( 74) = ( 0.3686869 -0.2607010 0.4515474), wk = 0.0021413 k( 75) = ( 0.3737374 -0.2642722 0.4577329), wk = 0.0021413 k( 76) = ( 0.3787879 -0.2678435 0.4639185), wk = 0.0021413 k( 77) = ( 0.3838384 -0.2714147 0.4701041), wk = 0.0021413 k( 78) = ( 0.3888889 -0.2749860 0.4762897), wk = 0.0021413 k( 79) = ( 0.3939394 -0.2785572 0.4824752), wk = 0.0021413 k( 80) = ( 0.3989899 -0.2821285 0.4886608), wk = 0.0021413 k( 81) = ( 0.4040404 -0.2856997 0.4948464), wk = 0.0021413 k( 82) = ( 0.4090909 -0.2892710 0.5010320), wk = 0.0021413 k( 83) = ( 0.4141414 -0.2928422 0.5072176), wk = 0.0021413 k( 84) = ( 0.4191919 -0.2964134 0.5134032), wk = 0.0021413 k( 85) = ( 0.4242424 -0.2999847 0.5195887), wk = 0.0021413 k( 86) = ( 0.4292929 -0.3035559 0.5257743), wk = 0.0021413 k( 87) = ( 0.4343434 -0.3071272 0.5319599), wk = 0.0021413 k( 88) = ( 0.4393939 -0.3106984 0.5381455), wk = 0.0021413 k( 89) = ( 0.4444444 -0.3142697 0.5443310), wk = 0.0021413 k( 90) = ( 0.4494950 -0.3178409 0.5505166), wk = 0.0021413 k( 91) = ( 0.4545455 -0.3214122 0.5567022), wk = 0.0021413 k( 92) = ( 0.4595960 -0.3249834 0.5628878), wk = 0.0021413 k( 93) = ( 0.4646465 -0.3285547 0.5690734), wk = 0.0021413 k( 94) = ( 0.4696970 -0.3321259 0.5752590), wk = 0.0021413 k( 95) = ( 0.4747475 -0.3356972 0.5814445), wk = 0.0021413 k( 96) = ( 0.4797980 -0.3392684 0.5876301), wk = 0.0021413 k( 97) = ( 0.4848485 -0.3428396 0.5938157), wk = 0.0021413 k( 98) = ( 0.4898990 -0.3464109 0.6000013), wk = 0.0021413 k( 99) = ( 0.4949495 -0.3499821 0.6061868), wk = 0.0021413 k( 100) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0021413 k( 101) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0021413 k( 102) = ( 0.4928571 -0.3485026 0.6123724), wk = 0.0021413 k( 103) = ( 0.4857143 -0.3434519 0.6123724), wk = 0.0021413 k( 104) = ( 0.4785714 -0.3384011 0.6123724), wk = 0.0021413 k( 105) = ( 0.4714286 -0.3333503 0.6123724), wk = 0.0021413 k( 106) = ( 0.4642857 -0.3282996 0.6123724), wk = 0.0021413 k( 107) = ( 0.4571429 -0.3232488 0.6123724), wk = 0.0021413 k( 108) = ( 0.4500000 -0.3181981 0.6123724), wk = 0.0021413 k( 109) = ( 0.4428571 -0.3131473 0.6123724), wk = 0.0021413 k( 110) = ( 0.4357143 -0.3080965 0.6123724), wk = 0.0021413 k( 111) = ( 0.4285714 -0.3030458 0.6123724), wk = 0.0021413 k( 112) = ( 0.4214286 -0.2979950 0.6123724), wk = 0.0021413 k( 113) = ( 0.4142857 -0.2929442 0.6123724), wk = 0.0021413 k( 114) = ( 0.4071429 -0.2878935 0.6123724), wk = 0.0021413 k( 115) = ( 0.4000000 -0.2828427 0.6123724), wk = 0.0021413 k( 116) = ( 0.3928571 -0.2777919 0.6123724), wk = 0.0021413 k( 117) = ( 0.3857143 -0.2727412 0.6123724), wk = 0.0021413 k( 118) = ( 0.3785714 -0.2676904 0.6123724), wk = 0.0021413 k( 119) = ( 0.3714286 -0.2626397 0.6123724), wk = 0.0021413 k( 120) = ( 0.3642857 -0.2575889 0.6123724), wk = 0.0021413 k( 121) = ( 0.3571429 -0.2525381 0.6123724), wk = 0.0021413 k( 122) = ( 0.3500000 -0.2474874 0.6123724), wk = 0.0021413 k( 123) = ( 0.3428571 -0.2424366 0.6123724), wk = 0.0021413 k( 124) = ( 0.3357143 -0.2373859 0.6123724), wk = 0.0021413 k( 125) = ( 0.3285714 -0.2323351 0.6123724), wk = 0.0021413 k( 126) = ( 0.3214286 -0.2272843 0.6123724), wk = 0.0021413 k( 127) = ( 0.3142857 -0.2222336 0.6123724), wk = 0.0021413 k( 128) = ( 0.3071429 -0.2171828 0.6123724), wk = 0.0021413 k( 129) = ( 0.3000000 -0.2121320 0.6123724), wk = 0.0021413 k( 130) = ( 0.2928571 -0.2070813 0.6123724), wk = 0.0021413 k( 131) = ( 0.2857143 -0.2020305 0.6123724), wk = 0.0021413 k( 132) = ( 0.2785714 -0.1969797 0.6123724), wk = 0.0021413 k( 133) = ( 0.2714286 -0.1919290 0.6123724), wk = 0.0021413 k( 134) = ( 0.2642857 -0.1868782 0.6123724), wk = 0.0021413 k( 135) = ( 0.2571429 -0.1818275 0.6123724), wk = 0.0021413 k( 136) = ( 0.2500000 -0.1767767 0.6123724), wk = 0.0021413 k( 137) = ( 0.2428571 -0.1717259 0.6123724), wk = 0.0021413 k( 138) = ( 0.2357143 -0.1666752 0.6123724), wk = 0.0021413 k( 139) = ( 0.2285714 -0.1616244 0.6123724), wk = 0.0021413 k( 140) = ( 0.2214286 -0.1565736 0.6123724), wk = 0.0021413 k( 141) = ( 0.2142857 -0.1515229 0.6123724), wk = 0.0021413 k( 142) = ( 0.2071429 -0.1464721 0.6123724), wk = 0.0021413 k( 143) = ( 0.2000000 -0.1414214 0.6123724), wk = 0.0021413 k( 144) = ( 0.1928571 -0.1363706 0.6123724), wk = 0.0021413 k( 145) = ( 0.1857143 -0.1313198 0.6123724), wk = 0.0021413 k( 146) = ( 0.1785714 -0.1262691 0.6123724), wk = 0.0021413 k( 147) = ( 0.1714286 -0.1212183 0.6123724), wk = 0.0021413 k( 148) = ( 0.1642857 -0.1161675 0.6123724), wk = 0.0021413 k( 149) = ( 0.1571429 -0.1111168 0.6123724), wk = 0.0021413 k( 150) = ( 0.1500000 -0.1060660 0.6123724), wk = 0.0021413 k( 151) = ( 0.1428571 -0.1010153 0.6123724), wk = 0.0021413 k( 152) = ( 0.1357143 -0.0959645 0.6123724), wk = 0.0021413 k( 153) = ( 0.1285714 -0.0909137 0.6123724), wk = 0.0021413 k( 154) = ( 0.1214286 -0.0858630 0.6123724), wk = 0.0021413 k( 155) = ( 0.1142857 -0.0808122 0.6123724), wk = 0.0021413 k( 156) = ( 0.1071429 -0.0757614 0.6123724), wk = 0.0021413 k( 157) = ( 0.1000000 -0.0707107 0.6123724), wk = 0.0021413 k( 158) = ( 0.0928571 -0.0656599 0.6123724), wk = 0.0021413 k( 159) = ( 0.0857143 -0.0606092 0.6123724), wk = 0.0021413 k( 160) = ( 0.0785714 -0.0555584 0.6123724), wk = 0.0021413 k( 161) = ( 0.0714286 -0.0505076 0.6123724), wk = 0.0021413 k( 162) = ( 0.0642857 -0.0454569 0.6123724), wk = 0.0021413 k( 163) = ( 0.0571429 -0.0404061 0.6123724), wk = 0.0021413 k( 164) = ( 0.0500000 -0.0353553 0.6123724), wk = 0.0021413 k( 165) = ( 0.0428571 -0.0303046 0.6123724), wk = 0.0021413 k( 166) = ( 0.0357143 -0.0252538 0.6123724), wk = 0.0021413 k( 167) = ( 0.0285714 -0.0202031 0.6123724), wk = 0.0021413 k( 168) = ( 0.0214286 -0.0151523 0.6123724), wk = 0.0021413 k( 169) = ( 0.0142857 -0.0101015 0.6123724), wk = 0.0021413 k( 170) = ( 0.0071429 -0.0050508 0.6123724), wk = 0.0021413 k( 171) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0021413 k( 172) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0021413 k( 173) = ( 0.0000000 0.0000000 0.6036243), wk = 0.0021413 k( 174) = ( 0.0000000 0.0000000 0.5948761), wk = 0.0021413 k( 175) = ( 0.0000000 0.0000000 0.5861279), wk = 0.0021413 k( 176) = ( 0.0000000 0.0000000 0.5773797), wk = 0.0021413 k( 177) = ( 0.0000000 0.0000000 0.5686315), wk = 0.0021413 k( 178) = ( 0.0000000 0.0000000 0.5598834), wk = 0.0021413 k( 179) = ( 0.0000000 0.0000000 0.5511352), wk = 0.0021413 k( 180) = ( 0.0000000 0.0000000 0.5423870), wk = 0.0021413 k( 181) = ( 0.0000000 0.0000000 0.5336388), wk = 0.0021413 k( 182) = ( 0.0000000 0.0000000 0.5248907), wk = 0.0021413 k( 183) = ( 0.0000000 0.0000000 0.5161425), wk = 0.0021413 k( 184) = ( 0.0000000 0.0000000 0.5073943), wk = 0.0021413 k( 185) = ( 0.0000000 0.0000000 0.4986461), wk = 0.0021413 k( 186) = ( 0.0000000 0.0000000 0.4898979), wk = 0.0021413 k( 187) = ( 0.0000000 0.0000000 0.4811498), wk = 0.0021413 k( 188) = ( 0.0000000 0.0000000 0.4724016), wk = 0.0021413 k( 189) = ( 0.0000000 0.0000000 0.4636534), wk = 0.0021413 k( 190) = ( 0.0000000 0.0000000 0.4549052), wk = 0.0021413 k( 191) = ( 0.0000000 0.0000000 0.4461571), wk = 0.0021413 k( 192) = ( 0.0000000 0.0000000 0.4374089), wk = 0.0021413 k( 193) = ( 0.0000000 0.0000000 0.4286607), wk = 0.0021413 k( 194) = ( 0.0000000 0.0000000 0.4199125), wk = 0.0021413 k( 195) = ( 0.0000000 0.0000000 0.4111644), wk = 0.0021413 k( 196) = ( 0.0000000 0.0000000 0.4024162), wk = 0.0021413 k( 197) = ( 0.0000000 0.0000000 0.3936680), wk = 0.0021413 k( 198) = ( 0.0000000 0.0000000 0.3849198), wk = 0.0021413 k( 199) = ( 0.0000000 0.0000000 0.3761716), wk = 0.0021413 k( 200) = ( 0.0000000 0.0000000 0.3674235), wk = 0.0021413 k( 201) = ( 0.0000000 0.0000000 0.3586753), wk = 0.0021413 k( 202) = ( 0.0000000 0.0000000 0.3499271), wk = 0.0021413 k( 203) = ( 0.0000000 0.0000000 0.3411789), wk = 0.0021413 k( 204) = ( 0.0000000 0.0000000 0.3324307), wk = 0.0021413 k( 205) = ( 0.0000000 0.0000000 0.3236826), wk = 0.0021413 k( 206) = ( 0.0000000 0.0000000 0.3149344), wk = 0.0021413 k( 207) = ( 0.0000000 0.0000000 0.3061862), wk = 0.0021413 k( 208) = ( 0.0000000 0.0000000 0.2974380), wk = 0.0021413 k( 209) = ( 0.0000000 0.0000000 0.2886899), wk = 0.0021413 k( 210) = ( 0.0000000 0.0000000 0.2799417), wk = 0.0021413 k( 211) = ( 0.0000000 0.0000000 0.2711935), wk = 0.0021413 k( 212) = ( 0.0000000 0.0000000 0.2624453), wk = 0.0021413 k( 213) = ( 0.0000000 0.0000000 0.2536972), wk = 0.0021413 k( 214) = ( 0.0000000 0.0000000 0.2449490), wk = 0.0021413 k( 215) = ( 0.0000000 0.0000000 0.2362008), wk = 0.0021413 k( 216) = ( 0.0000000 0.0000000 0.2274526), wk = 0.0021413 k( 217) = ( 0.0000000 0.0000000 0.2187044), wk = 0.0021413 k( 218) = ( 0.0000000 0.0000000 0.2099563), wk = 0.0021413 k( 219) = ( 0.0000000 0.0000000 0.2012081), wk = 0.0021413 k( 220) = ( 0.0000000 0.0000000 0.1924599), wk = 0.0021413 k( 221) = ( 0.0000000 0.0000000 0.1837117), wk = 0.0021413 k( 222) = ( 0.0000000 0.0000000 0.1749635), wk = 0.0021413 k( 223) = ( 0.0000000 0.0000000 0.1662154), wk = 0.0021413 k( 224) = ( 0.0000000 0.0000000 0.1574672), wk = 0.0021413 k( 225) = ( 0.0000000 0.0000000 0.1487190), wk = 0.0021413 k( 226) = ( 0.0000000 0.0000000 0.1399708), wk = 0.0021413 k( 227) = ( 0.0000000 0.0000000 0.1312227), wk = 0.0021413 k( 228) = ( 0.0000000 0.0000000 0.1224745), wk = 0.0021413 k( 229) = ( 0.0000000 0.0000000 0.1137263), wk = 0.0021413 k( 230) = ( 0.0000000 0.0000000 0.1049781), wk = 0.0021413 k( 231) = ( 0.0000000 0.0000000 0.0962300), wk = 0.0021413 k( 232) = ( 0.0000000 0.0000000 0.0874818), wk = 0.0021413 k( 233) = ( 0.0000000 0.0000000 0.0787336), wk = 0.0021413 k( 234) = ( 0.0000000 0.0000000 0.0699854), wk = 0.0021413 k( 235) = ( 0.0000000 0.0000000 0.0612372), wk = 0.0021413 k( 236) = ( 0.0000000 0.0000000 0.0524891), wk = 0.0021413 k( 237) = ( 0.0000000 0.0000000 0.0437409), wk = 0.0021413 k( 238) = ( 0.0000000 0.0000000 0.0349927), wk = 0.0021413 k( 239) = ( 0.0000000 0.0000000 0.0262445), wk = 0.0021413 k( 240) = ( 0.0000000 0.0000000 0.0174964), wk = 0.0021413 k( 241) = ( 0.0000000 0.0000000 0.0087482), wk = 0.0021413 k( 242) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 244) = ( 0.0029070 0.0041111 0.0071206), wk = 0.0021413 k( 245) = ( 0.0058140 0.0082222 0.0142412), wk = 0.0021413 k( 246) = ( 0.0087209 0.0123333 0.0213618), wk = 0.0021413 k( 247) = ( 0.0116279 0.0164443 0.0284824), wk = 0.0021413 k( 248) = ( 0.0145349 0.0205554 0.0356030), wk = 0.0021413 k( 249) = ( 0.0174419 0.0246665 0.0427237), wk = 0.0021413 k( 250) = ( 0.0203488 0.0287776 0.0498443), wk = 0.0021413 k( 251) = ( 0.0232558 0.0328887 0.0569649), wk = 0.0021413 k( 252) = ( 0.0261628 0.0369998 0.0640855), wk = 0.0021413 k( 253) = ( 0.0290698 0.0411109 0.0712061), wk = 0.0021413 k( 254) = ( 0.0319767 0.0452219 0.0783267), wk = 0.0021413 k( 255) = ( 0.0348837 0.0493330 0.0854473), wk = 0.0021413 k( 256) = ( 0.0377907 0.0534441 0.0925679), wk = 0.0021413 k( 257) = ( 0.0406977 0.0575552 0.0996885), wk = 0.0021413 k( 258) = ( 0.0436047 0.0616663 0.1068091), wk = 0.0021413 k( 259) = ( 0.0465116 0.0657774 0.1139298), wk = 0.0021413 k( 260) = ( 0.0494186 0.0698885 0.1210504), wk = 0.0021413 k( 261) = ( 0.0523256 0.0739995 0.1281710), wk = 0.0021413 k( 262) = ( 0.0552326 0.0781106 0.1352916), wk = 0.0021413 k( 263) = ( 0.0581395 0.0822217 0.1424122), wk = 0.0021413 k( 264) = ( 0.0610465 0.0863328 0.1495328), wk = 0.0021413 k( 265) = ( 0.0639535 0.0904439 0.1566534), wk = 0.0021413 k( 266) = ( 0.0668605 0.0945550 0.1637740), wk = 0.0021413 k( 267) = ( 0.0697674 0.0986661 0.1708946), wk = 0.0021413 k( 268) = ( 0.0726744 0.1027772 0.1780152), wk = 0.0021413 k( 269) = ( 0.0755814 0.1068882 0.1851359), wk = 0.0021413 k( 270) = ( 0.0784884 0.1109993 0.1922565), wk = 0.0021413 k( 271) = ( 0.0813954 0.1151104 0.1993771), wk = 0.0021413 k( 272) = ( 0.0843023 0.1192215 0.2064977), wk = 0.0021413 k( 273) = ( 0.0872093 0.1233326 0.2136183), wk = 0.0021413 k( 274) = ( 0.0901163 0.1274437 0.2207389), wk = 0.0021413 k( 275) = ( 0.0930233 0.1315548 0.2278595), wk = 0.0021413 k( 276) = ( 0.0959302 0.1356658 0.2349801), wk = 0.0021413 k( 277) = ( 0.0988372 0.1397769 0.2421007), wk = 0.0021413 k( 278) = ( 0.1017442 0.1438880 0.2492213), wk = 0.0021413 k( 279) = ( 0.1046512 0.1479991 0.2563419), wk = 0.0021413 k( 280) = ( 0.1075581 0.1521102 0.2634626), wk = 0.0021413 k( 281) = ( 0.1104651 0.1562213 0.2705832), wk = 0.0021413 k( 282) = ( 0.1133721 0.1603323 0.2777038), wk = 0.0021413 k( 283) = ( 0.1162791 0.1644434 0.2848244), wk = 0.0021413 k( 284) = ( 0.1191861 0.1685545 0.2919450), wk = 0.0021413 k( 285) = ( 0.1220930 0.1726656 0.2990656), wk = 0.0021413 k( 286) = ( 0.1250000 0.1767767 0.3061862), wk = 0.0021413 k( 287) = ( 0.1279070 0.1808878 0.3133068), wk = 0.0021413 k( 288) = ( 0.1308140 0.1849989 0.3204274), wk = 0.0021413 k( 289) = ( 0.1337209 0.1891100 0.3275480), wk = 0.0021413 k( 290) = ( 0.1366279 0.1932210 0.3346687), wk = 0.0021413 k( 291) = ( 0.1395349 0.1973321 0.3417893), wk = 0.0021413 k( 292) = ( 0.1424419 0.2014432 0.3489099), wk = 0.0021413 k( 293) = ( 0.1453488 0.2055543 0.3560305), wk = 0.0021413 k( 294) = ( 0.1482558 0.2096654 0.3631511), wk = 0.0021413 k( 295) = ( 0.1511628 0.2137765 0.3702717), wk = 0.0021413 k( 296) = ( 0.1540698 0.2178876 0.3773923), wk = 0.0021413 k( 297) = ( 0.1569767 0.2219986 0.3845129), wk = 0.0021413 k( 298) = ( 0.1598837 0.2261097 0.3916335), wk = 0.0021413 k( 299) = ( 0.1627907 0.2302208 0.3987541), wk = 0.0021413 k( 300) = ( 0.1656977 0.2343319 0.4058747), wk = 0.0021413 k( 301) = ( 0.1686046 0.2384430 0.4129954), wk = 0.0021413 k( 302) = ( 0.1715116 0.2425541 0.4201160), wk = 0.0021413 k( 303) = ( 0.1744186 0.2466651 0.4272366), wk = 0.0021413 k( 304) = ( 0.1773256 0.2507762 0.4343572), wk = 0.0021413 k( 305) = ( 0.1802326 0.2548873 0.4414778), wk = 0.0021413 k( 306) = ( 0.1831395 0.2589984 0.4485984), wk = 0.0021413 k( 307) = ( 0.1860465 0.2631095 0.4557190), wk = 0.0021413 k( 308) = ( 0.1889535 0.2672206 0.4628396), wk = 0.0021413 k( 309) = ( 0.1918605 0.2713317 0.4699603), wk = 0.0021413 k( 310) = ( 0.1947674 0.2754428 0.4770808), wk = 0.0021413 k( 311) = ( 0.1976744 0.2795538 0.4842015), wk = 0.0021413 k( 312) = ( 0.2005814 0.2836649 0.4913221), wk = 0.0021413 k( 313) = ( 0.2034884 0.2877760 0.4984427), wk = 0.0021413 k( 314) = ( 0.2063954 0.2918871 0.5055633), wk = 0.0021413 k( 315) = ( 0.2093023 0.2959982 0.5126839), wk = 0.0021413 k( 316) = ( 0.2122093 0.3001093 0.5198045), wk = 0.0021413 k( 317) = ( 0.2151163 0.3042204 0.5269251), wk = 0.0021413 k( 318) = ( 0.2180233 0.3083315 0.5340457), wk = 0.0021413 k( 319) = ( 0.2209302 0.3124425 0.5411663), wk = 0.0021413 k( 320) = ( 0.2238372 0.3165536 0.5482869), wk = 0.0021413 k( 321) = ( 0.2267442 0.3206647 0.5554076), wk = 0.0021413 k( 322) = ( 0.2296512 0.3247758 0.5625282), wk = 0.0021413 k( 323) = ( 0.2325581 0.3288869 0.5696488), wk = 0.0021413 k( 324) = ( 0.2354651 0.3329980 0.5767694), wk = 0.0021413 k( 325) = ( 0.2383721 0.3371090 0.5838900), wk = 0.0021413 k( 326) = ( 0.2412791 0.3412201 0.5910106), wk = 0.0021413 k( 327) = ( 0.2441860 0.3453312 0.5981312), wk = 0.0021413 k( 328) = ( 0.2470930 0.3494423 0.6052518), wk = 0.0021413 k( 329) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0021413 k( 330) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0021413 k( 331) = ( 0.2529070 0.3453312 0.6123724), wk = 0.0021413 k( 332) = ( 0.2558140 0.3371090 0.6123724), wk = 0.0021413 k( 333) = ( 0.2587209 0.3288869 0.6123724), wk = 0.0021413 k( 334) = ( 0.2616279 0.3206647 0.6123724), wk = 0.0021413 k( 335) = ( 0.2645349 0.3124425 0.6123724), wk = 0.0021413 k( 336) = ( 0.2674419 0.3042204 0.6123724), wk = 0.0021413 k( 337) = ( 0.2703488 0.2959982 0.6123724), wk = 0.0021413 k( 338) = ( 0.2732558 0.2877760 0.6123724), wk = 0.0021413 k( 339) = ( 0.2761628 0.2795538 0.6123724), wk = 0.0021413 k( 340) = ( 0.2790698 0.2713317 0.6123724), wk = 0.0021413 k( 341) = ( 0.2819767 0.2631095 0.6123724), wk = 0.0021413 k( 342) = ( 0.2848837 0.2548873 0.6123724), wk = 0.0021413 k( 343) = ( 0.2877907 0.2466652 0.6123724), wk = 0.0021413 k( 344) = ( 0.2906977 0.2384430 0.6123724), wk = 0.0021413 k( 345) = ( 0.2936047 0.2302208 0.6123724), wk = 0.0021413 k( 346) = ( 0.2965116 0.2219986 0.6123724), wk = 0.0021413 k( 347) = ( 0.2994186 0.2137765 0.6123724), wk = 0.0021413 k( 348) = ( 0.3023256 0.2055543 0.6123724), wk = 0.0021413 k( 349) = ( 0.3052326 0.1973321 0.6123724), wk = 0.0021413 k( 350) = ( 0.3081395 0.1891100 0.6123724), wk = 0.0021413 k( 351) = ( 0.3110465 0.1808878 0.6123724), wk = 0.0021413 k( 352) = ( 0.3139535 0.1726656 0.6123724), wk = 0.0021413 k( 353) = ( 0.3168605 0.1644434 0.6123724), wk = 0.0021413 k( 354) = ( 0.3197674 0.1562213 0.6123724), wk = 0.0021413 k( 355) = ( 0.3226744 0.1479991 0.6123724), wk = 0.0021413 k( 356) = ( 0.3255814 0.1397769 0.6123724), wk = 0.0021413 k( 357) = ( 0.3284884 0.1315547 0.6123724), wk = 0.0021413 k( 358) = ( 0.3313953 0.1233326 0.6123724), wk = 0.0021413 k( 359) = ( 0.3343023 0.1151104 0.6123724), wk = 0.0021413 k( 360) = ( 0.3372093 0.1068882 0.6123724), wk = 0.0021413 k( 361) = ( 0.3401163 0.0986661 0.6123724), wk = 0.0021413 k( 362) = ( 0.3430233 0.0904439 0.6123724), wk = 0.0021413 k( 363) = ( 0.3459302 0.0822217 0.6123724), wk = 0.0021413 k( 364) = ( 0.3488372 0.0739995 0.6123724), wk = 0.0021413 k( 365) = ( 0.3517442 0.0657774 0.6123724), wk = 0.0021413 k( 366) = ( 0.3546512 0.0575552 0.6123724), wk = 0.0021413 k( 367) = ( 0.3575581 0.0493330 0.6123724), wk = 0.0021413 k( 368) = ( 0.3604651 0.0411109 0.6123724), wk = 0.0021413 k( 369) = ( 0.3633721 0.0328887 0.6123724), wk = 0.0021413 k( 370) = ( 0.3662791 0.0246665 0.6123724), wk = 0.0021413 k( 371) = ( 0.3691860 0.0164443 0.6123724), wk = 0.0021413 k( 372) = ( 0.3720930 0.0082222 0.6123724), wk = 0.0021413 k( 373) = ( 0.3750000 -0.0000000 0.6123724), wk = 0.0021413 k( 374) = ( 0.3779070 -0.0082222 0.6123724), wk = 0.0021413 k( 375) = ( 0.3808140 -0.0164443 0.6123724), wk = 0.0021413 k( 376) = ( 0.3837209 -0.0246665 0.6123724), wk = 0.0021413 k( 377) = ( 0.3866279 -0.0328887 0.6123724), wk = 0.0021413 k( 378) = ( 0.3895349 -0.0411109 0.6123724), wk = 0.0021413 k( 379) = ( 0.3924419 -0.0493330 0.6123724), wk = 0.0021413 k( 380) = ( 0.3953488 -0.0575552 0.6123724), wk = 0.0021413 k( 381) = ( 0.3982558 -0.0657774 0.6123724), wk = 0.0021413 k( 382) = ( 0.4011628 -0.0739995 0.6123724), wk = 0.0021413 k( 383) = ( 0.4040698 -0.0822217 0.6123724), wk = 0.0021413 k( 384) = ( 0.4069767 -0.0904439 0.6123724), wk = 0.0021413 k( 385) = ( 0.4098837 -0.0986661 0.6123724), wk = 0.0021413 k( 386) = ( 0.4127907 -0.1068882 0.6123724), wk = 0.0021413 k( 387) = ( 0.4156977 -0.1151104 0.6123724), wk = 0.0021413 k( 388) = ( 0.4186047 -0.1233326 0.6123724), wk = 0.0021413 k( 389) = ( 0.4215116 -0.1315547 0.6123724), wk = 0.0021413 k( 390) = ( 0.4244186 -0.1397769 0.6123724), wk = 0.0021413 k( 391) = ( 0.4273256 -0.1479991 0.6123724), wk = 0.0021413 k( 392) = ( 0.4302326 -0.1562213 0.6123724), wk = 0.0021413 k( 393) = ( 0.4331395 -0.1644434 0.6123724), wk = 0.0021413 k( 394) = ( 0.4360465 -0.1726656 0.6123724), wk = 0.0021413 k( 395) = ( 0.4389535 -0.1808878 0.6123724), wk = 0.0021413 k( 396) = ( 0.4418605 -0.1891100 0.6123724), wk = 0.0021413 k( 397) = ( 0.4447674 -0.1973321 0.6123724), wk = 0.0021413 k( 398) = ( 0.4476744 -0.2055543 0.6123724), wk = 0.0021413 k( 399) = ( 0.4505814 -0.2137765 0.6123724), wk = 0.0021413 k( 400) = ( 0.4534884 -0.2219986 0.6123724), wk = 0.0021413 k( 401) = ( 0.4563953 -0.2302208 0.6123724), wk = 0.0021413 k( 402) = ( 0.4593023 -0.2384430 0.6123724), wk = 0.0021413 k( 403) = ( 0.4622093 -0.2466652 0.6123724), wk = 0.0021413 k( 404) = ( 0.4651163 -0.2548873 0.6123724), wk = 0.0021413 k( 405) = ( 0.4680233 -0.2631095 0.6123724), wk = 0.0021413 k( 406) = ( 0.4709302 -0.2713317 0.6123724), wk = 0.0021413 k( 407) = ( 0.4738372 -0.2795538 0.6123724), wk = 0.0021413 k( 408) = ( 0.4767442 -0.2877760 0.6123724), wk = 0.0021413 k( 409) = ( 0.4796512 -0.2959982 0.6123724), wk = 0.0021413 k( 410) = ( 0.4825581 -0.3042204 0.6123724), wk = 0.0021413 k( 411) = ( 0.4854651 -0.3124425 0.6123724), wk = 0.0021413 k( 412) = ( 0.4883721 -0.3206647 0.6123724), wk = 0.0021413 k( 413) = ( 0.4912791 -0.3288869 0.6123724), wk = 0.0021413 k( 414) = ( 0.4941860 -0.3371090 0.6123724), wk = 0.0021413 k( 415) = ( 0.4970930 -0.3453312 0.6123724), wk = 0.0021413 k( 416) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0021413 k( 417) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0021413 k( 418) = ( 0.2450000 0.3464823 0.6123724), wk = 0.0021413 k( 419) = ( 0.2400000 0.3394113 0.6123724), wk = 0.0021413 k( 420) = ( 0.2350000 0.3323402 0.6123724), wk = 0.0021413 k( 421) = ( 0.2300000 0.3252691 0.6123724), wk = 0.0021413 k( 422) = ( 0.2250000 0.3181981 0.6123724), wk = 0.0021413 k( 423) = ( 0.2200000 0.3111270 0.6123724), wk = 0.0021413 k( 424) = ( 0.2150000 0.3040559 0.6123724), wk = 0.0021413 k( 425) = ( 0.2100000 0.2969848 0.6123724), wk = 0.0021413 k( 426) = ( 0.2050000 0.2899138 0.6123724), wk = 0.0021413 k( 427) = ( 0.2000000 0.2828427 0.6123724), wk = 0.0021413 k( 428) = ( 0.1950000 0.2757716 0.6123724), wk = 0.0021413 k( 429) = ( 0.1900000 0.2687006 0.6123724), wk = 0.0021413 k( 430) = ( 0.1850000 0.2616295 0.6123724), wk = 0.0021413 k( 431) = ( 0.1800000 0.2545584 0.6123724), wk = 0.0021413 k( 432) = ( 0.1750000 0.2474874 0.6123724), wk = 0.0021413 k( 433) = ( 0.1700000 0.2404163 0.6123724), wk = 0.0021413 k( 434) = ( 0.1650000 0.2333452 0.6123724), wk = 0.0021413 k( 435) = ( 0.1600000 0.2262742 0.6123724), wk = 0.0021413 k( 436) = ( 0.1550000 0.2192031 0.6123724), wk = 0.0021413 k( 437) = ( 0.1500000 0.2121320 0.6123724), wk = 0.0021413 k( 438) = ( 0.1450000 0.2050610 0.6123724), wk = 0.0021413 k( 439) = ( 0.1400000 0.1979899 0.6123724), wk = 0.0021413 k( 440) = ( 0.1350000 0.1909188 0.6123724), wk = 0.0021413 k( 441) = ( 0.1300000 0.1838478 0.6123724), wk = 0.0021413 k( 442) = ( 0.1250000 0.1767767 0.6123724), wk = 0.0021413 k( 443) = ( 0.1200000 0.1697056 0.6123724), wk = 0.0021413 k( 444) = ( 0.1150000 0.1626346 0.6123724), wk = 0.0021413 k( 445) = ( 0.1100000 0.1555635 0.6123724), wk = 0.0021413 k( 446) = ( 0.1050000 0.1484924 0.6123724), wk = 0.0021413 k( 447) = ( 0.1000000 0.1414214 0.6123724), wk = 0.0021413 k( 448) = ( 0.0950000 0.1343503 0.6123724), wk = 0.0021413 k( 449) = ( 0.0900000 0.1272792 0.6123724), wk = 0.0021413 k( 450) = ( 0.0850000 0.1202082 0.6123724), wk = 0.0021413 k( 451) = ( 0.0800000 0.1131371 0.6123724), wk = 0.0021413 k( 452) = ( 0.0750000 0.1060660 0.6123724), wk = 0.0021413 k( 453) = ( 0.0700000 0.0989949 0.6123724), wk = 0.0021413 k( 454) = ( 0.0650000 0.0919239 0.6123724), wk = 0.0021413 k( 455) = ( 0.0600000 0.0848528 0.6123724), wk = 0.0021413 k( 456) = ( 0.0550000 0.0777817 0.6123724), wk = 0.0021413 k( 457) = ( 0.0500000 0.0707107 0.6123724), wk = 0.0021413 k( 458) = ( 0.0450000 0.0636396 0.6123724), wk = 0.0021413 k( 459) = ( 0.0400000 0.0565685 0.6123724), wk = 0.0021413 k( 460) = ( 0.0350000 0.0494975 0.6123724), wk = 0.0021413 k( 461) = ( 0.0300000 0.0424264 0.6123724), wk = 0.0021413 k( 462) = ( 0.0250000 0.0353553 0.6123724), wk = 0.0021413 k( 463) = ( 0.0200000 0.0282843 0.6123724), wk = 0.0021413 k( 464) = ( 0.0150000 0.0212132 0.6123724), wk = 0.0021413 k( 465) = ( 0.0100000 0.0141421 0.6123724), wk = 0.0021413 k( 466) = ( 0.0050000 0.0070711 0.6123724), wk = 0.0021413 k( 467) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0021413 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 2) = ( 0.0050505 -0.0050505 0.0050505), wk = 0.0021413 k( 3) = ( 0.0101010 -0.0101010 0.0101010), wk = 0.0021413 k( 4) = ( 0.0151515 -0.0151515 0.0151515), wk = 0.0021413 k( 5) = ( 0.0202020 -0.0202020 0.0202020), wk = 0.0021413 k( 6) = ( 0.0252525 -0.0252525 0.0252525), wk = 0.0021413 k( 7) = ( 0.0303030 -0.0303030 0.0303030), wk = 0.0021413 k( 8) = ( 0.0353535 -0.0353535 0.0353535), wk = 0.0021413 k( 9) = ( 0.0404040 -0.0404040 0.0404040), wk = 0.0021413 k( 10) = ( 0.0454546 -0.0454546 0.0454546), wk = 0.0021413 k( 11) = ( 0.0505051 -0.0505051 0.0505051), wk = 0.0021413 k( 12) = ( 0.0555556 -0.0555556 0.0555556), wk = 0.0021413 k( 13) = ( 0.0606061 -0.0606061 0.0606061), wk = 0.0021413 k( 14) = ( 0.0656566 -0.0656566 0.0656566), wk = 0.0021413 k( 15) = ( 0.0707071 -0.0707071 0.0707071), wk = 0.0021413 k( 16) = ( 0.0757576 -0.0757576 0.0757576), wk = 0.0021413 k( 17) = ( 0.0808081 -0.0808081 0.0808081), wk = 0.0021413 k( 18) = ( 0.0858586 -0.0858586 0.0858586), wk = 0.0021413 k( 19) = ( 0.0909091 -0.0909091 0.0909091), wk = 0.0021413 k( 20) = ( 0.0959596 -0.0959596 0.0959596), wk = 0.0021413 k( 21) = ( 0.1010101 -0.1010101 0.1010101), wk = 0.0021413 k( 22) = ( 0.1060606 -0.1060606 0.1060606), wk = 0.0021413 k( 23) = ( 0.1111111 -0.1111111 0.1111111), wk = 0.0021413 k( 24) = ( 0.1161616 -0.1161616 0.1161616), wk = 0.0021413 k( 25) = ( 0.1212121 -0.1212121 0.1212121), wk = 0.0021413 k( 26) = ( 0.1262626 -0.1262626 0.1262626), wk = 0.0021413 k( 27) = ( 0.1313131 -0.1313131 0.1313131), wk = 0.0021413 k( 28) = ( 0.1363636 -0.1363636 0.1363636), wk = 0.0021413 k( 29) = ( 0.1414141 -0.1414141 0.1414141), wk = 0.0021413 k( 30) = ( 0.1464647 -0.1464647 0.1464647), wk = 0.0021413 k( 31) = ( 0.1515151 -0.1515152 0.1515151), wk = 0.0021413 k( 32) = ( 0.1565657 -0.1565657 0.1565657), wk = 0.0021413 k( 33) = ( 0.1616162 -0.1616162 0.1616162), wk = 0.0021413 k( 34) = ( 0.1666667 -0.1666667 0.1666667), wk = 0.0021413 k( 35) = ( 0.1717172 -0.1717172 0.1717172), wk = 0.0021413 k( 36) = ( 0.1767677 -0.1767677 0.1767677), wk = 0.0021413 k( 37) = ( 0.1818182 -0.1818182 0.1818182), wk = 0.0021413 k( 38) = ( 0.1868687 -0.1868687 0.1868687), wk = 0.0021413 k( 39) = ( 0.1919192 -0.1919192 0.1919192), wk = 0.0021413 k( 40) = ( 0.1969697 -0.1969697 0.1969697), wk = 0.0021413 k( 41) = ( 0.2020202 -0.2020202 0.2020202), wk = 0.0021413 k( 42) = ( 0.2070707 -0.2070707 0.2070707), wk = 0.0021413 k( 43) = ( 0.2121212 -0.2121212 0.2121212), wk = 0.0021413 k( 44) = ( 0.2171717 -0.2171717 0.2171717), wk = 0.0021413 k( 45) = ( 0.2222222 -0.2222222 0.2222222), wk = 0.0021413 k( 46) = ( 0.2272727 -0.2272727 0.2272727), wk = 0.0021413 k( 47) = ( 0.2323232 -0.2323232 0.2323232), wk = 0.0021413 k( 48) = ( 0.2373737 -0.2373737 0.2373737), wk = 0.0021413 k( 49) = ( 0.2424242 -0.2424242 0.2424242), wk = 0.0021413 k( 50) = ( 0.2474747 -0.2474748 0.2474748), wk = 0.0021413 k( 51) = ( 0.2525252 -0.2525253 0.2525253), wk = 0.0021413 k( 52) = ( 0.2575758 -0.2575758 0.2575758), wk = 0.0021413 k( 53) = ( 0.2626263 -0.2626263 0.2626263), wk = 0.0021413 k( 54) = ( 0.2676768 -0.2676768 0.2676768), wk = 0.0021413 k( 55) = ( 0.2727273 -0.2727273 0.2727273), wk = 0.0021413 k( 56) = ( 0.2777778 -0.2777778 0.2777778), wk = 0.0021413 k( 57) = ( 0.2828283 -0.2828283 0.2828283), wk = 0.0021413 k( 58) = ( 0.2878788 -0.2878788 0.2878788), wk = 0.0021413 k( 59) = ( 0.2929293 -0.2929293 0.2929293), wk = 0.0021413 k( 60) = ( 0.2979798 -0.2979798 0.2979798), wk = 0.0021413 k( 61) = ( 0.3030303 -0.3030303 0.3030303), wk = 0.0021413 k( 62) = ( 0.3080808 -0.3080808 0.3080808), wk = 0.0021413 k( 63) = ( 0.3131313 -0.3131313 0.3131313), wk = 0.0021413 k( 64) = ( 0.3181818 -0.3181818 0.3181818), wk = 0.0021413 k( 65) = ( 0.3232323 -0.3232323 0.3232323), wk = 0.0021413 k( 66) = ( 0.3282828 -0.3282828 0.3282828), wk = 0.0021413 k( 67) = ( 0.3333333 -0.3333333 0.3333333), wk = 0.0021413 k( 68) = ( 0.3383838 -0.3383838 0.3383838), wk = 0.0021413 k( 69) = ( 0.3434343 -0.3434343 0.3434343), wk = 0.0021413 k( 70) = ( 0.3484849 -0.3484849 0.3484849), wk = 0.0021413 k( 71) = ( 0.3535354 -0.3535354 0.3535354), wk = 0.0021413 k( 72) = ( 0.3585859 -0.3585859 0.3585859), wk = 0.0021413 k( 73) = ( 0.3636364 -0.3636364 0.3636364), wk = 0.0021413 k( 74) = ( 0.3686869 -0.3686869 0.3686869), wk = 0.0021413 k( 75) = ( 0.3737374 -0.3737374 0.3737374), wk = 0.0021413 k( 76) = ( 0.3787879 -0.3787879 0.3787879), wk = 0.0021413 k( 77) = ( 0.3838384 -0.3838384 0.3838384), wk = 0.0021413 k( 78) = ( 0.3888889 -0.3888889 0.3888889), wk = 0.0021413 k( 79) = ( 0.3939394 -0.3939394 0.3939394), wk = 0.0021413 k( 80) = ( 0.3989899 -0.3989899 0.3989899), wk = 0.0021413 k( 81) = ( 0.4040404 -0.4040404 0.4040404), wk = 0.0021413 k( 82) = ( 0.4090909 -0.4090909 0.4090909), wk = 0.0021413 k( 83) = ( 0.4141414 -0.4141414 0.4141414), wk = 0.0021413 k( 84) = ( 0.4191919 -0.4191919 0.4191919), wk = 0.0021413 k( 85) = ( 0.4242424 -0.4242424 0.4242424), wk = 0.0021413 k( 86) = ( 0.4292929 -0.4292929 0.4292929), wk = 0.0021413 k( 87) = ( 0.4343434 -0.4343434 0.4343434), wk = 0.0021413 k( 88) = ( 0.4393939 -0.4393939 0.4393939), wk = 0.0021413 k( 89) = ( 0.4444444 -0.4444444 0.4444444), wk = 0.0021413 k( 90) = ( 0.4494950 -0.4494949 0.4494950), wk = 0.0021413 k( 91) = ( 0.4545455 -0.4545455 0.4545455), wk = 0.0021413 k( 92) = ( 0.4595960 -0.4595960 0.4595960), wk = 0.0021413 k( 93) = ( 0.4646465 -0.4646465 0.4646465), wk = 0.0021413 k( 94) = ( 0.4696970 -0.4696970 0.4696970), wk = 0.0021413 k( 95) = ( 0.4747475 -0.4747475 0.4747475), wk = 0.0021413 k( 96) = ( 0.4797980 -0.4797980 0.4797980), wk = 0.0021413 k( 97) = ( 0.4848485 -0.4848485 0.4848485), wk = 0.0021413 k( 98) = ( 0.4898990 -0.4898990 0.4898990), wk = 0.0021413 k( 99) = ( 0.4949495 -0.4949495 0.4949495), wk = 0.0021413 k( 100) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0021413 k( 101) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0021413 k( 102) = ( 0.4928571 -0.4928571 0.5000000), wk = 0.0021413 k( 103) = ( 0.4857143 -0.4857143 0.5000000), wk = 0.0021413 k( 104) = ( 0.4785714 -0.4785714 0.5000000), wk = 0.0021413 k( 105) = ( 0.4714286 -0.4714286 0.5000000), wk = 0.0021413 k( 106) = ( 0.4642857 -0.4642857 0.5000000), wk = 0.0021413 k( 107) = ( 0.4571429 -0.4571429 0.5000000), wk = 0.0021413 k( 108) = ( 0.4500000 -0.4500000 0.5000000), wk = 0.0021413 k( 109) = ( 0.4428571 -0.4428571 0.5000000), wk = 0.0021413 k( 110) = ( 0.4357143 -0.4357143 0.5000000), wk = 0.0021413 k( 111) = ( 0.4285714 -0.4285714 0.5000000), wk = 0.0021413 k( 112) = ( 0.4214286 -0.4214286 0.5000000), wk = 0.0021413 k( 113) = ( 0.4142857 -0.4142857 0.5000000), wk = 0.0021413 k( 114) = ( 0.4071429 -0.4071429 0.5000000), wk = 0.0021413 k( 115) = ( 0.4000000 -0.4000000 0.5000000), wk = 0.0021413 k( 116) = ( 0.3928571 -0.3928571 0.5000000), wk = 0.0021413 k( 117) = ( 0.3857143 -0.3857143 0.5000000), wk = 0.0021413 k( 118) = ( 0.3785714 -0.3785714 0.5000000), wk = 0.0021413 k( 119) = ( 0.3714286 -0.3714286 0.5000000), wk = 0.0021413 k( 120) = ( 0.3642857 -0.3642857 0.5000000), wk = 0.0021413 k( 121) = ( 0.3571429 -0.3571429 0.5000000), wk = 0.0021413 k( 122) = ( 0.3500000 -0.3500000 0.5000000), wk = 0.0021413 k( 123) = ( 0.3428571 -0.3428571 0.5000000), wk = 0.0021413 k( 124) = ( 0.3357143 -0.3357143 0.5000000), wk = 0.0021413 k( 125) = ( 0.3285714 -0.3285714 0.5000000), wk = 0.0021413 k( 126) = ( 0.3214286 -0.3214286 0.5000000), wk = 0.0021413 k( 127) = ( 0.3142857 -0.3142857 0.5000000), wk = 0.0021413 k( 128) = ( 0.3071429 -0.3071429 0.5000000), wk = 0.0021413 k( 129) = ( 0.3000000 -0.3000000 0.5000000), wk = 0.0021413 k( 130) = ( 0.2928571 -0.2928571 0.5000000), wk = 0.0021413 k( 131) = ( 0.2857143 -0.2857143 0.5000000), wk = 0.0021413 k( 132) = ( 0.2785714 -0.2785714 0.5000000), wk = 0.0021413 k( 133) = ( 0.2714286 -0.2714286 0.5000000), wk = 0.0021413 k( 134) = ( 0.2642857 -0.2642857 0.5000000), wk = 0.0021413 k( 135) = ( 0.2571429 -0.2571429 0.5000000), wk = 0.0021413 k( 136) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0021413 k( 137) = ( 0.2428571 -0.2428571 0.5000000), wk = 0.0021413 k( 138) = ( 0.2357143 -0.2357143 0.5000000), wk = 0.0021413 k( 139) = ( 0.2285714 -0.2285714 0.5000000), wk = 0.0021413 k( 140) = ( 0.2214286 -0.2214286 0.5000000), wk = 0.0021413 k( 141) = ( 0.2142857 -0.2142857 0.5000000), wk = 0.0021413 k( 142) = ( 0.2071429 -0.2071429 0.5000000), wk = 0.0021413 k( 143) = ( 0.2000000 -0.2000000 0.5000000), wk = 0.0021413 k( 144) = ( 0.1928571 -0.1928571 0.5000000), wk = 0.0021413 k( 145) = ( 0.1857143 -0.1857143 0.5000000), wk = 0.0021413 k( 146) = ( 0.1785714 -0.1785714 0.5000000), wk = 0.0021413 k( 147) = ( 0.1714286 -0.1714286 0.5000000), wk = 0.0021413 k( 148) = ( 0.1642857 -0.1642857 0.5000000), wk = 0.0021413 k( 149) = ( 0.1571429 -0.1571429 0.5000000), wk = 0.0021413 k( 150) = ( 0.1500000 -0.1500000 0.5000000), wk = 0.0021413 k( 151) = ( 0.1428571 -0.1428571 0.5000000), wk = 0.0021413 k( 152) = ( 0.1357143 -0.1357143 0.5000000), wk = 0.0021413 k( 153) = ( 0.1285714 -0.1285714 0.5000000), wk = 0.0021413 k( 154) = ( 0.1214286 -0.1214286 0.5000000), wk = 0.0021413 k( 155) = ( 0.1142857 -0.1142857 0.5000000), wk = 0.0021413 k( 156) = ( 0.1071429 -0.1071429 0.5000000), wk = 0.0021413 k( 157) = ( 0.1000000 -0.1000000 0.5000000), wk = 0.0021413 k( 158) = ( 0.0928571 -0.0928571 0.5000000), wk = 0.0021413 k( 159) = ( 0.0857143 -0.0857143 0.5000000), wk = 0.0021413 k( 160) = ( 0.0785714 -0.0785714 0.5000000), wk = 0.0021413 k( 161) = ( 0.0714286 -0.0714286 0.5000000), wk = 0.0021413 k( 162) = ( 0.0642857 -0.0642857 0.5000000), wk = 0.0021413 k( 163) = ( 0.0571429 -0.0571429 0.5000000), wk = 0.0021413 k( 164) = ( 0.0500000 -0.0500000 0.5000000), wk = 0.0021413 k( 165) = ( 0.0428571 -0.0428571 0.5000000), wk = 0.0021413 k( 166) = ( 0.0357143 -0.0357143 0.5000000), wk = 0.0021413 k( 167) = ( 0.0285714 -0.0285714 0.5000000), wk = 0.0021413 k( 168) = ( 0.0214286 -0.0214286 0.5000000), wk = 0.0021413 k( 169) = ( 0.0142857 -0.0142857 0.5000000), wk = 0.0021413 k( 170) = ( 0.0071429 -0.0071429 0.5000000), wk = 0.0021413 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021413 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021413 k( 173) = ( 0.0000000 0.0000000 0.4928571), wk = 0.0021413 k( 174) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0021413 k( 175) = ( 0.0000000 0.0000000 0.4785714), wk = 0.0021413 k( 176) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0021413 k( 177) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0021413 k( 178) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0021413 k( 179) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0021413 k( 180) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0021413 k( 181) = ( 0.0000000 0.0000000 0.4357143), wk = 0.0021413 k( 182) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0021413 k( 183) = ( 0.0000000 0.0000000 0.4214286), wk = 0.0021413 k( 184) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0021413 k( 185) = ( 0.0000000 0.0000000 0.4071429), wk = 0.0021413 k( 186) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021413 k( 187) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0021413 k( 188) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0021413 k( 189) = ( 0.0000000 0.0000000 0.3785714), wk = 0.0021413 k( 190) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0021413 k( 191) = ( 0.0000000 0.0000000 0.3642857), wk = 0.0021413 k( 192) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0021413 k( 193) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0021413 k( 194) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0021413 k( 195) = ( 0.0000000 0.0000000 0.3357143), wk = 0.0021413 k( 196) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0021413 k( 197) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0021413 k( 198) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0021413 k( 199) = ( 0.0000000 0.0000000 0.3071429), wk = 0.0021413 k( 200) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021413 k( 201) = ( 0.0000000 0.0000000 0.2928571), wk = 0.0021413 k( 202) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0021413 k( 203) = ( 0.0000000 0.0000000 0.2785714), wk = 0.0021413 k( 204) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0021413 k( 205) = ( 0.0000000 0.0000000 0.2642857), wk = 0.0021413 k( 206) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0021413 k( 207) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021413 k( 208) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0021413 k( 209) = ( 0.0000000 0.0000000 0.2357143), wk = 0.0021413 k( 210) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0021413 k( 211) = ( 0.0000000 0.0000000 0.2214286), wk = 0.0021413 k( 212) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0021413 k( 213) = ( 0.0000000 0.0000000 0.2071429), wk = 0.0021413 k( 214) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021413 k( 215) = ( 0.0000000 0.0000000 0.1928571), wk = 0.0021413 k( 216) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0021413 k( 217) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0021413 k( 218) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0021413 k( 219) = ( 0.0000000 0.0000000 0.1642857), wk = 0.0021413 k( 220) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0021413 k( 221) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0021413 k( 222) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0021413 k( 223) = ( 0.0000000 0.0000000 0.1357143), wk = 0.0021413 k( 224) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0021413 k( 225) = ( 0.0000000 0.0000000 0.1214286), wk = 0.0021413 k( 226) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0021413 k( 227) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0021413 k( 228) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021413 k( 229) = ( 0.0000000 0.0000000 0.0928571), wk = 0.0021413 k( 230) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0021413 k( 231) = ( 0.0000000 0.0000000 0.0785714), wk = 0.0021413 k( 232) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0021413 k( 233) = ( 0.0000000 0.0000000 0.0642857), wk = 0.0021413 k( 234) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0021413 k( 235) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0021413 k( 236) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0021413 k( 237) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0021413 k( 238) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0021413 k( 239) = ( 0.0000000 0.0000000 0.0214286), wk = 0.0021413 k( 240) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0021413 k( 241) = ( 0.0000000 0.0000000 0.0071429), wk = 0.0021413 k( 242) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 244) = ( 0.0029070 0.0029070 0.0029070), wk = 0.0021413 k( 245) = ( 0.0058140 0.0058140 0.0058140), wk = 0.0021413 k( 246) = ( 0.0087209 0.0087209 0.0087209), wk = 0.0021413 k( 247) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0021413 k( 248) = ( 0.0145349 0.0145349 0.0145349), wk = 0.0021413 k( 249) = ( 0.0174419 0.0174419 0.0174419), wk = 0.0021413 k( 250) = ( 0.0203488 0.0203488 0.0203488), wk = 0.0021413 k( 251) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0021413 k( 252) = ( 0.0261628 0.0261628 0.0261628), wk = 0.0021413 k( 253) = ( 0.0290698 0.0290698 0.0290698), wk = 0.0021413 k( 254) = ( 0.0319767 0.0319767 0.0319767), wk = 0.0021413 k( 255) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0021413 k( 256) = ( 0.0377907 0.0377907 0.0377907), wk = 0.0021413 k( 257) = ( 0.0406977 0.0406977 0.0406977), wk = 0.0021413 k( 258) = ( 0.0436047 0.0436047 0.0436047), wk = 0.0021413 k( 259) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0021413 k( 260) = ( 0.0494186 0.0494186 0.0494186), wk = 0.0021413 k( 261) = ( 0.0523256 0.0523256 0.0523256), wk = 0.0021413 k( 262) = ( 0.0552326 0.0552326 0.0552326), wk = 0.0021413 k( 263) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0021413 k( 264) = ( 0.0610465 0.0610465 0.0610465), wk = 0.0021413 k( 265) = ( 0.0639535 0.0639535 0.0639535), wk = 0.0021413 k( 266) = ( 0.0668605 0.0668605 0.0668605), wk = 0.0021413 k( 267) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0021413 k( 268) = ( 0.0726744 0.0726744 0.0726744), wk = 0.0021413 k( 269) = ( 0.0755814 0.0755814 0.0755814), wk = 0.0021413 k( 270) = ( 0.0784884 0.0784884 0.0784884), wk = 0.0021413 k( 271) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0021413 k( 272) = ( 0.0843023 0.0843023 0.0843023), wk = 0.0021413 k( 273) = ( 0.0872093 0.0872093 0.0872093), wk = 0.0021413 k( 274) = ( 0.0901163 0.0901163 0.0901163), wk = 0.0021413 k( 275) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0021413 k( 276) = ( 0.0959302 0.0959302 0.0959302), wk = 0.0021413 k( 277) = ( 0.0988372 0.0988372 0.0988372), wk = 0.0021413 k( 278) = ( 0.1017442 0.1017442 0.1017442), wk = 0.0021413 k( 279) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0021413 k( 280) = ( 0.1075581 0.1075581 0.1075581), wk = 0.0021413 k( 281) = ( 0.1104651 0.1104651 0.1104651), wk = 0.0021413 k( 282) = ( 0.1133721 0.1133721 0.1133721), wk = 0.0021413 k( 283) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0021413 k( 284) = ( 0.1191861 0.1191861 0.1191861), wk = 0.0021413 k( 285) = ( 0.1220930 0.1220930 0.1220930), wk = 0.0021413 k( 286) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0021413 k( 287) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0021413 k( 288) = ( 0.1308140 0.1308140 0.1308140), wk = 0.0021413 k( 289) = ( 0.1337209 0.1337209 0.1337209), wk = 0.0021413 k( 290) = ( 0.1366279 0.1366279 0.1366279), wk = 0.0021413 k( 291) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0021413 k( 292) = ( 0.1424419 0.1424419 0.1424419), wk = 0.0021413 k( 293) = ( 0.1453488 0.1453488 0.1453488), wk = 0.0021413 k( 294) = ( 0.1482558 0.1482558 0.1482558), wk = 0.0021413 k( 295) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0021413 k( 296) = ( 0.1540698 0.1540698 0.1540698), wk = 0.0021413 k( 297) = ( 0.1569767 0.1569767 0.1569767), wk = 0.0021413 k( 298) = ( 0.1598837 0.1598837 0.1598837), wk = 0.0021413 k( 299) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0021413 k( 300) = ( 0.1656977 0.1656977 0.1656977), wk = 0.0021413 k( 301) = ( 0.1686046 0.1686047 0.1686046), wk = 0.0021413 k( 302) = ( 0.1715116 0.1715116 0.1715116), wk = 0.0021413 k( 303) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0021413 k( 304) = ( 0.1773256 0.1773256 0.1773256), wk = 0.0021413 k( 305) = ( 0.1802326 0.1802326 0.1802326), wk = 0.0021413 k( 306) = ( 0.1831395 0.1831395 0.1831395), wk = 0.0021413 k( 307) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0021413 k( 308) = ( 0.1889535 0.1889535 0.1889535), wk = 0.0021413 k( 309) = ( 0.1918605 0.1918605 0.1918605), wk = 0.0021413 k( 310) = ( 0.1947674 0.1947674 0.1947674), wk = 0.0021413 k( 311) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0021413 k( 312) = ( 0.2005814 0.2005814 0.2005814), wk = 0.0021413 k( 313) = ( 0.2034884 0.2034884 0.2034884), wk = 0.0021413 k( 314) = ( 0.2063954 0.2063953 0.2063954), wk = 0.0021413 k( 315) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0021413 k( 316) = ( 0.2122093 0.2122093 0.2122093), wk = 0.0021413 k( 317) = ( 0.2151163 0.2151163 0.2151163), wk = 0.0021413 k( 318) = ( 0.2180233 0.2180233 0.2180233), wk = 0.0021413 k( 319) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0021413 k( 320) = ( 0.2238372 0.2238372 0.2238372), wk = 0.0021413 k( 321) = ( 0.2267442 0.2267442 0.2267442), wk = 0.0021413 k( 322) = ( 0.2296512 0.2296512 0.2296512), wk = 0.0021413 k( 323) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0021413 k( 324) = ( 0.2354651 0.2354651 0.2354651), wk = 0.0021413 k( 325) = ( 0.2383721 0.2383721 0.2383721), wk = 0.0021413 k( 326) = ( 0.2412791 0.2412791 0.2412791), wk = 0.0021413 k( 327) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0021413 k( 328) = ( 0.2470930 0.2470930 0.2470930), wk = 0.0021413 k( 329) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021413 k( 330) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021413 k( 331) = ( 0.2529070 0.2412791 0.2529070), wk = 0.0021413 k( 332) = ( 0.2558140 0.2325581 0.2558140), wk = 0.0021413 k( 333) = ( 0.2587209 0.2238372 0.2587209), wk = 0.0021413 k( 334) = ( 0.2616279 0.2151163 0.2616279), wk = 0.0021413 k( 335) = ( 0.2645349 0.2063953 0.2645349), wk = 0.0021413 k( 336) = ( 0.2674419 0.1976744 0.2674419), wk = 0.0021413 k( 337) = ( 0.2703488 0.1889535 0.2703488), wk = 0.0021413 k( 338) = ( 0.2732558 0.1802326 0.2732558), wk = 0.0021413 k( 339) = ( 0.2761628 0.1715116 0.2761628), wk = 0.0021413 k( 340) = ( 0.2790698 0.1627907 0.2790698), wk = 0.0021413 k( 341) = ( 0.2819767 0.1540698 0.2819767), wk = 0.0021413 k( 342) = ( 0.2848837 0.1453488 0.2848837), wk = 0.0021413 k( 343) = ( 0.2877907 0.1366279 0.2877907), wk = 0.0021413 k( 344) = ( 0.2906977 0.1279070 0.2906977), wk = 0.0021413 k( 345) = ( 0.2936047 0.1191861 0.2936047), wk = 0.0021413 k( 346) = ( 0.2965116 0.1104651 0.2965116), wk = 0.0021413 k( 347) = ( 0.2994186 0.1017442 0.2994186), wk = 0.0021413 k( 348) = ( 0.3023256 0.0930233 0.3023256), wk = 0.0021413 k( 349) = ( 0.3052326 0.0843023 0.3052326), wk = 0.0021413 k( 350) = ( 0.3081395 0.0755814 0.3081395), wk = 0.0021413 k( 351) = ( 0.3110465 0.0668605 0.3110465), wk = 0.0021413 k( 352) = ( 0.3139535 0.0581395 0.3139535), wk = 0.0021413 k( 353) = ( 0.3168605 0.0494186 0.3168605), wk = 0.0021413 k( 354) = ( 0.3197674 0.0406977 0.3197674), wk = 0.0021413 k( 355) = ( 0.3226744 0.0319767 0.3226744), wk = 0.0021413 k( 356) = ( 0.3255814 0.0232558 0.3255814), wk = 0.0021413 k( 357) = ( 0.3284884 0.0145349 0.3284884), wk = 0.0021413 k( 358) = ( 0.3313953 0.0058140 0.3313953), wk = 0.0021413 k( 359) = ( 0.3343023 -0.0029070 0.3343023), wk = 0.0021413 k( 360) = ( 0.3372093 -0.0116279 0.3372093), wk = 0.0021413 k( 361) = ( 0.3401163 -0.0203488 0.3401163), wk = 0.0021413 k( 362) = ( 0.3430233 -0.0290698 0.3430233), wk = 0.0021413 k( 363) = ( 0.3459302 -0.0377907 0.3459302), wk = 0.0021413 k( 364) = ( 0.3488372 -0.0465116 0.3488372), wk = 0.0021413 k( 365) = ( 0.3517442 -0.0552326 0.3517442), wk = 0.0021413 k( 366) = ( 0.3546512 -0.0639535 0.3546512), wk = 0.0021413 k( 367) = ( 0.3575581 -0.0726744 0.3575581), wk = 0.0021413 k( 368) = ( 0.3604651 -0.0813954 0.3604651), wk = 0.0021413 k( 369) = ( 0.3633721 -0.0901163 0.3633721), wk = 0.0021413 k( 370) = ( 0.3662791 -0.0988372 0.3662791), wk = 0.0021413 k( 371) = ( 0.3691860 -0.1075581 0.3691860), wk = 0.0021413 k( 372) = ( 0.3720930 -0.1162791 0.3720930), wk = 0.0021413 k( 373) = ( 0.3750000 -0.1250000 0.3750000), wk = 0.0021413 k( 374) = ( 0.3779070 -0.1337209 0.3779070), wk = 0.0021413 k( 375) = ( 0.3808140 -0.1424419 0.3808140), wk = 0.0021413 k( 376) = ( 0.3837209 -0.1511628 0.3837209), wk = 0.0021413 k( 377) = ( 0.3866279 -0.1598837 0.3866279), wk = 0.0021413 k( 378) = ( 0.3895349 -0.1686046 0.3895349), wk = 0.0021413 k( 379) = ( 0.3924419 -0.1773256 0.3924419), wk = 0.0021413 k( 380) = ( 0.3953488 -0.1860465 0.3953488), wk = 0.0021413 k( 381) = ( 0.3982558 -0.1947674 0.3982558), wk = 0.0021413 k( 382) = ( 0.4011628 -0.2034884 0.4011628), wk = 0.0021413 k( 383) = ( 0.4040698 -0.2122093 0.4040698), wk = 0.0021413 k( 384) = ( 0.4069767 -0.2209302 0.4069767), wk = 0.0021413 k( 385) = ( 0.4098837 -0.2296512 0.4098837), wk = 0.0021413 k( 386) = ( 0.4127907 -0.2383721 0.4127907), wk = 0.0021413 k( 387) = ( 0.4156977 -0.2470930 0.4156977), wk = 0.0021413 k( 388) = ( 0.4186047 -0.2558140 0.4186047), wk = 0.0021413 k( 389) = ( 0.4215116 -0.2645349 0.4215116), wk = 0.0021413 k( 390) = ( 0.4244186 -0.2732558 0.4244186), wk = 0.0021413 k( 391) = ( 0.4273256 -0.2819767 0.4273256), wk = 0.0021413 k( 392) = ( 0.4302326 -0.2906977 0.4302326), wk = 0.0021413 k( 393) = ( 0.4331395 -0.2994186 0.4331395), wk = 0.0021413 k( 394) = ( 0.4360465 -0.3081395 0.4360465), wk = 0.0021413 k( 395) = ( 0.4389535 -0.3168605 0.4389535), wk = 0.0021413 k( 396) = ( 0.4418605 -0.3255814 0.4418605), wk = 0.0021413 k( 397) = ( 0.4447674 -0.3343023 0.4447674), wk = 0.0021413 k( 398) = ( 0.4476744 -0.3430233 0.4476744), wk = 0.0021413 k( 399) = ( 0.4505814 -0.3517442 0.4505814), wk = 0.0021413 k( 400) = ( 0.4534884 -0.3604651 0.4534884), wk = 0.0021413 k( 401) = ( 0.4563953 -0.3691860 0.4563954), wk = 0.0021413 k( 402) = ( 0.4593023 -0.3779070 0.4593023), wk = 0.0021413 k( 403) = ( 0.4622093 -0.3866279 0.4622093), wk = 0.0021413 k( 404) = ( 0.4651163 -0.3953488 0.4651163), wk = 0.0021413 k( 405) = ( 0.4680233 -0.4040698 0.4680233), wk = 0.0021413 k( 406) = ( 0.4709302 -0.4127907 0.4709302), wk = 0.0021413 k( 407) = ( 0.4738372 -0.4215116 0.4738372), wk = 0.0021413 k( 408) = ( 0.4767442 -0.4302326 0.4767442), wk = 0.0021413 k( 409) = ( 0.4796512 -0.4389535 0.4796512), wk = 0.0021413 k( 410) = ( 0.4825581 -0.4476744 0.4825581), wk = 0.0021413 k( 411) = ( 0.4854651 -0.4563953 0.4854651), wk = 0.0021413 k( 412) = ( 0.4883721 -0.4651163 0.4883721), wk = 0.0021413 k( 413) = ( 0.4912791 -0.4738372 0.4912791), wk = 0.0021413 k( 414) = ( 0.4941860 -0.4825581 0.4941860), wk = 0.0021413 k( 415) = ( 0.4970930 -0.4912791 0.4970930), wk = 0.0021413 k( 416) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0021413 k( 417) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021413 k( 418) = ( 0.2450000 0.2450000 0.2550000), wk = 0.0021413 k( 419) = ( 0.2400000 0.2400000 0.2600000), wk = 0.0021413 k( 420) = ( 0.2350000 0.2350000 0.2650000), wk = 0.0021413 k( 421) = ( 0.2300000 0.2300000 0.2700000), wk = 0.0021413 k( 422) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0021413 k( 423) = ( 0.2200000 0.2200000 0.2800000), wk = 0.0021413 k( 424) = ( 0.2150000 0.2150000 0.2850000), wk = 0.0021413 k( 425) = ( 0.2100000 0.2100000 0.2900000), wk = 0.0021413 k( 426) = ( 0.2050000 0.2050000 0.2950000), wk = 0.0021413 k( 427) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0021413 k( 428) = ( 0.1950000 0.1950000 0.3050000), wk = 0.0021413 k( 429) = ( 0.1900000 0.1900000 0.3100000), wk = 0.0021413 k( 430) = ( 0.1850000 0.1850000 0.3150000), wk = 0.0021413 k( 431) = ( 0.1800000 0.1800000 0.3200000), wk = 0.0021413 k( 432) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0021413 k( 433) = ( 0.1700000 0.1700000 0.3300000), wk = 0.0021413 k( 434) = ( 0.1650000 0.1650000 0.3350000), wk = 0.0021413 k( 435) = ( 0.1600000 0.1600000 0.3400000), wk = 0.0021413 k( 436) = ( 0.1550000 0.1550000 0.3450000), wk = 0.0021413 k( 437) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0021413 k( 438) = ( 0.1450000 0.1450000 0.3550000), wk = 0.0021413 k( 439) = ( 0.1400000 0.1400000 0.3600000), wk = 0.0021413 k( 440) = ( 0.1350000 0.1350000 0.3650000), wk = 0.0021413 k( 441) = ( 0.1300000 0.1300000 0.3700000), wk = 0.0021413 k( 442) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0021413 k( 443) = ( 0.1200000 0.1200000 0.3800000), wk = 0.0021413 k( 444) = ( 0.1150000 0.1150000 0.3850000), wk = 0.0021413 k( 445) = ( 0.1100000 0.1100000 0.3900000), wk = 0.0021413 k( 446) = ( 0.1050000 0.1050000 0.3950000), wk = 0.0021413 k( 447) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0021413 k( 448) = ( 0.0950000 0.0950000 0.4050000), wk = 0.0021413 k( 449) = ( 0.0900000 0.0900000 0.4100000), wk = 0.0021413 k( 450) = ( 0.0850000 0.0850000 0.4150000), wk = 0.0021413 k( 451) = ( 0.0800000 0.0800000 0.4200000), wk = 0.0021413 k( 452) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0021413 k( 453) = ( 0.0700000 0.0700000 0.4300000), wk = 0.0021413 k( 454) = ( 0.0650000 0.0650000 0.4350000), wk = 0.0021413 k( 455) = ( 0.0600000 0.0600000 0.4400000), wk = 0.0021413 k( 456) = ( 0.0550000 0.0550000 0.4450000), wk = 0.0021413 k( 457) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0021413 k( 458) = ( 0.0450000 0.0450000 0.4550000), wk = 0.0021413 k( 459) = ( 0.0400000 0.0400000 0.4600000), wk = 0.0021413 k( 460) = ( 0.0350000 0.0350000 0.4650000), wk = 0.0021413 k( 461) = ( 0.0300000 0.0300000 0.4700000), wk = 0.0021413 k( 462) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0021413 k( 463) = ( 0.0200000 0.0200000 0.4800000), wk = 0.0021413 k( 464) = ( 0.0150000 0.0150000 0.4850000), wk = 0.0021413 k( 465) = ( 0.0100000 0.0100000 0.4900000), wk = 0.0021413 k( 466) = ( 0.0050000 0.0050000 0.4950000), wk = 0.0021413 k( 467) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021413 Dense grid: 13451 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 6339 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 44, 22) NL pseudopotentials 0.01 Mb ( 22, 34) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 375) G-vector shells 0.00 Mb ( 105) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 44, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.02 Mb ( 34, 2, 22) The potential is recalculated from file : ./W.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 4.8 secs Computing kpt #: 12 total cpu time spent up to now is 4.9 secs Computing kpt #: 13 total cpu time spent up to now is 5.0 secs Computing kpt #: 14 total cpu time spent up to now is 5.1 secs Computing kpt #: 15 total cpu time spent up to now is 5.2 secs Computing kpt #: 16 total cpu time spent up to now is 5.3 secs Computing kpt #: 17 total cpu time spent up to now is 5.4 secs Computing kpt #: 18 total cpu time spent up to now is 5.5 secs Computing kpt #: 19 total cpu time spent up to now is 5.6 secs Computing kpt #: 20 total cpu time spent up to now is 5.7 secs Computing kpt #: 21 total cpu time spent up to now is 5.8 secs Computing kpt #: 22 total cpu time spent up to now is 5.9 secs Computing kpt #: 23 total cpu time spent up to now is 6.0 secs Computing kpt #: 24 total cpu time spent up to now is 6.1 secs Computing kpt #: 25 total cpu time spent up to now is 6.2 secs Computing kpt #: 26 total cpu time spent up to now is 6.3 secs Computing kpt #: 27 total cpu time spent up to now is 6.4 secs Computing kpt #: 28 total cpu time spent up to now is 6.5 secs Computing kpt #: 29 total cpu time spent up to now is 6.6 secs Computing kpt #: 30 total cpu time spent up to now is 6.7 secs Computing kpt #: 31 total cpu time spent up to now is 6.8 secs Computing kpt #: 32 total cpu time spent up to now is 6.9 secs Computing kpt #: 33 total cpu time spent up to now is 7.0 secs Computing kpt #: 34 total cpu time spent up to now is 7.1 secs Computing kpt #: 35 total cpu time spent up to now is 7.2 secs Computing kpt #: 36 total cpu time spent up to now is 7.3 secs Computing kpt #: 37 total cpu time spent up to now is 7.3 secs Computing kpt #: 38 total cpu time spent up to now is 7.4 secs Computing kpt #: 39 total cpu time spent up to now is 7.5 secs Computing kpt #: 40 total cpu time spent up to now is 7.5 secs Computing kpt #: 41 total cpu time spent up to now is 7.6 secs Computing kpt #: 42 total cpu time spent up to now is 7.7 secs Computing kpt #: 43 total cpu time spent up to now is 7.7 secs Computing kpt #: 44 total cpu time spent up to now is 7.8 secs Computing kpt #: 45 total cpu time spent up to now is 7.9 secs Computing kpt #: 46 total cpu time spent up to now is 7.9 secs Computing kpt #: 47 total cpu time spent up to now is 8.0 secs Computing kpt #: 48 total cpu time spent up to now is 8.1 secs Computing kpt #: 49 total cpu time spent up to now is 8.2 secs Computing kpt #: 50 total cpu time spent up to now is 8.2 secs Computing kpt #: 51 total cpu time spent up to now is 8.3 secs Computing kpt #: 52 total cpu time spent up to now is 8.4 secs Computing kpt #: 53 total cpu time spent up to now is 8.5 secs Computing kpt #: 54 total cpu time spent up to now is 8.5 secs Computing kpt #: 55 total cpu time spent up to now is 8.6 secs Computing kpt #: 56 total cpu time spent up to now is 8.7 secs Computing kpt #: 57 total cpu time spent up to now is 8.8 secs Computing kpt #: 58 total cpu time spent up to now is 8.8 secs Computing kpt #: 59 total cpu time spent up to now is 8.9 secs Computing kpt #: 60 total cpu time spent up to now is 9.0 secs Computing kpt #: 61 total cpu time spent up to now is 9.1 secs Computing kpt #: 62 total cpu time spent up to now is 9.2 secs Computing kpt #: 63 total cpu time spent up to now is 9.3 secs Computing kpt #: 64 total cpu time spent up to now is 9.3 secs Computing kpt #: 65 total cpu time spent up to now is 9.4 secs Computing kpt #: 66 total cpu time spent up to now is 9.5 secs Computing kpt #: 67 total cpu time spent up to now is 9.6 secs Computing kpt #: 68 total cpu time spent up to now is 9.7 secs Computing kpt #: 69 total cpu time spent up to now is 9.7 secs Computing kpt #: 70 total cpu time spent up to now is 9.8 secs Computing kpt #: 71 total cpu time spent up to now is 9.9 secs Computing kpt #: 72 total cpu time spent up to now is 10.0 secs Computing kpt #: 73 total cpu time spent up to now is 10.0 secs Computing kpt #: 74 total cpu time spent up to now is 10.1 secs Computing kpt #: 75 total cpu time spent up to now is 10.2 secs Computing kpt #: 76 total cpu time spent up to now is 10.3 secs Computing kpt #: 77 total cpu time spent up to now is 10.3 secs Computing kpt #: 78 total cpu time spent up to now is 10.4 secs Computing kpt #: 79 total cpu time spent up to now is 10.5 secs Computing kpt #: 80 total cpu time spent up to now is 10.6 secs Computing kpt #: 81 total cpu time spent up to now is 10.6 secs Computing kpt #: 82 total cpu time spent up to now is 10.7 secs Computing kpt #: 83 total cpu time spent up to now is 10.8 secs Computing kpt #: 84 total cpu time spent up to now is 10.8 secs Computing kpt #: 85 total cpu time spent up to now is 10.9 secs Computing kpt #: 86 total cpu time spent up to now is 11.0 secs Computing kpt #: 87 total cpu time spent up to now is 11.0 secs Computing kpt #: 88 total cpu time spent up to now is 11.1 secs Computing kpt #: 89 total cpu time spent up to now is 11.2 secs Computing kpt #: 90 total cpu time spent up to now is 11.2 secs Computing kpt #: 91 total cpu time spent up to now is 11.3 secs Computing kpt #: 92 total cpu time spent up to now is 11.4 secs Computing kpt #: 93 total cpu time spent up to now is 11.5 secs Computing kpt #: 94 total cpu time spent up to now is 11.5 secs Computing kpt #: 95 total cpu time spent up to now is 11.6 secs Computing kpt #: 96 total cpu time spent up to now is 11.7 secs Computing kpt #: 97 total cpu time spent up to now is 11.8 secs Computing kpt #: 98 total cpu time spent up to now is 11.8 secs Computing kpt #: 99 total cpu time spent up to now is 11.9 secs Computing kpt #: 100 total cpu time spent up to now is 12.0 secs Computing kpt #: 101 total cpu time spent up to now is 12.0 secs Computing kpt #: 102 total cpu time spent up to now is 12.1 secs Computing kpt #: 103 total cpu time spent up to now is 12.2 secs Computing kpt #: 104 total cpu time spent up to now is 12.3 secs Computing kpt #: 105 total cpu time spent up to now is 12.4 secs Computing kpt #: 106 total cpu time spent up to now is 12.4 secs Computing kpt #: 107 total cpu time spent up to now is 12.5 secs Computing kpt #: 108 total cpu time spent up to now is 12.6 secs Computing kpt #: 109 total cpu time spent up to now is 12.7 secs Computing kpt #: 110 total cpu time spent up to now is 12.8 secs Computing kpt #: 111 total cpu time spent up to now is 12.8 secs Computing kpt #: 112 total cpu time spent up to now is 12.9 secs Computing kpt #: 113 total cpu time spent up to now is 13.0 secs Computing kpt #: 114 total cpu time spent up to now is 13.1 secs Computing kpt #: 115 total cpu time spent up to now is 13.1 secs Computing kpt #: 116 total cpu time spent up to now is 13.2 secs Computing kpt #: 117 total cpu time spent up to now is 13.3 secs Computing kpt #: 118 total cpu time spent up to now is 13.3 secs Computing kpt #: 119 total cpu time spent up to now is 13.4 secs Computing kpt #: 120 total cpu time spent up to now is 13.5 secs Computing kpt #: 121 total cpu time spent up to now is 13.5 secs Computing kpt #: 122 total cpu time spent up to now is 13.6 secs Computing kpt #: 123 total cpu time spent up to now is 13.7 secs Computing kpt #: 124 total cpu time spent up to now is 13.7 secs Computing kpt #: 125 total cpu time spent up to now is 13.8 secs Computing kpt #: 126 total cpu time spent up to now is 13.9 secs Computing kpt #: 127 total cpu time spent up to now is 13.9 secs Computing kpt #: 128 total cpu time spent up to now is 14.0 secs Computing kpt #: 129 total cpu time spent up to now is 14.1 secs Computing kpt #: 130 total cpu time spent up to now is 14.1 secs Computing kpt #: 131 total cpu time spent up to now is 14.2 secs Computing kpt #: 132 total cpu time spent up to now is 14.3 secs Computing kpt #: 133 total cpu time spent up to now is 14.3 secs Computing kpt #: 134 total cpu time spent up to now is 14.4 secs Computing kpt #: 135 total cpu time spent up to now is 14.5 secs Computing kpt #: 136 total cpu time spent up to now is 14.5 secs Computing kpt #: 137 total cpu time spent up to now is 14.6 secs Computing kpt #: 138 total cpu time spent up to now is 14.7 secs Computing kpt #: 139 total cpu time spent up to now is 14.7 secs Computing kpt #: 140 total cpu time spent up to now is 14.8 secs Computing kpt #: 141 total cpu time spent up to now is 14.9 secs Computing kpt #: 142 total cpu time spent up to now is 15.1 secs Computing kpt #: 143 total cpu time spent up to now is 15.1 secs Computing kpt #: 144 total cpu time spent up to now is 15.2 secs Computing kpt #: 145 total cpu time spent up to now is 15.3 secs Computing kpt #: 146 total cpu time spent up to now is 15.3 secs Computing kpt #: 147 total cpu time spent up to now is 15.4 secs Computing kpt #: 148 total cpu time spent up to now is 15.5 secs Computing kpt #: 149 total cpu time spent up to now is 15.5 secs Computing kpt #: 150 total cpu time spent up to now is 15.6 secs Computing kpt #: 151 total cpu time spent up to now is 15.6 secs Computing kpt #: 152 total cpu time spent up to now is 15.7 secs Computing kpt #: 153 total cpu time spent up to now is 15.8 secs Computing kpt #: 154 total cpu time spent up to now is 15.8 secs Computing kpt #: 155 total cpu time spent up to now is 15.9 secs Computing kpt #: 156 total cpu time spent up to now is 16.0 secs Computing kpt #: 157 total cpu time spent up to now is 16.0 secs Computing kpt #: 158 total cpu time spent up to now is 16.1 secs Computing kpt #: 159 total cpu time spent up to now is 16.2 secs Computing kpt #: 160 total cpu time spent up to now is 16.2 secs Computing kpt #: 161 total cpu time spent up to now is 16.3 secs Computing kpt #: 162 total cpu time spent up to now is 16.4 secs Computing kpt #: 163 total cpu time spent up to now is 16.4 secs Computing kpt #: 164 total cpu time spent up to now is 16.5 secs Computing kpt #: 165 total cpu time spent up to now is 16.6 secs Computing kpt #: 166 total cpu time spent up to now is 16.6 secs Computing kpt #: 167 total cpu time spent up to now is 16.7 secs Computing kpt #: 168 total cpu time spent up to now is 16.8 secs Computing kpt #: 169 total cpu time spent up to now is 16.9 secs Computing kpt #: 170 total cpu time spent up to now is 16.9 secs Computing kpt #: 171 total cpu time spent up to now is 17.0 secs Computing kpt #: 172 total cpu time spent up to now is 17.0 secs Computing kpt #: 173 total cpu time spent up to now is 17.1 secs Computing kpt #: 174 total cpu time spent up to now is 17.2 secs Computing kpt #: 175 total cpu time spent up to now is 17.3 secs Computing kpt #: 176 total cpu time spent up to now is 17.3 secs Computing kpt #: 177 total cpu time spent up to now is 17.4 secs Computing kpt #: 178 total cpu time spent up to now is 17.5 secs Computing kpt #: 179 total cpu time spent up to now is 17.5 secs Computing kpt #: 180 total cpu time spent up to now is 17.6 secs Computing kpt #: 181 total cpu time spent up to now is 17.7 secs Computing kpt #: 182 total cpu time spent up to now is 17.8 secs Computing kpt #: 183 total cpu time spent up to now is 17.9 secs Computing kpt #: 184 total cpu time spent up to now is 17.9 secs Computing kpt #: 185 total cpu time spent up to now is 18.0 secs Computing kpt #: 186 total cpu time spent up to now is 18.1 secs Computing kpt #: 187 total cpu time spent up to now is 18.2 secs Computing kpt #: 188 total cpu time spent up to now is 18.2 secs Computing kpt #: 189 total cpu time spent up to now is 18.3 secs Computing kpt #: 190 total cpu time spent up to now is 18.4 secs Computing kpt #: 191 total cpu time spent up to now is 18.5 secs Computing kpt #: 192 total cpu time spent up to now is 18.6 secs Computing kpt #: 193 total cpu time spent up to now is 18.6 secs Computing kpt #: 194 total cpu time spent up to now is 18.7 secs Computing kpt #: 195 total cpu time spent up to now is 18.8 secs Computing kpt #: 196 total cpu time spent up to now is 18.9 secs Computing kpt #: 197 total cpu time spent up to now is 18.9 secs Computing kpt #: 198 total cpu time spent up to now is 19.0 secs Computing kpt #: 199 total cpu time spent up to now is 19.1 secs Computing kpt #: 200 total cpu time spent up to now is 19.2 secs Computing kpt #: 201 total cpu time spent up to now is 19.3 secs Computing kpt #: 202 total cpu time spent up to now is 19.3 secs Computing kpt #: 203 total cpu time spent up to now is 19.4 secs Computing kpt #: 204 total cpu time spent up to now is 19.5 secs Computing kpt #: 205 total cpu time spent up to now is 19.6 secs Computing kpt #: 206 total cpu time spent up to now is 19.6 secs Computing kpt #: 207 total cpu time spent up to now is 19.7 secs Computing kpt #: 208 total cpu time spent up to now is 19.8 secs Computing kpt #: 209 total cpu time spent up to now is 19.9 secs Computing kpt #: 210 total cpu time spent up to now is 20.0 secs Computing kpt #: 211 total cpu time spent up to now is 20.0 secs Computing kpt #: 212 total cpu time spent up to now is 20.1 secs Computing kpt #: 213 total cpu time spent up to now is 20.2 secs Computing kpt #: 214 total cpu time spent up to now is 20.3 secs Computing kpt #: 215 total cpu time spent up to now is 20.4 secs Computing kpt #: 216 total cpu time spent up to now is 20.5 secs Computing kpt #: 217 total cpu time spent up to now is 20.5 secs Computing kpt #: 218 total cpu time spent up to now is 20.6 secs Computing kpt #: 219 total cpu time spent up to now is 20.7 secs Computing kpt #: 220 total cpu time spent up to now is 20.8 secs Computing kpt #: 221 total cpu time spent up to now is 20.9 secs Computing kpt #: 222 total cpu time spent up to now is 21.0 secs Computing kpt #: 223 total cpu time spent up to now is 21.1 secs Computing kpt #: 224 total cpu time spent up to now is 21.2 secs Computing kpt #: 225 total cpu time spent up to now is 21.3 secs Computing kpt #: 226 total cpu time spent up to now is 21.3 secs Computing kpt #: 227 total cpu time spent up to now is 21.4 secs Computing kpt #: 228 total cpu time spent up to now is 21.5 secs Computing kpt #: 229 total cpu time spent up to now is 21.6 secs Computing kpt #: 230 total cpu time spent up to now is 21.7 secs Computing kpt #: 231 total cpu time spent up to now is 21.8 secs Computing kpt #: 232 total cpu time spent up to now is 21.9 secs Computing kpt #: 233 total cpu time spent up to now is 22.0 secs Computing kpt #: 234 total cpu time spent up to now is 22.1 secs Computing kpt #: 235 total cpu time spent up to now is 22.2 secs Computing kpt #: 236 total cpu time spent up to now is 22.3 secs Computing kpt #: 237 total cpu time spent up to now is 22.4 secs Computing kpt #: 238 total cpu time spent up to now is 22.5 secs Computing kpt #: 239 total cpu time spent up to now is 22.6 secs Computing kpt #: 240 total cpu time spent up to now is 22.7 secs Computing kpt #: 241 total cpu time spent up to now is 22.8 secs Computing kpt #: 242 total cpu time spent up to now is 22.9 secs Computing kpt #: 243 total cpu time spent up to now is 23.0 secs Computing kpt #: 244 total cpu time spent up to now is 23.1 secs Computing kpt #: 245 total cpu time spent up to now is 23.2 secs Computing kpt #: 246 total cpu time spent up to now is 23.3 secs Computing kpt #: 247 total cpu time spent up to now is 23.4 secs Computing kpt #: 248 total cpu time spent up to now is 23.5 secs Computing kpt #: 249 total cpu time spent up to now is 23.6 secs Computing kpt #: 250 total cpu time spent up to now is 23.7 secs Computing kpt #: 251 total cpu time spent up to now is 23.8 secs Computing kpt #: 252 total cpu time spent up to now is 23.9 secs Computing kpt #: 253 total cpu time spent up to now is 24.0 secs Computing kpt #: 254 total cpu time spent up to now is 24.1 secs Computing kpt #: 255 total cpu time spent up to now is 24.2 secs Computing kpt #: 256 total cpu time spent up to now is 24.3 secs Computing kpt #: 257 total cpu time spent up to now is 24.4 secs Computing kpt #: 258 total cpu time spent up to now is 24.5 secs Computing kpt #: 259 total cpu time spent up to now is 24.5 secs Computing kpt #: 260 total cpu time spent up to now is 24.6 secs Computing kpt #: 261 total cpu time spent up to now is 24.7 secs Computing kpt #: 262 total cpu time spent up to now is 24.8 secs Computing kpt #: 263 total cpu time spent up to now is 24.9 secs Computing kpt #: 264 total cpu time spent up to now is 25.0 secs Computing kpt #: 265 total cpu time spent up to now is 25.1 secs Computing kpt #: 266 total cpu time spent up to now is 25.2 secs Computing kpt #: 267 total cpu time spent up to now is 25.3 secs Computing kpt #: 268 total cpu time spent up to now is 25.4 secs Computing kpt #: 269 total cpu time spent up to now is 25.5 secs Computing kpt #: 270 total cpu time spent up to now is 25.6 secs Computing kpt #: 271 total cpu time spent up to now is 25.7 secs Computing kpt #: 272 total cpu time spent up to now is 25.8 secs Computing kpt #: 273 total cpu time spent up to now is 25.9 secs Computing kpt #: 274 total cpu time spent up to now is 26.0 secs Computing kpt #: 275 total cpu time spent up to now is 26.1 secs Computing kpt #: 276 total cpu time spent up to now is 26.2 secs Computing kpt #: 277 total cpu time spent up to now is 26.3 secs Computing kpt #: 278 total cpu time spent up to now is 26.4 secs Computing kpt #: 279 total cpu time spent up to now is 26.5 secs Computing kpt #: 280 total cpu time spent up to now is 26.6 secs Computing kpt #: 281 total cpu time spent up to now is 26.7 secs Computing kpt #: 282 total cpu time spent up to now is 26.8 secs Computing kpt #: 283 total cpu time spent up to now is 26.8 secs Computing kpt #: 284 total cpu time spent up to now is 26.9 secs Computing kpt #: 285 total cpu time spent up to now is 27.0 secs Computing kpt #: 286 total cpu time spent up to now is 27.1 secs Computing kpt #: 287 total cpu time spent up to now is 27.2 secs Computing kpt #: 288 total cpu time spent up to now is 27.3 secs Computing kpt #: 289 total cpu time spent up to now is 27.4 secs Computing kpt #: 290 total cpu time spent up to now is 27.5 secs Computing kpt #: 291 total cpu time spent up to now is 27.6 secs Computing kpt #: 292 total cpu time spent up to now is 27.6 secs Computing kpt #: 293 total cpu time spent up to now is 27.7 secs Computing kpt #: 294 total cpu time spent up to now is 27.8 secs Computing kpt #: 295 total cpu time spent up to now is 27.9 secs Computing kpt #: 296 total cpu time spent up to now is 27.9 secs Computing kpt #: 297 total cpu time spent up to now is 28.0 secs Computing kpt #: 298 total cpu time spent up to now is 28.1 secs Computing kpt #: 299 total cpu time spent up to now is 28.1 secs Computing kpt #: 300 total cpu time spent up to now is 28.2 secs Computing kpt #: 301 total cpu time spent up to now is 28.2 secs Computing kpt #: 302 total cpu time spent up to now is 28.3 secs Computing kpt #: 303 total cpu time spent up to now is 28.4 secs Computing kpt #: 304 total cpu time spent up to now is 28.4 secs Computing kpt #: 305 total cpu time spent up to now is 28.5 secs Computing kpt #: 306 total cpu time spent up to now is 28.5 secs Computing kpt #: 307 total cpu time spent up to now is 28.6 secs Computing kpt #: 308 total cpu time spent up to now is 28.7 secs Computing kpt #: 309 total cpu time spent up to now is 28.7 secs Computing kpt #: 310 total cpu time spent up to now is 28.8 secs Computing kpt #: 311 total cpu time spent up to now is 28.9 secs Computing kpt #: 312 total cpu time spent up to now is 28.9 secs Computing kpt #: 313 total cpu time spent up to now is 29.0 secs Computing kpt #: 314 total cpu time spent up to now is 29.0 secs Computing kpt #: 315 total cpu time spent up to now is 29.1 secs Computing kpt #: 316 total cpu time spent up to now is 29.2 secs Computing kpt #: 317 total cpu time spent up to now is 29.3 secs Computing kpt #: 318 total cpu time spent up to now is 29.3 secs Computing kpt #: 319 total cpu time spent up to now is 29.4 secs Computing kpt #: 320 total cpu time spent up to now is 29.5 secs Computing kpt #: 321 total cpu time spent up to now is 29.6 secs Computing kpt #: 322 total cpu time spent up to now is 29.6 secs Computing kpt #: 323 total cpu time spent up to now is 29.7 secs Computing kpt #: 324 total cpu time spent up to now is 29.8 secs Computing kpt #: 325 total cpu time spent up to now is 29.9 secs Computing kpt #: 326 total cpu time spent up to now is 30.5 secs Computing kpt #: 327 total cpu time spent up to now is 30.5 secs Computing kpt #: 328 total cpu time spent up to now is 30.6 secs Computing kpt #: 329 total cpu time spent up to now is 30.7 secs Computing kpt #: 330 total cpu time spent up to now is 30.7 secs Computing kpt #: 331 total cpu time spent up to now is 30.8 secs Computing kpt #: 332 total cpu time spent up to now is 30.9 secs Computing kpt #: 333 total cpu time spent up to now is 31.0 secs Computing kpt #: 334 total cpu time spent up to now is 31.1 secs Computing kpt #: 335 total cpu time spent up to now is 31.1 secs Computing kpt #: 336 total cpu time spent up to now is 31.2 secs Computing kpt #: 337 total cpu time spent up to now is 31.3 secs Computing kpt #: 338 total cpu time spent up to now is 31.4 secs Computing kpt #: 339 total cpu time spent up to now is 31.5 secs Computing kpt #: 340 total cpu time spent up to now is 31.6 secs Computing kpt #: 341 total cpu time spent up to now is 31.6 secs Computing kpt #: 342 total cpu time spent up to now is 31.7 secs Computing kpt #: 343 total cpu time spent up to now is 31.8 secs Computing kpt #: 344 total cpu time spent up to now is 31.9 secs Computing kpt #: 345 total cpu time spent up to now is 32.0 secs Computing kpt #: 346 total cpu time spent up to now is 32.1 secs Computing kpt #: 347 total cpu time spent up to now is 32.1 secs Computing kpt #: 348 total cpu time spent up to now is 32.2 secs Computing kpt #: 349 total cpu time spent up to now is 32.3 secs Computing kpt #: 350 total cpu time spent up to now is 32.4 secs Computing kpt #: 351 total cpu time spent up to now is 32.5 secs Computing kpt #: 352 total cpu time spent up to now is 32.5 secs Computing kpt #: 353 total cpu time spent up to now is 32.6 secs Computing kpt #: 354 total cpu time spent up to now is 32.7 secs Computing kpt #: 355 total cpu time spent up to now is 32.8 secs Computing kpt #: 356 total cpu time spent up to now is 32.8 secs Computing kpt #: 357 total cpu time spent up to now is 32.9 secs Computing kpt #: 358 total cpu time spent up to now is 33.0 secs Computing kpt #: 359 total cpu time spent up to now is 33.1 secs Computing kpt #: 360 total cpu time spent up to now is 33.1 secs Computing kpt #: 361 total cpu time spent up to now is 33.2 secs Computing kpt #: 362 total cpu time spent up to now is 33.3 secs Computing kpt #: 363 total cpu time spent up to now is 33.4 secs Computing kpt #: 364 total cpu time spent up to now is 33.4 secs Computing kpt #: 365 total cpu time spent up to now is 33.6 secs Computing kpt #: 366 total cpu time spent up to now is 33.6 secs Computing kpt #: 367 total cpu time spent up to now is 33.7 secs Computing kpt #: 368 total cpu time spent up to now is 33.8 secs Computing kpt #: 369 total cpu time spent up to now is 33.8 secs Computing kpt #: 370 total cpu time spent up to now is 33.9 secs Computing kpt #: 371 total cpu time spent up to now is 34.0 secs Computing kpt #: 372 total cpu time spent up to now is 34.0 secs Computing kpt #: 373 total cpu time spent up to now is 34.1 secs Computing kpt #: 374 total cpu time spent up to now is 34.2 secs Computing kpt #: 375 total cpu time spent up to now is 34.3 secs Computing kpt #: 376 total cpu time spent up to now is 34.3 secs Computing kpt #: 377 total cpu time spent up to now is 34.4 secs Computing kpt #: 378 total cpu time spent up to now is 34.5 secs Computing kpt #: 379 total cpu time spent up to now is 34.5 secs Computing kpt #: 380 total cpu time spent up to now is 34.6 secs Computing kpt #: 381 total cpu time spent up to now is 34.7 secs Computing kpt #: 382 total cpu time spent up to now is 34.7 secs Computing kpt #: 383 total cpu time spent up to now is 34.8 secs Computing kpt #: 384 total cpu time spent up to now is 34.9 secs Computing kpt #: 385 total cpu time spent up to now is 34.9 secs Computing kpt #: 386 total cpu time spent up to now is 35.0 secs Computing kpt #: 387 total cpu time spent up to now is 35.1 secs Computing kpt #: 388 total cpu time spent up to now is 35.1 secs Computing kpt #: 389 total cpu time spent up to now is 35.2 secs Computing kpt #: 390 total cpu time spent up to now is 35.3 secs Computing kpt #: 391 total cpu time spent up to now is 35.4 secs Computing kpt #: 392 total cpu time spent up to now is 35.4 secs Computing kpt #: 393 total cpu time spent up to now is 35.5 secs Computing kpt #: 394 total cpu time spent up to now is 35.6 secs Computing kpt #: 395 total cpu time spent up to now is 35.6 secs Computing kpt #: 396 total cpu time spent up to now is 35.7 secs Computing kpt #: 397 total cpu time spent up to now is 35.8 secs Computing kpt #: 398 total cpu time spent up to now is 35.9 secs Computing kpt #: 399 total cpu time spent up to now is 35.9 secs Computing kpt #: 400 total cpu time spent up to now is 36.0 secs Computing kpt #: 401 total cpu time spent up to now is 36.1 secs Computing kpt #: 402 total cpu time spent up to now is 36.1 secs Computing kpt #: 403 total cpu time spent up to now is 36.2 secs Computing kpt #: 404 total cpu time spent up to now is 36.3 secs Computing kpt #: 405 total cpu time spent up to now is 36.4 secs Computing kpt #: 406 total cpu time spent up to now is 36.4 secs Computing kpt #: 407 total cpu time spent up to now is 36.5 secs Computing kpt #: 408 total cpu time spent up to now is 36.6 secs Computing kpt #: 409 total cpu time spent up to now is 36.7 secs Computing kpt #: 410 total cpu time spent up to now is 36.8 secs Computing kpt #: 411 total cpu time spent up to now is 36.8 secs Computing kpt #: 412 total cpu time spent up to now is 36.9 secs Computing kpt #: 413 total cpu time spent up to now is 37.0 secs Computing kpt #: 414 total cpu time spent up to now is 37.1 secs Computing kpt #: 415 total cpu time spent up to now is 37.1 secs Computing kpt #: 416 total cpu time spent up to now is 37.2 secs Computing kpt #: 417 total cpu time spent up to now is 37.2 secs Computing kpt #: 418 total cpu time spent up to now is 37.3 secs Computing kpt #: 419 total cpu time spent up to now is 37.4 secs Computing kpt #: 420 total cpu time spent up to now is 37.5 secs Computing kpt #: 421 total cpu time spent up to now is 37.6 secs Computing kpt #: 422 total cpu time spent up to now is 37.7 secs Computing kpt #: 423 total cpu time spent up to now is 37.8 secs Computing kpt #: 424 total cpu time spent up to now is 37.8 secs Computing kpt #: 425 total cpu time spent up to now is 37.9 secs Computing kpt #: 426 total cpu time spent up to now is 38.0 secs Computing kpt #: 427 total cpu time spent up to now is 38.1 secs Computing kpt #: 428 total cpu time spent up to now is 38.1 secs Computing kpt #: 429 total cpu time spent up to now is 38.2 secs Computing kpt #: 430 total cpu time spent up to now is 38.3 secs Computing kpt #: 431 total cpu time spent up to now is 38.3 secs Computing kpt #: 432 total cpu time spent up to now is 38.4 secs Computing kpt #: 433 total cpu time spent up to now is 38.5 secs Computing kpt #: 434 total cpu time spent up to now is 38.6 secs Computing kpt #: 435 total cpu time spent up to now is 38.6 secs Computing kpt #: 436 total cpu time spent up to now is 38.7 secs Computing kpt #: 437 total cpu time spent up to now is 38.8 secs Computing kpt #: 438 total cpu time spent up to now is 38.8 secs Computing kpt #: 439 total cpu time spent up to now is 38.9 secs Computing kpt #: 440 total cpu time spent up to now is 39.0 secs Computing kpt #: 441 total cpu time spent up to now is 39.0 secs Computing kpt #: 442 total cpu time spent up to now is 39.1 secs Computing kpt #: 443 total cpu time spent up to now is 39.2 secs Computing kpt #: 444 total cpu time spent up to now is 39.2 secs Computing kpt #: 445 total cpu time spent up to now is 39.3 secs Computing kpt #: 446 total cpu time spent up to now is 39.4 secs Computing kpt #: 447 total cpu time spent up to now is 39.4 secs Computing kpt #: 448 total cpu time spent up to now is 39.5 secs Computing kpt #: 449 total cpu time spent up to now is 39.6 secs Computing kpt #: 450 total cpu time spent up to now is 39.6 secs Computing kpt #: 451 total cpu time spent up to now is 39.7 secs Computing kpt #: 452 total cpu time spent up to now is 39.8 secs Computing kpt #: 453 total cpu time spent up to now is 39.8 secs Computing kpt #: 454 total cpu time spent up to now is 39.9 secs Computing kpt #: 455 total cpu time spent up to now is 39.9 secs Computing kpt #: 456 total cpu time spent up to now is 40.0 secs Computing kpt #: 457 total cpu time spent up to now is 40.1 secs Computing kpt #: 458 total cpu time spent up to now is 40.2 secs Computing kpt #: 459 total cpu time spent up to now is 40.2 secs Computing kpt #: 460 total cpu time spent up to now is 40.3 secs Computing kpt #: 461 total cpu time spent up to now is 40.4 secs Computing kpt #: 462 total cpu time spent up to now is 40.4 secs Computing kpt #: 463 total cpu time spent up to now is 40.5 secs Computing kpt #: 464 total cpu time spent up to now is 40.6 secs Computing kpt #: 465 total cpu time spent up to now is 40.6 secs Computing kpt #: 466 total cpu time spent up to now is 40.7 secs Computing kpt #: 467 total cpu time spent up to now is 40.8 secs ethr = 7.14E-08, avg # of iterations = 12.5 total cpu time spent up to now is 40.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 767 PWs) bands (ev): -52.1005 -52.1005 -23.1044 -23.1044 -13.0380 -13.0380 -13.0380 -13.0380 12.4601 12.4601 20.5590 20.5590 20.5590 20.5590 21.0699 21.0699 24.1938 24.1938 24.1938 24.1938 36.1276 36.1276 k = 0.0051-0.0036 0.0062 ( 767 PWs) bands (ev): -52.1004 -52.1004 -23.1046 -23.1046 -13.0385 -13.0385 -13.0383 -13.0383 12.4625 12.4625 20.5587 20.5587 20.5596 20.5596 21.0701 21.0701 24.1900 24.1900 24.1951 24.1951 36.1317 36.1319 k = 0.0101-0.0071 0.0124 ( 767 PWs) bands (ev): -52.1003 -52.1003 -23.1051 -23.1051 -13.0399 -13.0399 -13.0390 -13.0390 12.4698 12.4698 20.5578 20.5578 20.5614 20.5614 21.0706 21.0706 24.1786 24.1786 24.1989 24.1989 36.1439 36.1443 k = 0.0152-0.0107 0.0186 ( 771 PWs) bands (ev): -52.1000 -52.1000 -23.1059 -23.1059 -13.0422 -13.0422 -13.0402 -13.0402 12.4818 12.4818 20.5563 20.5563 20.5644 20.5644 21.0716 21.0716 24.1596 24.1596 24.2051 24.2051 36.1646 36.1655 k = 0.0202-0.0143 0.0247 ( 775 PWs) bands (ev): -52.0996 -52.0996 -23.1071 -23.1071 -13.0454 -13.0454 -13.0420 -13.0420 12.4987 12.4987 20.5542 20.5542 20.5685 20.5685 21.0730 21.0730 24.1332 24.1332 24.2139 24.2139 36.1924 36.1925 k = 0.0253-0.0179 0.0309 ( 775 PWs) bands (ev): -52.0990 -52.0990 -23.1086 -23.1086 -13.0495 -13.0495 -13.0441 -13.0441 12.5203 12.5203 20.5515 20.5515 20.5738 20.5738 21.0750 21.0750 24.0995 24.0995 24.2251 24.2251 36.2286 36.2290 k = 0.0303-0.0214 0.0371 ( 775 PWs) bands (ev): -52.0984 -52.0984 -23.1104 -23.1104 -13.0544 -13.0544 -13.0468 -13.0468 12.5467 12.5467 20.5484 20.5484 20.5800 20.5800 21.0777 21.0777 24.0587 24.0587 24.2388 24.2388 36.2724 36.2724 k = 0.0354-0.0250 0.0433 ( 775 PWs) bands (ev): -52.0976 -52.0976 -23.1125 -23.1125 -13.0602 -13.0602 -13.0499 -13.0499 12.5778 12.5778 20.5448 20.5448 20.5871 20.5871 21.0811 21.0811 24.0110 24.0110 24.2548 24.2548 36.3237 36.3238 k = 0.0404-0.0286 0.0495 ( 775 PWs) bands (ev): -52.0967 -52.0967 -23.1149 -23.1149 -13.0669 -13.0669 -13.0535 -13.0535 12.6136 12.6136 20.5408 20.5408 20.5950 20.5950 21.0856 21.0856 23.9568 23.9568 24.2733 24.2733 36.3824 36.3825 k = 0.0455-0.0321 0.0557 ( 775 PWs) bands (ev): -52.0957 -52.0957 -23.1177 -23.1177 -13.0744 -13.0744 -13.0576 -13.0576 12.6541 12.6541 20.5365 20.5365 20.6036 20.6036 21.0912 21.0912 23.8962 23.8962 24.2940 24.2940 36.4481 36.4481 k = 0.0505-0.0357 0.0619 ( 775 PWs) bands (ev): -52.0946 -52.0946 -23.1207 -23.1207 -13.0827 -13.0827 -13.0622 -13.0622 12.6991 12.6991 20.5318 20.5318 20.6127 20.6127 21.0981 21.0981 23.8295 23.8295 24.3171 24.3171 36.5204 36.5205 k = 0.0556-0.0393 0.0680 ( 775 PWs) bands (ev): -52.0934 -52.0934 -23.1241 -23.1241 -13.0919 -13.0919 -13.0672 -13.0672 12.7486 12.7486 20.5270 20.5270 20.6222 20.6222 21.1066 21.1066 23.7572 23.7572 24.3423 24.3423 36.5991 36.5991 k = 0.0606-0.0429 0.0742 ( 771 PWs) bands (ev): -52.0920 -52.0920 -23.1277 -23.1277 -13.1017 -13.1017 -13.0727 -13.0727 12.8026 12.8026 20.5221 20.5221 20.6319 20.6319 21.1168 21.1168 23.6795 23.6795 24.3697 24.3697 36.6837 36.6837 k = 0.0657-0.0464 0.0804 ( 771 PWs) bands (ev): -52.0906 -52.0906 -23.1316 -23.1316 -13.1123 -13.1123 -13.0786 -13.0786 12.8609 12.8609 20.5171 20.5171 20.6417 20.6417 21.1291 21.1291 23.5968 23.5968 24.3991 24.3991 36.7740 36.7740 k = 0.0707-0.0500 0.0866 ( 771 PWs) bands (ev): -52.0890 -52.0890 -23.1359 -23.1359 -13.1237 -13.1237 -13.0850 -13.0850 12.9236 12.9236 20.5121 20.5121 20.6514 20.6514 21.1434 21.1434 23.5095 23.5095 24.4305 24.4305 36.8693 36.8693 k = 0.0758-0.0536 0.0928 ( 771 PWs) bands (ev): -52.0874 -52.0874 -23.1404 -23.1404 -13.1357 -13.1357 -13.0918 -13.0918 12.9904 12.9904 20.5073 20.5073 20.6609 20.6609 21.1601 21.1601 23.4179 23.4179 24.4637 24.4637 36.9695 36.9695 k = 0.0808-0.0571 0.0990 ( 771 PWs) bands (ev): -52.0856 -52.0856 -23.1452 -23.1452 -13.1484 -13.1484 -13.0991 -13.0991 13.0615 13.0615 20.5028 20.5028 20.6702 20.6702 21.1793 21.1793 23.3223 23.3223 24.4987 24.4987 37.0740 37.0740 k = 0.0859-0.0607 0.1052 ( 767 PWs) bands (ev): -52.0838 -52.0838 -23.1502 -23.1502 -13.1618 -13.1618 -13.1067 -13.1067 13.1365 13.1365 20.4986 20.4986 20.6793 20.6793 21.2009 21.2009 23.2233 23.2233 24.5353 24.5353 37.1825 37.1825 k = 0.0909-0.0643 0.1113 ( 767 PWs) bands (ev): -52.0818 -52.0818 -23.1555 -23.1555 -13.1757 -13.1757 -13.1148 -13.1148 13.2155 13.2155 20.4948 20.4948 20.6880 20.6880 21.2252 21.2252 23.1211 23.1211 24.5735 24.5735 37.2947 37.2947 k = 0.0960-0.0679 0.1175 ( 767 PWs) bands (ev): -52.0797 -52.0797 -23.1610 -23.1610 -13.1902 -13.1902 -13.1233 -13.1233 13.2983 13.2983 20.4915 20.4915 20.6964 20.6964 21.2519 21.2519 23.0162 23.0162 24.6130 24.6130 37.4100 37.4100 k = 0.1010-0.0714 0.1237 ( 771 PWs) bands (ev): -52.0776 -52.0776 -23.1668 -23.1668 -13.2053 -13.2053 -13.1323 -13.1323 13.3848 13.3848 20.4888 20.4888 20.7046 20.7046 21.2811 21.2811 22.9091 22.9091 24.6537 24.6537 37.5283 37.5283 k = 0.1061-0.0750 0.1299 ( 763 PWs) bands (ev): -52.0754 -52.0754 -23.1728 -23.1728 -13.2208 -13.2208 -13.1416 -13.1416 13.4749 13.4749 20.4870 20.4870 20.7126 20.7126 21.3126 21.3126 22.8001 22.8001 24.6955 24.6955 37.6491 37.6491 k = 0.1111-0.0786 0.1361 ( 763 PWs) bands (ev): -52.0730 -52.0730 -23.1790 -23.1790 -13.2368 -13.2368 -13.1513 -13.1513 13.5685 13.5685 20.4859 20.4859 20.7206 20.7206 21.3460 21.3460 22.6899 22.6899 24.7380 24.7380 37.7721 37.7721 k = 0.1162-0.0821 0.1423 ( 763 PWs) bands (ev): -52.0707 -52.0707 -23.1855 -23.1855 -13.2532 -13.2532 -13.1614 -13.1614 13.6654 13.6654 20.4858 20.4858 20.7286 20.7286 21.3811 21.3811 22.5791 22.5791 24.7813 24.7813 37.8970 37.8970 k = 0.1212-0.0857 0.1485 ( 771 PWs) bands (ev): -52.0682 -52.0682 -23.1922 -23.1922 -13.2701 -13.2701 -13.1720 -13.1720 13.7655 13.7655 20.4867 20.4867 20.7367 20.7367 21.4172 21.4172 22.4685 22.4685 24.8249 24.8249 38.0234 38.0234 k = 0.1263-0.0893 0.1546 ( 771 PWs) bands (ev): -52.0656 -52.0656 -23.1990 -23.1990 -13.2872 -13.2872 -13.1829 -13.1829 13.8687 13.8687 20.4887 20.4887 20.7449 20.7449 21.4533 21.4533 22.3595 22.3595 24.8688 24.8688 38.1513 38.1513 k = 0.1313-0.0929 0.1608 ( 771 PWs) bands (ev): -52.0630 -52.0630 -23.2061 -23.2061 -13.3047 -13.3047 -13.1941 -13.1941 13.9747 13.9747 20.4920 20.4920 20.7533 20.7533 21.4879 21.4879 22.2540 22.2540 24.9126 24.9126 38.2801 38.2801 k = 0.1364-0.0964 0.1670 ( 763 PWs) bands (ev): -52.0603 -52.0603 -23.2132 -23.2132 -13.3224 -13.3224 -13.2056 -13.2056 14.0835 14.0835 20.4967 20.4967 20.7617 20.7617 21.5179 21.5179 22.1553 22.1553 24.9561 24.9561 38.4098 38.4098 k = 0.1414-0.1000 0.1732 ( 763 PWs) bands (ev): -52.0575 -52.0575 -23.2205 -23.2205 -13.3404 -13.3404 -13.2175 -13.2175 14.1948 14.1948 20.5027 20.5027 20.7700 20.7700 21.5380 21.5380 22.0692 22.0692 24.9991 24.9991 38.5401 38.5401 k = 0.1465-0.1036 0.1794 ( 763 PWs) bands (ev): -52.0547 -52.0547 -23.2280 -23.2280 -13.3586 -13.3586 -13.2297 -13.2297 14.3085 14.3085 20.5103 20.5103 20.7777 20.7777 21.5393 21.5393 22.0052 22.0052 25.0411 25.0411 38.6707 38.6707 k = 0.1515-0.1071 0.1856 ( 763 PWs) bands (ev): -52.0518 -52.0518 -23.2357 -23.2357 -13.3769 -13.3769 -13.2422 -13.2422 14.4245 14.4245 20.5194 20.5194 20.7843 20.7843 21.5130 21.5130 21.9733 21.9733 25.0821 25.0821 38.5459 38.5459 k = 0.1566-0.1107 0.1918 ( 763 PWs) bands (ev): -52.0488 -52.0488 -23.2434 -23.2434 -13.3954 -13.3954 -13.2551 -13.2551 14.5424 14.5424 20.5303 20.5303 20.7886 20.7886 21.4591 21.4591 21.9746 21.9746 25.1215 25.1215 38.2922 38.2922 k = 0.1616-0.1143 0.1979 ( 763 PWs) bands (ev): -52.0458 -52.0458 -23.2513 -23.2513 -13.4140 -13.4140 -13.2682 -13.2682 14.6621 14.6621 20.5429 20.5429 20.7884 20.7884 21.3883 21.3883 22.0009 22.0009 25.1592 25.1592 38.0481 38.0481 k = 0.1667-0.1179 0.2041 ( 763 PWs) bands (ev): -52.0428 -52.0428 -23.2593 -23.2593 -13.4327 -13.4327 -13.2816 -13.2816 14.7834 14.7834 20.5574 20.5574 20.7803 20.7803 21.3135 21.3135 22.0428 22.0428 25.1948 25.1948 37.8150 37.8150 k = 0.1717-0.1214 0.2103 ( 763 PWs) bands (ev): -52.0397 -52.0397 -23.2674 -23.2674 -13.4514 -13.4514 -13.2952 -13.2952 14.9061 14.9061 20.5738 20.5738 20.7592 20.7592 21.2460 21.2460 22.0943 22.0943 25.2281 25.2281 37.5938 37.5938 k = 0.1768-0.1250 0.2165 ( 763 PWs) bands (ev): -52.0365 -52.0365 -23.2755 -23.2755 -13.4701 -13.4701 -13.3091 -13.3091 15.0299 15.0299 20.5922 20.5922 20.7195 20.7195 21.1949 21.1949 22.1524 22.1524 25.2587 25.2587 37.3851 37.3851 k = 0.1818-0.1286 0.2227 ( 763 PWs) bands (ev): -52.0334 -52.0334 -23.2838 -23.2838 -13.4888 -13.4888 -13.3233 -13.3233 15.1545 15.1545 20.6126 20.6126 20.6582 20.6582 21.1649 21.1649 22.2152 22.2152 25.2864 25.2864 37.1895 37.1895 k = 0.1869-0.1321 0.2289 ( 771 PWs) bands (ev): -52.0302 -52.0302 -23.2921 -23.2921 -13.5075 -13.5075 -13.3377 -13.3377 15.2798 15.2798 20.5780 20.5780 20.6352 20.6352 21.1547 21.1547 22.2816 22.2816 25.3109 25.3109 37.0075 37.0075 k = 0.1919-0.1357 0.2351 ( 771 PWs) bands (ev): -52.0269 -52.0269 -23.3005 -23.3005 -13.5260 -13.5260 -13.3522 -13.3522 15.4054 15.4054 20.4842 20.4842 20.6600 20.6600 21.1596 21.1596 22.3511 22.3511 25.3321 25.3321 36.8396 36.8396 k = 0.1970-0.1393 0.2412 ( 771 PWs) bands (ev): -52.0237 -52.0237 -23.3089 -23.3089 -13.5443 -13.5443 -13.3670 -13.3670 15.5310 15.5310 20.3818 20.3818 20.6870 20.6870 21.1754 21.1754 22.4232 22.4232 25.3498 25.3498 36.6862 36.6862 k = 0.2020-0.1428 0.2474 ( 771 PWs) bands (ev): -52.0204 -52.0204 -23.3173 -23.3173 -13.5626 -13.5626 -13.3819 -13.3819 15.6563 15.6563 20.2741 20.2741 20.7164 20.7164 21.1990 21.1990 22.4977 22.4977 25.3638 25.3638 36.5476 36.5476 k = 0.2071-0.1464 0.2536 ( 779 PWs) bands (ev): -52.0171 -52.0171 -23.3258 -23.3258 -13.5807 -13.5807 -13.3971 -13.3971 15.7810 15.7810 20.1633 20.1633 20.7481 20.7481 21.2285 21.2285 22.5743 22.5743 25.3743 25.3743 36.4241 36.4241 k = 0.2121-0.1500 0.2598 ( 779 PWs) bands (ev): -52.0137 -52.0137 -23.3342 -23.3342 -13.5985 -13.5985 -13.4124 -13.4124 15.9047 15.9047 20.0507 20.0507 20.7821 20.7821 21.2629 21.2629 22.6529 22.6529 25.3812 25.3812 36.3161 36.3161 k = 0.2172-0.1536 0.2660 ( 779 PWs) bands (ev): -52.0104 -52.0104 -23.3427 -23.3427 -13.6162 -13.6162 -13.4278 -13.4278 16.0271 16.0271 19.9374 19.9374 20.8187 20.8187 21.3015 21.3015 22.7333 22.7333 25.3846 25.3846 36.2237 36.2237 k = 0.2222-0.1571 0.2722 ( 775 PWs) bands (ev): -52.0070 -52.0070 -23.3511 -23.3511 -13.6335 -13.6335 -13.4432 -13.4432 16.1478 16.1478 19.8237 19.8237 20.8577 20.8577 21.3440 21.3440 22.8155 22.8155 25.3848 25.3848 36.1469 36.1469 k = 0.2273-0.1607 0.2784 ( 775 PWs) bands (ev): -52.0037 -52.0037 -23.3595 -23.3595 -13.6507 -13.6507 -13.4588 -13.4588 16.2664 16.2664 19.7103 19.7103 20.8992 20.8992 21.3899 21.3899 22.8993 22.8993 25.3821 25.3821 36.0857 36.0857 k = 0.2323-0.1643 0.2845 ( 767 PWs) bands (ev): -52.0003 -52.0003 -23.3678 -23.3678 -13.6674 -13.6674 -13.4745 -13.4745 16.3824 16.3824 19.5974 19.5974 20.9433 20.9433 21.4392 21.4392 22.9846 22.9846 25.3769 25.3769 36.0402 36.0402 k = 0.2374-0.1678 0.2907 ( 771 PWs) bands (ev): -51.9970 -51.9970 -23.3761 -23.3761 -13.6839 -13.6839 -13.4903 -13.4903 16.4954 16.4954 19.4853 19.4853 20.9900 20.9900 21.4917 21.4917 23.0714 23.0714 25.3697 25.3697 36.0099 36.0099 k = 0.2424-0.1714 0.2969 ( 771 PWs) bands (ev): -51.9936 -51.9936 -23.3844 -23.3844 -13.7001 -13.7001 -13.5061 -13.5061 16.6050 16.6050 19.3741 19.3741 21.0393 21.0393 21.5474 21.5474 23.1596 23.1596 25.3611 25.3611 35.9949 35.9949 k = 0.2475-0.1750 0.3031 ( 771 PWs) bands (ev): -51.9903 -51.9903 -23.3927 -23.3927 -13.7160 -13.7160 -13.5219 -13.5219 16.7107 16.7107 19.2640 19.2640 21.0912 21.0912 21.6062 21.6062 23.2491 23.2491 25.3517 25.3517 35.9945 35.9945 k = 0.2525-0.1786 0.3093 ( 771 PWs) bands (ev): -51.9869 -51.9869 -23.4008 -23.4008 -13.7315 -13.7315 -13.5378 -13.5378 16.8121 16.8121 19.1551 19.1551 21.1458 21.1458 21.6681 21.6681 23.3398 23.3398 25.3424 25.3424 36.0084 36.0084 k = 0.2576-0.1821 0.3155 ( 771 PWs) bands (ev): -51.9836 -51.9836 -23.4089 -23.4089 -13.7466 -13.7466 -13.5537 -13.5537 16.9085 16.9085 19.0476 19.0476 21.2031 21.2031 21.7330 21.7330 23.4317 23.4317 25.3340 25.3340 36.0362 36.0362 k = 0.2626-0.1857 0.3217 ( 771 PWs) bands (ev): -51.9803 -51.9803 -23.4169 -23.4169 -13.7613 -13.7613 -13.5696 -13.5696 16.9996 16.9996 18.9415 18.9415 21.2630 21.2630 21.8011 21.8011 23.5246 23.5246 25.3271 25.3271 36.0770 36.0770 k = 0.2677-0.1893 0.3278 ( 771 PWs) bands (ev): -51.9771 -51.9771 -23.4248 -23.4248 -13.7757 -13.7757 -13.5854 -13.5854 17.0848 17.0848 18.8370 18.8370 21.3257 21.3257 21.8721 21.8721 23.6185 23.6185 25.3228 25.3228 36.1303 36.1303 k = 0.2727-0.1928 0.3340 ( 771 PWs) bands (ev): -51.9738 -51.9738 -23.4327 -23.4327 -13.7896 -13.7896 -13.6012 -13.6012 17.1637 17.1637 18.7341 18.7341 21.3912 21.3912 21.9463 21.9463 23.7133 23.7133 25.3219 25.3219 36.1951 36.1951 k = 0.2778-0.1964 0.3402 ( 771 PWs) bands (ev): -51.9706 -51.9706 -23.4404 -23.4404 -13.8031 -13.8031 -13.6169 -13.6169 17.2360 17.2360 18.6328 18.6328 21.4595 21.4595 22.0234 22.0234 23.8090 23.8090 25.3252 25.3252 36.2705 36.2705 k = 0.2828-0.2000 0.3464 ( 771 PWs) bands (ev): -51.9674 -51.9674 -23.4480 -23.4480 -13.8162 -13.8162 -13.6326 -13.6326 17.3011 17.3011 18.5333 18.5333 21.5305 21.5305 22.1036 22.1036 23.9054 23.9054 25.3336 25.3336 36.3552 36.3552 k = 0.2879-0.2036 0.3526 ( 771 PWs) bands (ev): -51.9643 -51.9643 -23.4555 -23.4555 -13.8289 -13.8289 -13.6482 -13.6482 17.3588 17.3588 18.4356 18.4356 21.6045 21.6045 22.1868 22.1868 24.0025 24.0025 25.3478 25.3478 36.4475 36.4475 k = 0.2929-0.2071 0.3588 ( 779 PWs) bands (ev): -51.9612 -51.9612 -23.4629 -23.4629 -13.8412 -13.8412 -13.6637 -13.6637 17.4087 17.4087 18.3396 18.3396 21.6813 21.6813 22.2730 22.2730 24.1001 24.1001 25.3685 25.3685 36.5445 36.5445 k = 0.2980-0.2107 0.3649 ( 779 PWs) bands (ev): -51.9581 -51.9581 -23.4702 -23.4702 -13.8530 -13.8530 -13.6791 -13.6791 17.4507 17.4507 18.2456 18.2456 21.7610 21.7610 22.3623 22.3623 24.1983 24.1983 25.3963 25.3963 36.6411 36.6411 k = 0.3030-0.2143 0.3711 ( 779 PWs) bands (ev): -51.9551 -51.9551 -23.4773 -23.4773 -13.8644 -13.8644 -13.6943 -13.6943 17.4847 17.4847 18.1535 18.1535 21.8437 21.8437 22.4545 22.4545 24.2968 24.2968 25.4318 25.4318 36.7254 36.7254 k = 0.3081-0.2178 0.3773 ( 775 PWs) bands (ev): -51.9521 -51.9521 -23.4842 -23.4842 -13.8752 -13.8752 -13.7093 -13.7093 17.5106 17.5106 18.0634 18.0634 21.9293 21.9293 22.5497 22.5497 24.3956 24.3956 25.4752 25.4752 36.7676 36.7676 k = 0.3131-0.2214 0.3835 ( 775 PWs) bands (ev): -51.9492 -51.9492 -23.4910 -23.4910 -13.8858 -13.8858 -13.7242 -13.7242 17.5285 17.5285 17.9753 17.9753 22.0180 22.0180 22.6478 22.6478 24.4946 24.4946 25.5269 25.5269 36.7140 36.7140 k = 0.3182-0.2250 0.3897 ( 775 PWs) bands (ev): -51.9463 -51.9463 -23.4977 -23.4977 -13.8958 -13.8958 -13.7389 -13.7389 17.5384 17.5384 17.8892 17.8892 22.1098 22.1098 22.7489 22.7489 24.5937 24.5937 25.5871 25.5871 36.5551 36.5551 k = 0.3232-0.2286 0.3959 ( 771 PWs) bands (ev): -51.9435 -51.9435 -23.5042 -23.5042 -13.9054 -13.9054 -13.7533 -13.7533 17.5407 17.5407 17.8052 17.8052 22.2046 22.2046 22.8529 22.8529 24.6927 24.6927 25.6557 25.6557 36.3406 36.3406 k = 0.3283-0.2321 0.4021 ( 771 PWs) bands (ev): -51.9407 -51.9407 -23.5106 -23.5106 -13.9146 -13.9146 -13.7676 -13.7676 17.5357 17.5357 17.7232 17.7232 22.3025 22.3025 22.9598 22.9598 24.7916 24.7916 25.7328 25.7328 36.1035 36.1035 k = 0.3333-0.2357 0.4082 ( 771 PWs) bands (ev): -51.9380 -51.9380 -23.5168 -23.5168 -13.9234 -13.9234 -13.7816 -13.7816 17.5237 17.5237 17.6434 17.6434 22.4035 22.4035 23.0696 23.0696 24.8903 24.8903 25.8182 25.8182 35.8566 35.8566 k = 0.3384-0.2393 0.4144 ( 771 PWs) bands (ev): -51.9354 -51.9354 -23.5228 -23.5228 -13.9318 -13.9318 -13.7954 -13.7954 17.5051 17.5051 17.5658 17.5658 22.5077 22.5077 23.1821 23.1821 24.9886 24.9886 25.9116 25.9116 35.6053 35.6053 k = 0.3434-0.2428 0.4206 ( 771 PWs) bands (ev): -51.9328 -51.9328 -23.5287 -23.5287 -13.9397 -13.9397 -13.8090 -13.8090 17.4806 17.4806 17.4903 17.4903 22.6150 22.6150 23.2974 23.2974 25.0864 25.0864 26.0126 26.0126 35.3520 35.3520 k = 0.3485-0.2464 0.4268 ( 771 PWs) bands (ev): -51.9302 -51.9302 -23.5344 -23.5344 -13.9473 -13.9473 -13.8222 -13.8222 17.4171 17.4171 17.4505 17.4505 22.7253 22.7253 23.4155 23.4155 25.1836 25.1836 26.1210 26.1210 35.0981 35.0981 k = 0.3535-0.2500 0.4330 ( 783 PWs) bands (ev): -51.9278 -51.9278 -23.5401 -23.5401 -13.9545 -13.9545 -13.8353 -13.8353 17.3460 17.3460 17.4156 17.4156 22.8388 22.8388 23.5362 23.5362 25.2800 25.2800 26.2363 26.2363 34.8444 34.8444 k = 0.3586-0.2536 0.4392 ( 783 PWs) bands (ev): -51.9254 -51.9254 -23.5454 -23.5454 -13.9613 -13.9613 -13.8480 -13.8480 17.2772 17.2772 17.3763 17.3763 22.9553 22.9553 23.6595 23.6595 25.3756 25.3756 26.3578 26.3578 34.5915 34.5915 k = 0.3636-0.2571 0.4454 ( 783 PWs) bands (ev): -51.9231 -51.9231 -23.5506 -23.5506 -13.9676 -13.9676 -13.8603 -13.8603 17.2107 17.2107 17.3332 17.3332 23.0749 23.0749 23.7853 23.7853 25.4702 25.4702 26.4852 26.4852 34.3399 34.3399 k = 0.3687-0.2607 0.4515 ( 783 PWs) bands (ev): -51.9209 -51.9209 -23.5556 -23.5556 -13.9737 -13.9737 -13.8723 -13.8723 17.1464 17.1464 17.2869 17.2869 23.1974 23.1974 23.9135 23.9135 25.5637 25.5637 26.6177 26.6177 34.0900 34.0900 k = 0.3737-0.2643 0.4577 ( 783 PWs) bands (ev): -51.9187 -51.9187 -23.5604 -23.5604 -13.9793 -13.9793 -13.8840 -13.8840 17.0845 17.0845 17.2380 17.2380 23.3230 23.3230 24.0441 24.0441 25.6559 25.6559 26.7548 26.7548 33.8421 33.8421 k = 0.3788-0.2678 0.4639 ( 783 PWs) bands (ev): -51.9166 -51.9166 -23.5651 -23.5651 -13.9846 -13.9846 -13.8953 -13.8953 17.0248 17.0248 17.1870 17.1870 23.4514 23.4514 24.1768 24.1768 25.7467 25.7467 26.8957 26.8957 33.5965 33.5965 k = 0.3838-0.2714 0.4701 ( 783 PWs) bands (ev): -51.9146 -51.9146 -23.5696 -23.5696 -13.9896 -13.9896 -13.9063 -13.9063 16.9675 16.9675 17.1345 17.1345 23.5827 23.5827 24.3116 24.3116 25.8360 25.8360 27.0397 27.0397 33.3536 33.3536 k = 0.3889-0.2750 0.4763 ( 783 PWs) bands (ev): -51.9126 -51.9126 -23.5738 -23.5738 -13.9942 -13.9942 -13.9168 -13.9168 16.9126 16.9126 17.0809 17.0809 23.7168 23.7168 24.4483 24.4483 25.9237 25.9237 27.1861 27.1861 33.1138 33.1138 k = 0.3939-0.2786 0.4825 ( 791 PWs) bands (ev): -51.9108 -51.9108 -23.5780 -23.5780 -13.9986 -13.9986 -13.9270 -13.9270 16.8600 16.8600 17.0267 17.0267 23.8537 23.8537 24.5868 24.5868 26.0096 26.0096 27.3339 27.3339 32.8775 32.8775 k = 0.3990-0.2821 0.4887 ( 791 PWs) bands (ev): -51.9090 -51.9090 -23.5819 -23.5819 -14.0027 -14.0027 -13.9368 -13.9368 16.8097 16.8097 16.9724 16.9724 23.9931 23.9931 24.7267 24.7267 26.0937 26.0937 27.4822 27.4822 32.6452 32.6452 k = 0.4040-0.2857 0.4948 ( 791 PWs) bands (ev): -51.9073 -51.9073 -23.5856 -23.5856 -14.0064 -14.0064 -13.9462 -13.9462 16.7619 16.7619 16.9183 16.9183 24.1352 24.1352 24.8678 24.8678 26.1758 26.1758 27.6300 27.6300 32.4175 32.4175 k = 0.4091-0.2893 0.5010 ( 792 PWs) bands (ev): -51.9056 -51.9056 -23.5892 -23.5892 -14.0099 -14.0099 -13.9552 -13.9552 16.7164 16.7164 16.8650 16.8650 24.2797 24.2797 25.0098 25.0098 26.2560 26.2560 27.7759 27.7759 32.1951 32.1951 k = 0.4141-0.2928 0.5072 ( 792 PWs) bands (ev): -51.9041 -51.9041 -23.5925 -23.5925 -14.0131 -14.0131 -13.9637 -13.9637 16.6733 16.6733 16.8126 16.8126 24.4265 24.4265 25.1522 25.1522 26.3342 26.3342 27.9186 27.9186 31.9789 31.9789 k = 0.4192-0.2964 0.5134 ( 784 PWs) bands (ev): -51.9026 -51.9026 -23.5956 -23.5956 -14.0159 -14.0159 -13.9717 -13.9717 16.6327 16.6327 16.7617 16.7617 24.5756 24.5756 25.2946 25.2946 26.4105 26.4105 28.0563 28.0563 31.7701 31.7701 k = 0.4242-0.3000 0.5196 ( 784 PWs) bands (ev): -51.9012 -51.9012 -23.5986 -23.5986 -14.0186 -14.0186 -13.9793 -13.9793 16.5945 16.5945 16.7124 16.7124 24.7266 24.7266 25.4364 25.4364 26.4848 26.4848 28.1869 28.1869 31.5703 31.5703 k = 0.4293-0.3036 0.5258 ( 784 PWs) bands (ev): -51.8999 -51.8999 -23.6013 -23.6013 -14.0211 -14.0211 -13.9865 -13.9865 16.5587 16.5587 16.6651 16.6651 24.8795 24.8795 25.5768 25.5768 26.5575 26.5575 28.3079 28.3079 31.3812 31.3812 k = 0.4343-0.3071 0.5320 ( 784 PWs) bands (ev): -51.8987 -51.8987 -23.6039 -23.6039 -14.0233 -14.0233 -13.9933 -13.9933 16.5253 16.5253 16.6200 16.6200 25.0340 25.0340 25.7149 25.7149 26.6287 26.6287 28.4162 28.4162 31.2054 31.2054 k = 0.4394-0.3107 0.5381 ( 784 PWs) bands (ev): -51.8976 -51.8976 -23.6063 -23.6063 -14.0253 -14.0253 -13.9995 -13.9995 16.4944 16.4944 16.5774 16.5774 25.1898 25.1898 25.8495 25.8495 26.6989 26.6989 28.5081 28.5081 31.0460 31.0460 k = 0.4444-0.3143 0.5443 ( 784 PWs) bands (ev): -51.8966 -51.8966 -23.6085 -23.6085 -14.0272 -14.0272 -14.0053 -14.0053 16.4659 16.4659 16.5374 16.5374 25.3465 25.3465 25.9790 25.9790 26.7686 26.7686 28.5792 28.5792 30.9064 30.9064 k = 0.4495-0.3178 0.5505 ( 776 PWs) bands (ev): -51.8956 -51.8956 -23.6104 -23.6104 -14.0287 -14.0287 -14.0106 -14.0106 16.4399 16.4399 16.5003 16.5003 25.5036 25.5036 26.1019 26.1019 26.8386 26.8386 28.6255 28.6255 30.7903 30.7903 k = 0.4545-0.3214 0.5567 ( 772 PWs) bands (ev): -51.8947 -51.8947 -23.6122 -23.6122 -14.0301 -14.0301 -14.0154 -14.0154 16.4164 16.4164 16.4662 16.4662 25.6604 25.6604 26.2162 26.2162 26.9094 26.9094 28.6433 28.6433 30.7007 30.7007 k = 0.4596-0.3250 0.5629 ( 772 PWs) bands (ev): -51.8940 -51.8940 -23.6139 -23.6139 -14.0314 -14.0314 -14.0197 -14.0197 16.3953 16.3953 16.4354 16.4354 25.8160 25.8160 26.3198 26.3198 26.9815 26.9815 28.6311 28.6311 30.6386 30.6386 k = 0.4646-0.3286 0.5691 ( 772 PWs) bands (ev): -51.8933 -51.8933 -23.6153 -23.6153 -14.0325 -14.0325 -14.0235 -14.0235 16.3767 16.3767 16.4078 16.4078 25.9693 25.9693 26.4111 26.4111 27.0550 27.0550 28.5905 28.5905 30.6024 30.6024 k = 0.4697-0.3321 0.5753 ( 780 PWs) bands (ev): -51.8927 -51.8927 -23.6166 -23.6166 -14.0335 -14.0335 -14.0269 -14.0269 16.3605 16.3605 16.3837 16.3837 26.1186 26.1186 26.4889 26.4889 27.1287 27.1287 28.5262 28.5262 30.5876 30.5876 k = 0.4747-0.3357 0.5814 ( 780 PWs) bands (ev): -51.8922 -51.8922 -23.6177 -23.6177 -14.0343 -14.0343 -14.0297 -14.0297 16.3469 16.3469 16.3631 16.3631 26.2612 26.2612 26.5529 26.5529 27.2005 27.2005 28.4452 28.4452 30.5884 30.5884 k = 0.4798-0.3393 0.5876 ( 784 PWs) bands (ev): -51.8918 -51.8918 -23.6186 -23.6186 -14.0350 -14.0350 -14.0320 -14.0320 16.3357 16.3357 16.3462 16.3462 26.3937 26.3937 26.6036 26.6036 27.2671 27.2671 28.3560 28.3560 30.5984 30.5984 k = 0.4848-0.3428 0.5938 ( 784 PWs) bands (ev): -51.8915 -51.8915 -23.6192 -23.6192 -14.0355 -14.0355 -14.0338 -14.0338 16.3270 16.3270 16.3329 16.3329 26.5106 26.5106 26.6418 26.6418 27.3248 27.3248 28.2682 28.2682 30.6121 30.6121 k = 0.4899-0.3464 0.6000 ( 784 PWs) bands (ev): -51.8913 -51.8913 -23.6197 -23.6197 -14.0358 -14.0358 -14.0351 -14.0351 16.3208 16.3208 16.3234 16.3234 26.6048 26.6048 26.6682 26.6682 27.3695 27.3695 28.1927 28.1927 30.6250 30.6250 k = 0.4949-0.3500 0.6062 ( 784 PWs) bands (ev): -51.8912 -51.8912 -23.6200 -23.6200 -14.0360 -14.0360 -14.0358 -14.0358 16.3170 16.3170 16.3177 16.3177 26.6670 26.6670 26.6838 26.6838 27.3979 27.3979 28.1407 28.1407 30.6340 30.6340 k = 0.5000-0.3536 0.6124 ( 784 PWs) bands (ev): -51.8911 -51.8911 -23.6201 -23.6201 -14.0361 -14.0361 -14.0361 -14.0361 16.3158 16.3158 16.3158 16.3158 26.6890 26.6890 26.6890 26.6890 27.4076 27.4076 28.1221 28.1221 30.6372 30.6372 k = 0.5000-0.3536 0.6124 ( 784 PWs) bands (ev): -51.8911 -51.8911 -23.6201 -23.6201 -14.0361 -14.0361 -14.0361 -14.0361 16.3158 16.3158 16.3158 16.3158 26.6890 26.6890 26.6890 26.6890 27.4076 27.4076 28.1221 28.1221 30.6372 30.6372 k = 0.4929-0.3485 0.6124 ( 784 PWs) bands (ev): -51.8912 -51.8912 -23.6200 -23.6200 -14.0361 -14.0361 -14.0357 -14.0357 16.3172 16.3172 16.3175 16.3175 26.6654 26.6654 26.6854 26.6854 27.3979 27.3979 28.1408 28.1408 30.6382 30.6382 k = 0.4857-0.3435 0.6124 ( 784 PWs) bands (ev): -51.8913 -51.8913 -23.6197 -23.6197 -14.0363 -14.0363 -14.0346 -14.0346 16.3214 16.3214 16.3228 16.3228 26.5983 26.5983 26.6743 26.6743 27.3699 27.3699 28.1932 28.1932 30.6414 30.6414 k = 0.4786-0.3384 0.6124 ( 784 PWs) bands (ev): -51.8915 -51.8915 -23.6192 -23.6192 -14.0365 -14.0365 -14.0328 -14.0328 16.3284 16.3284 16.3316 16.3316 26.4961 26.4961 26.6538 26.6538 27.3269 27.3269 28.2707 28.2707 30.6466 30.6466 k = 0.4714-0.3334 0.6124 ( 784 PWs) bands (ev): -51.8918 -51.8918 -23.6186 -23.6186 -14.0368 -14.0368 -14.0302 -14.0302 16.3381 16.3381 16.3438 16.3438 26.3680 26.3680 26.6212 26.6212 27.2742 27.2742 28.3640 28.3640 30.6540 30.6540 k = 0.4643-0.3283 0.6124 ( 782 PWs) bands (ev): -51.8922 -51.8922 -23.6177 -23.6177 -14.0371 -14.0371 -14.0269 -14.0269 16.3506 16.3506 16.3595 16.3595 26.2213 26.2213 26.5726 26.5726 27.2182 27.2182 28.4656 28.4656 30.6637 30.6637 k = 0.4571-0.3232 0.6124 ( 782 PWs) bands (ev): -51.8927 -51.8927 -23.6167 -23.6167 -14.0376 -14.0376 -14.0229 -14.0229 16.3657 16.3657 16.3788 16.3788 26.0614 26.0614 26.5040 26.5040 27.1658 27.1658 28.5700 28.5700 30.6755 30.6755 k = 0.4500-0.3182 0.6124 ( 778 PWs) bands (ev): -51.8933 -51.8933 -23.6154 -23.6154 -14.0381 -14.0381 -14.0181 -14.0181 16.3835 16.3835 16.4015 16.4015 25.8921 25.8921 26.4130 26.4130 27.1220 27.1220 28.6733 28.6733 30.6898 30.6898 k = 0.4429-0.3131 0.6124 ( 778 PWs) bands (ev): -51.8940 -51.8940 -23.6140 -23.6140 -14.0387 -14.0387 -14.0126 -14.0126 16.4039 16.4039 16.4276 16.4276 25.7161 25.7161 26.3000 26.3000 27.0889 27.0889 28.7728 28.7728 30.7064 30.7064 k = 0.4357-0.3081 0.6124 ( 770 PWs) bands (ev): -51.8947 -51.8947 -23.6123 -23.6123 -14.0393 -14.0393 -14.0064 -14.0064 16.4269 16.4269 16.4572 16.4572 25.5351 25.5351 26.1677 26.1677 27.0659 27.0659 28.8667 28.8667 30.7255 30.7255 k = 0.4286-0.3030 0.6124 ( 774 PWs) bands (ev): -51.8955 -51.8955 -23.6106 -23.6106 -14.0401 -14.0401 -13.9997 -13.9997 16.4522 16.4522 16.4902 16.4902 25.3507 25.3507 26.0199 26.0199 27.0512 27.0512 28.9537 28.9537 30.7470 30.7470 k = 0.4214-0.2980 0.6124 ( 776 PWs) bands (ev): -51.8965 -51.8965 -23.6087 -23.6087 -14.0409 -14.0409 -13.9922 -13.9922 16.4799 16.4799 16.5266 16.5266 25.1638 25.1638 25.8600 25.8600 27.0429 27.0429 29.0329 29.0329 30.7710 30.7710 k = 0.4143-0.2929 0.6124 ( 772 PWs) bands (ev): -51.8975 -51.8975 -23.6066 -23.6066 -14.0418 -14.0418 -13.9840 -13.9840 16.5099 16.5099 16.5664 16.5664 24.9754 24.9754 25.6910 25.6910 27.0395 27.0395 29.1039 29.1039 30.7974 30.7974 k = 0.4071-0.2879 0.6124 ( 772 PWs) bands (ev): -51.8985 -51.8985 -23.6043 -23.6043 -14.0427 -14.0427 -13.9752 -13.9752 16.5420 16.5420 16.6096 16.6096 24.7862 24.7862 25.5153 25.5153 27.0398 27.0398 29.1664 29.1664 30.8261 30.8261 k = 0.4000-0.2828 0.6124 ( 780 PWs) bands (ev): -51.8997 -51.8997 -23.6020 -23.6020 -14.0438 -14.0438 -13.9658 -13.9658 16.5760 16.5760 16.6560 16.6560 24.5967 24.5967 25.3348 25.3348 27.0431 27.0431 29.2203 29.2203 30.8570 30.8570 k = 0.3929-0.2778 0.6124 ( 780 PWs) bands (ev): -51.9009 -51.9009 -23.5994 -23.5994 -14.0448 -14.0448 -13.9557 -13.9557 16.6119 16.6119 16.7059 16.7059 24.4075 24.4075 25.1510 25.1510 27.0486 27.0486 29.2658 29.2658 30.8899 30.8899 k = 0.3857-0.2727 0.6124 ( 780 PWs) bands (ev): -51.9022 -51.9022 -23.5967 -23.5967 -14.0459 -14.0459 -13.9450 -13.9450 16.6495 16.6495 16.7590 16.7590 24.2191 24.2191 24.9650 24.9650 27.0561 27.0561 29.3030 29.3030 30.9247 30.9247 k = 0.3786-0.2677 0.6124 ( 780 PWs) bands (ev): -51.9036 -51.9036 -23.5938 -23.5938 -14.0471 -14.0471 -13.9337 -13.9337 16.6885 16.6885 16.8154 16.8154 24.0318 24.0318 24.7781 24.7781 27.0652 27.0652 29.3324 29.3324 30.9612 30.9612 k = 0.3714-0.2626 0.6124 ( 780 PWs) bands (ev): -51.9050 -51.9050 -23.5908 -23.5908 -14.0482 -14.0482 -13.9219 -13.9219 16.7287 16.7287 16.8750 16.8750 23.8461 23.8461 24.5910 24.5910 27.0757 27.0757 29.3541 29.3541 30.9991 30.9991 k = 0.3643-0.2576 0.6124 ( 790 PWs) bands (ev): -51.9065 -51.9065 -23.5878 -23.5878 -14.0495 -14.0495 -13.9096 -13.9096 16.7700 16.7700 16.9377 16.9377 23.6623 23.6623 24.4046 24.4046 27.0874 27.0874 29.3686 29.3686 31.0382 31.0382 k = 0.3571-0.2525 0.6124 ( 790 PWs) bands (ev): -51.9081 -51.9081 -23.5846 -23.5846 -14.0508 -14.0508 -13.8967 -13.8967 16.8119 16.8119 17.0037 17.0037 23.4808 23.4808 24.2196 24.2196 27.1001 27.1001 29.3762 29.3762 31.0783 31.0783 k = 0.3500-0.2475 0.6124 ( 786 PWs) bands (ev): -51.9097 -51.9097 -23.5812 -23.5812 -14.0521 -14.0521 -13.8832 -13.8832 16.8543 16.8543 17.0728 17.0728 23.3018 23.3018 24.0366 24.0366 27.1138 27.1138 29.3773 29.3773 31.1193 31.1193 k = 0.3429-0.2424 0.6124 ( 786 PWs) bands (ev): -51.9113 -51.9113 -23.5778 -23.5778 -14.0534 -14.0534 -13.8693 -13.8693 16.8968 16.8968 17.1450 17.1450 23.1257 23.1257 23.8565 23.8565 27.1283 27.1283 29.3720 29.3720 31.1609 31.1609 k = 0.3357-0.2374 0.6124 ( 784 PWs) bands (ev): -51.9130 -51.9130 -23.5742 -23.5742 -14.0547 -14.0547 -13.8550 -13.8550 16.9389 16.9389 17.2202 17.2202 22.9526 22.9526 23.6797 23.6797 27.1436 27.1436 29.3607 29.3607 31.2031 31.2031 k = 0.3286-0.2323 0.6124 ( 780 PWs) bands (ev): -51.9148 -51.9148 -23.5705 -23.5705 -14.0560 -14.0560 -13.8402 -13.8402 16.9804 16.9804 17.2985 17.2985 22.7829 22.7829 23.5070 23.5070 27.1596 27.1596 29.3435 29.3435 31.2456 31.2456 k = 0.3214-0.2273 0.6124 ( 780 PWs) bands (ev): -51.9166 -51.9166 -23.5668 -23.5668 -14.0573 -14.0573 -13.8250 -13.8250 17.0206 17.0206 17.3797 17.3797 22.6166 22.6166 23.3392 23.3392 27.1762 27.1762 29.3207 29.3207 31.2884 31.2884 k = 0.3143-0.2222 0.6124 ( 780 PWs) bands (ev): -51.9184 -51.9184 -23.5630 -23.5630 -14.0587 -14.0587 -13.8095 -13.8095 17.0592 17.0592 17.4639 17.4639 22.4538 22.4538 23.1769 23.1769 27.1934 27.1934 29.2924 29.2924 31.3314 31.3314 k = 0.3071-0.2172 0.6124 ( 778 PWs) bands (ev): -51.9203 -51.9203 -23.5591 -23.5591 -14.0600 -14.0600 -13.7936 -13.7936 17.0957 17.0957 17.5510 17.5510 22.2946 22.2946 23.0211 23.0211 27.2111 27.2111 29.2586 29.2586 31.3744 31.3744 k = 0.3000-0.2121 0.6124 ( 778 PWs) bands (ev): -51.9222 -51.9222 -23.5552 -23.5552 -14.0613 -14.0613 -13.7774 -13.7774 17.1294 17.1294 17.6409 17.6409 22.1389 22.1389 22.8726 22.8726 27.2293 27.2293 29.2196 29.2196 31.4175 31.4175 k = 0.2929-0.2071 0.6124 ( 778 PWs) bands (ev): -51.9241 -51.9241 -23.5512 -23.5512 -14.0626 -14.0626 -13.7609 -13.7609 17.1598 17.1598 17.7336 17.7336 21.9866 21.9866 22.7324 22.7324 27.2478 27.2478 29.1754 29.1754 31.4605 31.4605 k = 0.2857-0.2020 0.6124 ( 778 PWs) bands (ev): -51.9260 -51.9260 -23.5472 -23.5472 -14.0640 -14.0640 -13.7441 -13.7441 17.1862 17.1862 17.8291 17.8291 21.8375 21.8375 22.6015 22.6015 27.2666 27.2666 29.1260 29.1260 31.5034 31.5034 k = 0.2786-0.1970 0.6124 ( 778 PWs) bands (ev): -51.9280 -51.9280 -23.5431 -23.5431 -14.0653 -14.0653 -13.7272 -13.7272 17.2082 17.2082 17.9272 17.9272 21.6914 21.6914 22.4811 22.4811 27.2857 27.2857 29.0715 29.0715 31.5462 31.5462 k = 0.2714-0.1919 0.6124 ( 778 PWs) bands (ev): -51.9300 -51.9300 -23.5390 -23.5390 -14.0665 -14.0665 -13.7100 -13.7100 17.2252 17.2252 18.0280 18.0280 21.5478 21.5478 22.3722 22.3722 27.3051 27.3051 29.0121 29.0121 31.5887 31.5887 k = 0.2643-0.1869 0.6124 ( 778 PWs) bands (ev): -51.9320 -51.9320 -23.5349 -23.5349 -14.0678 -14.0678 -13.6927 -13.6927 17.2365 17.2365 18.1314 18.1314 21.4067 21.4067 22.2757 22.2757 27.3245 27.3245 28.9477 28.9477 31.6310 31.6310 k = 0.2571-0.1818 0.6124 ( 782 PWs) bands (ev): -51.9340 -51.9340 -23.5309 -23.5309 -14.0691 -14.0691 -13.6753 -13.6753 17.2419 17.2419 18.2374 18.2374 21.2677 21.2677 22.1924 22.1924 27.3440 27.3440 28.8786 28.8786 31.6729 31.6729 k = 0.2500-0.1768 0.6124 ( 782 PWs) bands (ev): -51.9360 -51.9360 -23.5268 -23.5268 -14.0703 -14.0703 -13.6578 -13.6578 17.2408 17.2408 18.3458 18.3458 21.1308 21.1308 22.1229 22.1229 27.3635 27.3635 28.8047 28.8047 31.7146 31.7146 k = 0.2429-0.1717 0.6124 ( 778 PWs) bands (ev): -51.9380 -51.9380 -23.5226 -23.5226 -14.0714 -14.0714 -13.6401 -13.6401 17.2332 17.2332 18.4566 18.4566 20.9959 20.9959 22.0675 22.0675 27.3829 27.3829 28.7262 28.7262 31.7558 31.7558 k = 0.2357-0.1667 0.6124 ( 778 PWs) bands (ev): -51.9400 -51.9400 -23.5186 -23.5186 -14.0725 -14.0725 -13.6225 -13.6225 17.2188 17.2188 18.5698 18.5698 20.8631 20.8631 22.0266 22.0266 27.4020 27.4020 28.6432 28.6432 31.7966 31.7966 k = 0.2286-0.1616 0.6124 ( 778 PWs) bands (ev): -51.9420 -51.9420 -23.5145 -23.5145 -14.0736 -14.0736 -13.6049 -13.6049 17.1978 17.1978 18.6852 18.6852 20.7325 20.7325 21.9998 21.9998 27.4207 27.4207 28.5561 28.5561 31.8368 31.8368 k = 0.2214-0.1566 0.6124 ( 778 PWs) bands (ev): -51.9440 -51.9440 -23.5105 -23.5105 -14.0747 -14.0747 -13.5874 -13.5874 17.1702 17.1702 18.8029 18.8029 20.6043 20.6043 21.9871 21.9871 27.4388 27.4388 28.4651 28.4651 31.8766 31.8766 k = 0.2143-0.1515 0.6124 ( 778 PWs) bands (ev): -51.9459 -51.9459 -23.5065 -23.5065 -14.0757 -14.0757 -13.5700 -13.5700 17.1365 17.1365 18.9227 18.9227 20.4786 20.4786 21.9878 21.9878 27.4559 27.4559 28.3705 28.3705 31.9158 31.9158 k = 0.2071-0.1465 0.6124 ( 778 PWs) bands (ev): -51.9479 -51.9479 -23.5025 -23.5025 -14.0767 -14.0767 -13.5526 -13.5526 17.0971 17.0971 19.0446 19.0446 20.3556 20.3556 22.0013 22.0013 27.4717 27.4717 28.2730 28.2730 31.9544 31.9544 k = 0.2000-0.1414 0.6124 ( 778 PWs) bands (ev): -51.9498 -51.9498 -23.4986 -23.4986 -14.0777 -14.0777 -13.5355 -13.5355 17.0525 17.0525 19.1684 19.1684 20.2356 20.2356 22.0269 22.0269 27.4853 27.4853 28.1734 28.1734 31.9923 31.9923 k = 0.1929-0.1364 0.6124 ( 786 PWs) bands (ev): -51.9517 -51.9517 -23.4949 -23.4949 -14.0786 -14.0786 -13.5186 -13.5186 17.0032 17.0032 19.2941 19.2941 20.1186 20.1186 22.0638 22.0638 27.4953 27.4953 28.0732 28.0732 32.0295 32.0295 k = 0.1857-0.1313 0.6124 ( 782 PWs) bands (ev): -51.9536 -51.9536 -23.4911 -23.4911 -14.0794 -14.0794 -13.5018 -13.5018 16.9501 16.9501 19.4215 19.4215 20.0050 20.0050 22.1111 22.1111 27.4993 27.4993 27.9751 27.9751 32.0659 32.0659 k = 0.1786-0.1263 0.6124 ( 782 PWs) bands (ev): -51.9554 -51.9554 -23.4874 -23.4874 -14.0802 -14.0802 -13.4854 -13.4854 16.8937 16.8937 19.5505 19.5505 19.8950 19.8950 22.1679 22.1679 27.4921 27.4921 27.8845 27.8845 32.1016 32.1016 k = 0.1714-0.1212 0.6124 ( 782 PWs) bands (ev): -51.9572 -51.9572 -23.4839 -23.4839 -14.0810 -14.0810 -13.4692 -13.4692 16.8348 16.8348 19.6795 19.6795 19.7900 19.7900 22.2332 22.2332 27.4649 27.4649 27.8102 27.8102 32.1364 32.1364 k = 0.1643-0.1162 0.6124 ( 782 PWs) bands (ev): -51.9589 -51.9589 -23.4804 -23.4804 -14.0817 -14.0817 -13.4534 -13.4534 16.7740 16.7740 19.6820 19.6820 19.8167 19.8167 22.3060 22.3060 27.4084 27.4084 27.7618 27.7618 32.1703 32.1703 k = 0.1571-0.1111 0.6124 ( 782 PWs) bands (ev): -51.9606 -51.9606 -23.4770 -23.4770 -14.0824 -14.0824 -13.4379 -13.4379 16.7119 16.7119 19.5840 19.5840 19.9490 19.9490 22.3855 22.3855 27.3232 27.3232 27.7389 27.7389 32.2033 32.2033 k = 0.1500-0.1061 0.6124 ( 784 PWs) bands (ev): -51.9623 -51.9623 -23.4737 -23.4737 -14.0831 -14.0831 -13.4229 -13.4229 16.6491 16.6491 19.4888 19.4888 20.0835 20.0835 22.4707 22.4707 27.2181 27.2181 27.7330 27.7330 32.2353 32.2353 k = 0.1429-0.1010 0.6124 ( 784 PWs) bands (ev): -51.9639 -51.9639 -23.4705 -23.4705 -14.0837 -14.0837 -13.4083 -13.4083 16.5862 16.5862 19.3974 19.3974 20.2193 20.2193 22.5608 22.5608 27.1011 27.1011 27.7361 27.7361 32.2663 32.2663 k = 0.1357-0.0960 0.6124 ( 778 PWs) bands (ev): -51.9654 -51.9654 -23.4674 -23.4674 -14.0842 -14.0842 -13.3941 -13.3941 16.5238 16.5238 19.3100 19.3100 20.3560 20.3560 22.6548 22.6548 26.9771 26.9771 27.7440 27.7440 32.2962 32.2962 k = 0.1286-0.0909 0.6124 ( 778 PWs) bands (ev): -51.9668 -51.9668 -23.4644 -23.4644 -14.0847 -14.0847 -13.3805 -13.3805 16.4622 16.4622 19.2267 19.2267 20.4934 20.4934 22.7518 22.7518 26.8484 26.8484 27.7543 27.7543 32.3251 32.3251 k = 0.1214-0.0859 0.6124 ( 778 PWs) bands (ev): -51.9683 -51.9683 -23.4616 -23.4616 -14.0852 -14.0852 -13.3675 -13.3675 16.4020 16.4020 19.1476 19.1476 20.6312 20.6312 22.8509 22.8509 26.7166 26.7166 27.7658 27.7658 32.3528 32.3528 k = 0.1143-0.0808 0.6124 ( 784 PWs) bands (ev): -51.9696 -51.9696 -23.4590 -23.4590 -14.0857 -14.0857 -13.3551 -13.3551 16.3435 16.3435 19.0727 19.0727 20.7691 20.7691 22.9514 22.9514 26.5829 26.5829 27.7779 27.7779 32.3793 32.3793 k = 0.1071-0.0758 0.6124 ( 784 PWs) bands (ev): -51.9709 -51.9709 -23.4565 -23.4565 -14.0861 -14.0861 -13.3432 -13.3432 16.2870 16.2870 19.0021 19.0021 20.9070 20.9070 23.0522 23.0522 26.4479 26.4479 27.7901 27.7901 32.4047 32.4047 k = 0.1000-0.0707 0.6124 ( 780 PWs) bands (ev): -51.9721 -51.9721 -23.4540 -23.4540 -14.0864 -14.0864 -13.3319 -13.3319 16.2330 16.2330 18.9359 18.9359 21.0443 21.0443 23.1526 23.1526 26.3125 26.3125 27.8022 27.8022 32.4289 32.4289 k = 0.0929-0.0657 0.6124 ( 780 PWs) bands (ev): -51.9732 -51.9732 -23.4518 -23.4518 -14.0868 -14.0868 -13.3213 -13.3213 16.1816 16.1816 18.8740 18.8740 21.1807 21.1807 23.2515 23.2515 26.1773 26.1773 27.8140 27.8140 32.4518 32.4518 k = 0.0857-0.0606 0.6124 ( 788 PWs) bands (ev): -51.9743 -51.9743 -23.4497 -23.4497 -14.0872 -14.0872 -13.3114 -13.3114 16.1331 16.1331 18.8166 18.8166 21.3156 21.3156 23.3481 23.3481 26.0431 26.0431 27.8253 27.8253 32.4735 32.4735 k = 0.0786-0.0556 0.6124 ( 788 PWs) bands (ev): -51.9753 -51.9753 -23.4478 -23.4478 -14.0875 -14.0875 -13.3021 -13.3021 16.0877 16.0877 18.7637 18.7637 21.4484 21.4484 23.4414 23.4414 25.9108 25.9108 27.8360 27.8360 32.4940 32.4940 k = 0.0714-0.0505 0.6124 ( 788 PWs) bands (ev): -51.9762 -51.9762 -23.4460 -23.4460 -14.0877 -14.0877 -13.2936 -13.2936 16.0457 16.0457 18.7152 18.7152 21.5785 21.5785 23.5304 23.5304 25.7812 25.7812 27.8460 27.8460 32.5133 32.5133 k = 0.0643-0.0455 0.6124 ( 788 PWs) bands (ev): -51.9770 -51.9770 -23.4444 -23.4444 -14.0879 -14.0879 -13.2859 -13.2859 16.0072 16.0072 18.6713 18.6713 21.7048 21.7048 23.6142 23.6142 25.6554 25.6554 27.8553 27.8553 32.5314 32.5314 k = 0.0571-0.0404 0.6124 ( 790 PWs) bands (ev): -51.9778 -51.9778 -23.4429 -23.4429 -14.0881 -14.0881 -13.2789 -13.2789 15.9724 15.9724 18.6319 18.6319 21.8262 21.8262 23.6917 23.6917 25.5349 25.5349 27.8639 27.8639 32.5483 32.5483 k = 0.0500-0.0354 0.6124 ( 786 PWs) bands (ev): -51.9784 -51.9784 -23.4416 -23.4416 -14.0883 -14.0883 -13.2726 -13.2726 15.9414 15.9414 18.5972 18.5972 21.9414 21.9414 23.7620 23.7620 25.4209 25.4209 27.8715 27.8715 32.5641 32.5641 k = 0.0429-0.0303 0.6124 ( 786 PWs) bands (ev): -51.9790 -51.9790 -23.4404 -23.4404 -14.0884 -14.0884 -13.2672 -13.2672 15.9143 15.9143 18.5670 18.5670 22.0486 22.0486 23.8243 23.8243 25.3155 25.3155 27.8783 27.8783 32.5787 32.5787 k = 0.0357-0.0253 0.6124 ( 786 PWs) bands (ev): -51.9795 -51.9795 -23.4395 -23.4395 -14.0885 -14.0885 -13.2626 -13.2626 15.8912 15.8912 18.5414 18.5414 22.1459 22.1459 23.8776 23.8776 25.2206 25.2206 27.8841 27.8841 32.5920 32.5920 k = 0.0286-0.0202 0.6124 ( 786 PWs) bands (ev): -51.9799 -51.9799 -23.4387 -23.4387 -14.0886 -14.0886 -13.2588 -13.2588 15.8722 15.8722 18.5205 18.5205 22.2309 22.2309 23.9213 23.9213 25.1384 25.1384 27.8889 27.8889 32.6040 32.6040 k = 0.0214-0.0152 0.6124 ( 786 PWs) bands (ev): -51.9802 -51.9802 -23.4381 -23.4381 -14.0887 -14.0887 -13.2559 -13.2559 15.8574 15.8574 18.5042 18.5042 22.3010 22.3010 23.9552 23.9552 25.0714 25.0714 27.8926 27.8926 32.6144 32.6144 k = 0.0143-0.0101 0.6124 ( 786 PWs) bands (ev): -51.9804 -51.9804 -23.4376 -23.4376 -14.0888 -14.0888 -13.2538 -13.2538 15.8467 15.8467 18.4925 18.4925 22.3535 22.3535 23.9791 23.9791 25.0217 25.0217 27.8953 27.8953 32.6225 32.6225 k = 0.0071-0.0051 0.6124 ( 798 PWs) bands (ev): -51.9806 -51.9806 -23.4375 -23.4375 -14.0889 -14.0889 -13.2526 -13.2526 15.8403 15.8403 18.4855 18.4855 22.3862 22.3862 23.9933 23.9933 24.9911 24.9911 27.8970 27.8970 32.6278 32.6278 k = 0.0000 0.0000 0.6124 ( 798 PWs) bands (ev): -51.9807 -51.9807 -23.4374 -23.4374 -14.0889 -14.0889 -13.2522 -13.2522 15.8382 15.8382 18.4832 18.4832 22.3973 22.3973 23.9980 23.9980 24.9808 24.9808 27.8975 27.8975 32.6296 32.6296 k = 0.0000 0.0000 0.6124 ( 798 PWs) bands (ev): -51.9807 -51.9807 -23.4374 -23.4374 -14.0889 -14.0889 -13.2522 -13.2522 15.8382 15.8382 18.4832 18.4832 22.3973 22.3973 23.9980 23.9980 24.9808 24.9808 27.8975 27.8975 32.6296 32.6296 k = 0.0000 0.0000 0.6036 ( 798 PWs) bands (ev): -51.9807 -51.9807 -23.4372 -23.4372 -14.0884 -14.0884 -13.2521 -13.2521 15.8384 15.8384 18.4841 18.4841 22.3892 22.3892 23.9996 23.9996 24.9801 24.9801 27.8905 27.8905 32.6352 32.6352 k = 0.0000 0.0000 0.5949 ( 794 PWs) bands (ev): -51.9809 -51.9809 -23.4367 -23.4367 -14.0869 -14.0869 -13.2518 -13.2518 15.8390 15.8390 18.4867 18.4867 22.3654 22.3654 24.0041 24.0041 24.9780 24.9780 27.8695 27.8695 32.6521 32.6521 k = 0.0000 0.0000 0.5861 ( 790 PWs) bands (ev): -51.9812 -51.9812 -23.4358 -23.4358 -14.0845 -14.0845 -13.2513 -13.2513 15.8400 15.8400 18.4912 18.4912 22.3266 22.3266 24.0112 24.0112 24.9745 24.9745 27.8347 27.8347 32.6800 32.6800 k = 0.0000 0.0000 0.5774 ( 790 PWs) bands (ev): -51.9816 -51.9816 -23.4346 -23.4346 -14.0811 -14.0811 -13.2505 -13.2505 15.8413 15.8413 18.4974 18.4974 22.2739 22.2739 24.0198 24.0198 24.9697 24.9697 27.7867 27.7867 32.7187 32.7187 k = 0.0000 0.0000 0.5686 ( 790 PWs) bands (ev): -51.9821 -51.9821 -23.4331 -23.4331 -14.0768 -14.0768 -13.2496 -13.2496 15.8428 15.8428 18.5054 18.5054 22.2088 22.2088 24.0291 24.0291 24.9634 24.9634 27.7258 27.7258 32.7678 32.7678 k = 0.0000 0.0000 0.5599 ( 790 PWs) bands (ev): -51.9828 -51.9828 -23.4312 -23.4312 -14.0716 -14.0716 -13.2485 -13.2485 15.8444 15.8444 18.5151 18.5151 22.1328 22.1328 24.0381 24.0381 24.9556 24.9556 27.6528 27.6528 32.8268 32.8268 k = 0.0000 0.0000 0.5511 ( 782 PWs) bands (ev): -51.9836 -51.9836 -23.4290 -23.4290 -14.0654 -14.0654 -13.2471 -13.2471 15.8461 15.8461 18.5266 18.5266 22.0475 22.0475 24.0461 24.0461 24.9464 24.9464 27.5683 27.5683 32.8951 32.8951 k = 0.0000 0.0000 0.5424 ( 782 PWs) bands (ev): -51.9845 -51.9845 -23.4265 -23.4265 -14.0583 -14.0583 -13.2456 -13.2456 15.8475 15.8475 18.5398 18.5398 21.9545 21.9545 24.0523 24.0523 24.9357 24.9357 27.4734 27.4734 32.9718 32.9718 k = 0.0000 0.0000 0.5336 ( 782 PWs) bands (ev): -51.9855 -51.9855 -23.4237 -23.4237 -14.0503 -14.0503 -13.2439 -13.2439 15.8486 15.8486 18.5547 18.5547 21.8550 21.8550 24.0561 24.0561 24.9235 24.9235 27.3687 27.3687 33.0561 33.0561 k = 0.0000 0.0000 0.5249 ( 782 PWs) bands (ev): -51.9866 -51.9866 -23.4205 -23.4205 -14.0414 -14.0414 -13.2420 -13.2420 15.8490 15.8490 18.5714 18.5714 21.7506 21.7506 24.0573 24.0573 24.9098 24.9098 27.2552 27.2552 33.1472 33.1472 k = 0.0000 0.0000 0.5161 ( 782 PWs) bands (ev): -51.9878 -51.9878 -23.4171 -23.4171 -14.0316 -14.0316 -13.2399 -13.2399 15.8487 15.8487 18.5897 18.5897 21.6423 21.6423 24.0557 24.0557 24.8945 24.8945 27.1338 27.1338 33.2440 33.2440 k = 0.0000 0.0000 0.5074 ( 782 PWs) bands (ev): -51.9892 -51.9892 -23.4134 -23.4134 -14.0209 -14.0209 -13.2377 -13.2377 15.8473 15.8473 18.6097 18.6097 21.5316 21.5316 24.0510 24.0510 24.8777 24.8777 27.0054 27.0054 33.3459 33.3459 k = 0.0000 0.0000 0.4986 ( 782 PWs) bands (ev): -51.9906 -51.9906 -23.4093 -23.4093 -14.0093 -14.0093 -13.2352 -13.2352 15.8444 15.8444 18.6313 18.6313 21.4193 21.4193 24.0433 24.0433 24.8594 24.8594 26.8709 26.8709 33.4521 33.4521 k = 0.0000 0.0000 0.4899 ( 782 PWs) bands (ev): -51.9922 -51.9922 -23.4050 -23.4050 -13.9970 -13.9970 -13.2326 -13.2326 15.8399 15.8399 18.6546 18.6546 21.3067 21.3067 24.0328 24.0328 24.8397 24.8397 26.7312 26.7312 33.5621 33.5621 k = 0.0000 0.0000 0.4811 ( 782 PWs) bands (ev): -51.9938 -51.9938 -23.4005 -23.4005 -13.9837 -13.9837 -13.2298 -13.2298 15.8333 15.8333 18.6795 18.6795 21.1946 21.1946 24.0194 24.0194 24.8184 24.8184 26.5869 26.5869 33.6756 33.6756 k = 0.0000 0.0000 0.4724 ( 782 PWs) bands (ev): -51.9955 -51.9955 -23.3956 -23.3956 -13.9697 -13.9697 -13.2269 -13.2269 15.8242 15.8242 18.7060 18.7060 21.0840 21.0840 24.0035 24.0035 24.7958 24.7958 26.4390 26.4390 33.7924 33.7924 k = 0.0000 0.0000 0.4637 ( 782 PWs) bands (ev): -51.9974 -51.9974 -23.3905 -23.3905 -13.9550 -13.9550 -13.2237 -13.2237 15.8124 15.8124 18.7340 18.7340 20.9759 20.9759 23.9851 23.9851 24.7718 24.7718 26.2881 26.2881 33.9123 33.9123 k = 0.0000 0.0000 0.4549 ( 782 PWs) bands (ev): -51.9993 -51.9993 -23.3852 -23.3852 -13.9394 -13.9394 -13.2205 -13.2205 15.7973 15.7973 18.7636 18.7636 20.8711 20.8711 23.9645 23.9645 24.7463 24.7463 26.1350 26.1350 34.0352 34.0352 k = 0.0000 0.0000 0.4462 ( 782 PWs) bands (ev): -52.0013 -52.0013 -23.3796 -23.3796 -13.9232 -13.9232 -13.2171 -13.2171 15.7785 15.7785 18.7946 18.7946 20.7703 20.7703 23.9420 23.9420 24.7195 24.7195 25.9804 25.9804 34.1610 34.1610 k = 0.0000 0.0000 0.4374 ( 786 PWs) bands (ev): -52.0034 -52.0034 -23.3739 -23.3739 -13.9062 -13.9062 -13.2136 -13.2136 15.7558 15.7558 18.8271 18.8271 20.6744 20.6744 23.9177 23.9177 24.6913 24.6913 25.8251 25.8251 34.2893 34.2893 k = 0.0000 0.0000 0.4287 ( 786 PWs) bands (ev): -52.0055 -52.0055 -23.3679 -23.3679 -13.8886 -13.8886 -13.2099 -13.2099 15.7287 15.7287 18.8610 18.8610 20.5841 20.5841 23.8919 23.8919 24.6614 24.6614 25.6699 25.6699 34.4201 34.4201 k = 0.0000 0.0000 0.4199 ( 786 PWs) bands (ev): -52.0077 -52.0077 -23.3617 -23.3617 -13.8703 -13.8703 -13.2060 -13.2060 15.6968 15.6968 18.8963 18.8963 20.5000 20.5000 23.8648 23.8648 24.6295 24.6295 25.5158 25.5158 34.5531 34.5531 k = 0.0000 0.0000 0.4112 ( 786 PWs) bands (ev): -52.0100 -52.0100 -23.3553 -23.3553 -13.8514 -13.8514 -13.2021 -13.2021 15.6599 15.6599 18.9330 18.9330 20.4226 20.4226 23.8367 23.8367 24.5950 24.5950 25.3638 25.3638 34.6880 34.6880 k = 0.0000 0.0000 0.4024 ( 786 PWs) bands (ev): -52.0124 -52.0124 -23.3488 -23.3488 -13.8319 -13.8319 -13.1980 -13.1980 15.6177 15.6177 18.9709 18.9709 20.3523 20.3523 23.8077 23.8077 24.5568 24.5568 25.2157 25.2157 34.8244 34.8244 k = 0.0000 0.0000 0.3937 ( 784 PWs) bands (ev): -52.0148 -52.0148 -23.3420 -23.3420 -13.8118 -13.8118 -13.1939 -13.1939 15.5701 15.5701 19.0100 19.0100 20.2896 20.2896 23.7781 23.7781 24.5129 24.5129 25.0740 25.0740 34.9619 34.9619 k = 0.0000 0.0000 0.3849 ( 784 PWs) bands (ev): -52.0172 -52.0172 -23.3352 -23.3352 -13.7913 -13.7913 -13.1896 -13.1896 15.5170 15.5170 19.0504 19.0504 20.2347 20.2347 23.7481 23.7481 24.4600 24.4600 24.9423 24.9423 35.1001 35.1001 k = 0.0000 0.0000 0.3762 ( 784 PWs) bands (ev): -52.0198 -52.0198 -23.3282 -23.3282 -13.7703 -13.7703 -13.1852 -13.1852 15.4584 15.4584 19.0919 19.0919 20.1877 20.1877 23.7178 23.7178 24.3935 24.3935 24.8259 24.8259 35.2383 35.2383 k = 0.0000 0.0000 0.3674 ( 788 PWs) bands (ev): -52.0223 -52.0223 -23.3212 -23.3212 -13.7488 -13.7488 -13.1808 -13.1808 15.3944 15.3944 19.1345 19.1345 20.1486 20.1486 23.6874 23.6874 24.3088 24.3088 24.7297 24.7297 35.3761 35.3761 k = 0.0000 0.0000 0.3587 ( 788 PWs) bands (ev): -52.0249 -52.0249 -23.3140 -23.3140 -13.7270 -13.7270 -13.1763 -13.1763 15.3251 15.3251 19.1781 19.1781 20.1174 20.1174 23.6570 23.6570 24.2055 24.2055 24.6548 24.6548 35.5127 35.5127 k = 0.0000 0.0000 0.3499 ( 788 PWs) bands (ev): -52.0275 -52.0275 -23.3067 -23.3067 -13.7047 -13.7047 -13.1717 -13.1717 15.2508 15.2508 19.2227 19.2227 20.0938 20.0938 23.6263 23.6263 24.0880 24.0880 24.5975 24.5975 35.6474 35.6474 k = 0.0000 0.0000 0.3412 ( 784 PWs) bands (ev): -52.0301 -52.0301 -23.2994 -23.2994 -13.6821 -13.6821 -13.1670 -13.1670 15.1718 15.1718 19.2682 19.2682 20.0775 20.0775 23.5949 23.5949 23.9627 23.9627 24.5523 24.5523 35.7795 35.7795 k = 0.0000 0.0000 0.3324 ( 784 PWs) bands (ev): -52.0328 -52.0328 -23.2920 -23.2920 -13.6593 -13.6593 -13.1623 -13.1623 15.0885 15.0885 19.3145 19.3145 20.0682 20.0682 23.5610 23.5610 23.8361 23.8361 24.5152 24.5152 35.9080 35.9080 k = 0.0000 0.0000 0.3237 ( 784 PWs) bands (ev): -52.0355 -52.0355 -23.2845 -23.2845 -13.6362 -13.6362 -13.1576 -13.1576 15.0014 15.0014 19.3615 19.3615 20.0655 20.0655 23.5193 23.5193 23.7165 23.7165 24.4833 24.4833 36.0319 36.0319 k = 0.0000 0.0000 0.3149 ( 784 PWs) bands (ev): -52.0382 -52.0382 -23.2771 -23.2771 -13.6129 -13.6129 -13.1528 -13.1528 14.9108 14.9108 19.4091 19.4091 20.0687 20.0687 23.4551 23.4551 23.6208 23.6208 24.4553 24.4553 36.1504 36.1504 k = 0.0000 0.0000 0.3062 ( 784 PWs) bands (ev): -52.0409 -52.0409 -23.2696 -23.2696 -13.5894 -13.5894 -13.1480 -13.1480 14.8173 14.8173 19.4573 19.4573 20.0774 20.0774 23.3562 23.3562 23.5625 23.5625 24.4301 24.4301 36.2623 36.2623 k = 0.0000 0.0000 0.2974 ( 784 PWs) bands (ev): -52.0435 -52.0435 -23.2622 -23.2622 -13.5659 -13.5659 -13.1432 -13.1432 14.7214 14.7214 19.5060 19.5060 20.0911 20.0911 23.2371 23.2371 23.5281 23.5281 24.4071 24.4071 36.3667 36.3667 k = 0.0000 0.0000 0.2887 ( 780 PWs) bands (ev): -52.0462 -52.0462 -23.2547 -23.2547 -13.5423 -13.5423 -13.1384 -13.1384 14.6236 14.6236 19.5550 19.5550 20.1091 20.1091 23.1118 23.1118 23.5044 23.5044 24.3861 24.3861 36.4624 36.4624 k = 0.0000 0.0000 0.2799 ( 780 PWs) bands (ev): -52.0489 -52.0489 -23.2473 -23.2473 -13.5187 -13.5187 -13.1336 -13.1336 14.5242 14.5242 19.6043 19.6043 20.1309 20.1309 22.9856 22.9856 23.4866 23.4866 24.3667 24.3667 36.5485 36.5485 k = 0.0000 0.0000 0.2712 ( 782 PWs) bands (ev): -52.0515 -52.0515 -23.2399 -23.2399 -13.4951 -13.4951 -13.1288 -13.1288 14.4239 14.4239 19.6536 19.6536 20.1558 20.1558 22.8606 22.8606 23.4733 23.4733 24.3489 24.3489 36.6241 36.6241 k = 0.0000 0.0000 0.2624 ( 778 PWs) bands (ev): -52.0542 -52.0542 -23.2326 -23.2326 -13.4716 -13.4716 -13.1240 -13.1240 14.3231 14.3231 19.7030 19.7030 20.1833 20.1833 22.7377 22.7377 23.4638 23.4638 24.3324 24.3324 36.6887 36.6887 k = 0.0000 0.0000 0.2537 ( 778 PWs) bands (ev): -52.0568 -52.0568 -23.2254 -23.2254 -13.4483 -13.4483 -13.1193 -13.1193 14.2222 14.2222 19.7523 19.7523 20.2129 20.2129 22.6176 22.6176 23.4581 23.4581 24.3172 24.3172 36.7417 36.7417 k = 0.0000 0.0000 0.2449 ( 778 PWs) bands (ev): -52.0593 -52.0593 -23.2183 -23.2183 -13.4251 -13.4251 -13.1147 -13.1147 14.1215 14.1215 19.8013 19.8013 20.2439 20.2439 22.5005 22.5005 23.4562 23.4562 24.3033 24.3033 36.7830 36.7830 k = 0.0000 0.0000 0.2362 ( 772 PWs) bands (ev): -52.0619 -52.0619 -23.2112 -23.2112 -13.4021 -13.4021 -13.1100 -13.1100 14.0216 14.0216 19.8500 19.8500 20.2758 20.2758 22.3868 22.3868 23.4581 23.4581 24.2905 24.2905 36.8125 36.8125 k = 0.0000 0.0000 0.2275 ( 772 PWs) bands (ev): -52.0643 -52.0643 -23.2043 -23.2043 -13.3795 -13.3795 -13.1055 -13.1055 13.9227 13.9227 19.8981 19.8981 20.3082 20.3082 22.2766 22.2766 23.4639 23.4639 24.2787 24.2787 36.8308 36.8308 k = 0.0000 0.0000 0.2187 ( 772 PWs) bands (ev): -52.0668 -52.0668 -23.1975 -23.1975 -13.3572 -13.3572 -13.1010 -13.1010 13.8252 13.8252 19.9455 19.9455 20.3405 20.3405 22.1702 22.1702 23.4736 23.4736 24.2681 24.2681 36.8383 36.8383 k = 0.0000 0.0000 0.2100 ( 772 PWs) bands (ev): -52.0692 -52.0692 -23.1909 -23.1909 -13.3353 -13.3353 -13.0966 -13.0966 13.7294 13.7294 19.9922 19.9922 20.3725 20.3725 22.0677 22.0677 23.4871 23.4871 24.2583 24.2583 36.8358 36.8358 k = 0.0000 0.0000 0.2012 ( 768 PWs) bands (ev): -52.0715 -52.0715 -23.1845 -23.1845 -13.3138 -13.3138 -13.0923 -13.0923 13.6356 13.6356 20.0379 20.0379 20.4035 20.4035 21.9692 21.9692 23.5045 23.5045 24.2496 24.2496 36.8245 36.8245 k = 0.0000 0.0000 0.1925 ( 772 PWs) bands (ev): -52.0738 -52.0738 -23.1782 -23.1782 -13.2928 -13.2928 -13.0881 -13.0881 13.5440 13.5440 20.0824 20.0824 20.4335 20.4335 21.8750 21.8750 23.5257 23.5257 24.2417 24.2417 36.8052 36.8052 k = 0.0000 0.0000 0.1837 ( 772 PWs) bands (ev): -52.0760 -52.0760 -23.1721 -23.1721 -13.2723 -13.2723 -13.0841 -13.0841 13.4550 13.4550 20.1257 20.1257 20.4619 20.4619 21.7851 21.7851 23.5505 23.5505 24.2346 24.2346 36.7791 36.7791 k = 0.0000 0.0000 0.1750 ( 768 PWs) bands (ev): -52.0781 -52.0781 -23.1662 -23.1662 -13.2524 -13.2524 -13.0801 -13.0801 13.3687 13.3687 20.1675 20.1675 20.4886 20.4886 21.6999 21.6999 23.5788 23.5788 24.2283 24.2283 36.7474 36.7474 k = 0.0000 0.0000 0.1662 ( 770 PWs) bands (ev): -52.0801 -52.0801 -23.1606 -23.1606 -13.2332 -13.2332 -13.0763 -13.0763 13.2854 13.2854 20.2076 20.2076 20.5133 20.5133 21.6193 21.6193 23.6102 23.6102 24.2228 24.2228 36.7112 36.7112 k = 0.0000 0.0000 0.1575 ( 762 PWs) bands (ev): -52.0821 -52.0821 -23.1550 -23.1550 -13.2145 -13.2145 -13.0726 -13.0726 13.2053 13.2053 20.2460 20.2460 20.5358 20.5358 21.5437 21.5437 23.6444 23.6444 24.2179 24.2179 36.6715 36.6715 k = 0.0000 0.0000 0.1487 ( 762 PWs) bands (ev): -52.0840 -52.0840 -23.1498 -23.1498 -13.1966 -13.1966 -13.0691 -13.0691 13.1285 13.1285 20.2825 20.2825 20.5560 20.5560 21.4733 21.4733 23.6812 23.6812 24.2137 24.2137 36.6293 36.6293 k = 0.0000 0.0000 0.1400 ( 768 PWs) bands (ev): -52.0858 -52.0858 -23.1449 -23.1449 -13.1796 -13.1796 -13.0658 -13.0658 13.0553 13.0553 20.3168 20.3168 20.5735 20.5735 21.4083 21.4083 23.7200 23.7200 24.2100 24.2100 36.5855 36.5855 k = 0.0000 0.0000 0.1312 ( 768 PWs) bands (ev): -52.0875 -52.0875 -23.1402 -23.1402 -13.1633 -13.1633 -13.0626 -13.0626 12.9858 12.9858 20.3490 20.3490 20.5883 20.5883 21.3489 21.3489 23.7604 23.7604 24.2069 24.2069 36.5408 36.5408 k = 0.0000 0.0000 0.1225 ( 774 PWs) bands (ev): -52.0892 -52.0892 -23.1358 -23.1358 -13.1479 -13.1479 -13.0596 -13.0596 12.9201 12.9201 20.3788 20.3788 20.6002 20.6002 21.2955 21.2955 23.8019 23.8019 24.2042 24.2042 36.4962 36.4962 k = 0.0000 0.0000 0.1137 ( 778 PWs) bands (ev): -52.0907 -52.0907 -23.1316 -23.1316 -13.1334 -13.1334 -13.0567 -13.0567 12.8583 12.8583 20.4062 20.4062 20.6089 20.6089 21.2482 21.2482 23.8438 23.8438 24.2020 24.2020 36.4522 36.4522 k = 0.0000 0.0000 0.1050 ( 778 PWs) bands (ev): -52.0921 -52.0921 -23.1277 -23.1277 -13.1197 -13.1197 -13.0540 -13.0540 12.8007 12.8007 20.4311 20.4311 20.6144 20.6144 21.2073 21.2073 23.8858 23.8858 24.2001 24.2001 36.4094 36.4094 k = 0.0000 0.0000 0.0962 ( 777 PWs) bands (ev): -52.0934 -52.0934 -23.1241 -23.1241 -13.1071 -13.1071 -13.0515 -13.0515 12.7473 12.7473 20.4535 20.4535 20.6166 20.6166 21.1728 21.1728 23.9272 23.9272 24.1986 24.1986 36.3683 36.3683 k = 0.0000 0.0000 0.0875 ( 777 PWs) bands (ev): -52.0946 -52.0946 -23.1207 -23.1207 -13.0954 -13.0954 -13.0492 -13.0492 12.6982 12.6982 20.4735 20.4735 20.6158 20.6158 21.1446 21.1446 23.9674 23.9674 24.1974 24.1974 36.3295 36.3295 k = 0.0000 0.0000 0.0787 ( 777 PWs) bands (ev): -52.0957 -52.0957 -23.1177 -23.1177 -13.0847 -13.0847 -13.0472 -13.0472 12.6535 12.6535 20.4911 20.4911 20.6121 20.6121 21.1222 21.1222 24.0058 24.0058 24.1965 24.1965 36.2932 36.2932 k = 0.0000 0.0000 0.0700 ( 777 PWs) bands (ev): -52.0967 -52.0967 -23.1149 -23.1149 -13.0751 -13.0751 -13.0453 -13.0453 12.6133 12.6133 20.5063 20.5063 20.6063 20.6063 21.1051 21.1051 24.0420 24.0420 24.1957 24.1957 36.2599 36.2599 k = 0.0000 0.0000 0.0612 ( 777 PWs) bands (ev): -52.0976 -52.0976 -23.1125 -23.1125 -13.0665 -13.0665 -13.0436 -13.0436 12.5776 12.5776 20.5194 20.5194 20.5988 20.5988 21.0926 21.0926 24.0753 24.0753 24.1951 24.1951 36.2299 36.2299 k = 0.0000 0.0000 0.0525 ( 777 PWs) bands (ev): -52.0984 -52.0984 -23.1104 -23.1104 -13.0590 -13.0590 -13.0422 -13.0422 12.5466 12.5466 20.5304 20.5304 20.5906 20.5906 21.0839 21.0839 24.1052 24.1052 24.1947 24.1947 36.2034 36.2034 k = 0.0000 0.0000 0.0437 ( 773 PWs) bands (ev): -52.0990 -52.0990 -23.1086 -23.1086 -13.0526 -13.0526 -13.0409 -13.0409 12.5203 12.5203 20.5394 20.5394 20.5823 20.5823 21.0780 21.0780 24.1314 24.1314 24.1944 24.1944 36.1806 36.1806 k = 0.0000 0.0000 0.0350 ( 773 PWs) bands (ev): -52.0996 -52.0996 -23.1071 -23.1071 -13.0474 -13.0474 -13.0399 -13.0399 12.4987 12.4987 20.5466 20.5466 20.5746 20.5746 21.0742 21.0742 24.1534 24.1534 24.1942 24.1942 36.1617 36.1617 k = 0.0000 0.0000 0.0262 ( 769 PWs) bands (ev): -52.1000 -52.1000 -23.1059 -23.1059 -13.0433 -13.0433 -13.0391 -13.0391 12.4818 12.4818 20.5521 20.5521 20.5681 20.5681 21.0720 21.0720 24.1709 24.1709 24.1940 24.1940 36.1469 36.1469 k = 0.0000 0.0000 0.0175 ( 767 PWs) bands (ev): -52.1003 -52.1003 -23.1051 -23.1051 -13.0404 -13.0404 -13.0385 -13.0385 12.4698 12.4698 20.5560 20.5560 20.5631 20.5631 21.0707 21.0707 24.1836 24.1836 24.1939 24.1939 36.1362 36.1362 k = 0.0000 0.0000 0.0087 ( 767 PWs) bands (ev): -52.1004 -52.1004 -23.1046 -23.1046 -13.0386 -13.0386 -13.0381 -13.0381 12.4625 12.4625 20.5582 20.5582 20.5600 20.5600 21.0701 21.0701 24.1913 24.1913 24.1939 24.1939 36.1297 36.1303 k = 0.0000 0.0000 0.0000 ( 767 PWs) bands (ev): -52.1005 -52.1005 -23.1044 -23.1044 -13.0380 -13.0380 -13.0380 -13.0380 12.4601 12.4601 20.5590 20.5590 20.5590 20.5590 21.0699 21.0699 24.1938 24.1938 24.1938 24.1938 36.1276 36.1276 k = 0.0000 0.0000 0.0000 ( 767 PWs) bands (ev): -52.1005 -52.1005 -23.1044 -23.1044 -13.0380 -13.0380 -13.0380 -13.0380 12.4601 12.4601 20.5590 20.5590 20.5590 20.5590 21.0699 21.0699 24.1938 24.1938 24.1938 24.1938 36.1276 36.1276 k = 0.0029 0.0041 0.0071 ( 767 PWs) bands (ev): -52.1004 -52.1004 -23.1046 -23.1046 -13.0386 -13.0386 -13.0381 -13.0381 12.4625 12.4625 20.5581 20.5581 20.5601 20.5601 21.0701 21.0701 24.1923 24.1923 24.1929 24.1929 36.1291 36.1291 k = 0.0058 0.0082 0.0142 ( 767 PWs) bands (ev): -52.1003 -52.1003 -23.1051 -23.1051 -13.0405 -13.0405 -13.0384 -13.0384 12.4697 12.4697 20.5556 20.5556 20.5635 20.5635 21.0707 21.0707 24.1875 24.1875 24.1900 24.1900 36.1335 36.1335 k = 0.0087 0.0123 0.0214 ( 773 PWs) bands (ev): -52.1000 -52.1000 -23.1059 -23.1059 -13.0436 -13.0436 -13.0388 -13.0388 12.4817 12.4817 20.5513 20.5513 20.5688 20.5688 21.0721 21.0721 24.1797 24.1797 24.1854 24.1854 36.1408 36.1408 k = 0.0116 0.0164 0.0285 ( 773 PWs) bands (ev): -52.0996 -52.0996 -23.1071 -23.1071 -13.0478 -13.0478 -13.0394 -13.0394 12.4984 12.4984 20.5452 20.5452 20.5755 20.5755 21.0746 21.0746 24.1690 24.1690 24.1790 24.1790 36.1511 36.1511 k = 0.0145 0.0206 0.0356 ( 773 PWs) bands (ev): -52.0990 -52.0990 -23.1085 -23.1085 -13.0533 -13.0533 -13.0402 -13.0402 12.5199 12.5199 20.5374 20.5374 20.5831 20.5831 21.0790 21.0790 24.1555 24.1555 24.1710 24.1710 36.1643 36.1643 k = 0.0174 0.0247 0.0427 ( 773 PWs) bands (ev): -52.0984 -52.0984 -23.1103 -23.1103 -13.0599 -13.0599 -13.0411 -13.0411 12.5461 12.5461 20.5278 20.5278 20.5905 20.5905 21.0861 21.0861 24.1395 24.1395 24.1617 24.1617 36.1804 36.1804 k = 0.0203 0.0288 0.0498 ( 773 PWs) bands (ev): -52.0976 -52.0976 -23.1124 -23.1124 -13.0676 -13.0676 -13.0422 -13.0422 12.5769 12.5769 20.5163 20.5163 20.5968 20.5968 21.0971 21.0971 24.1212 24.1212 24.1512 24.1512 36.1995 36.1995 k = 0.0233 0.0329 0.0570 ( 773 PWs) bands (ev): -52.0968 -52.0968 -23.1148 -23.1148 -13.0765 -13.0765 -13.0435 -13.0435 12.6123 12.6123 20.5030 20.5030 20.6007 20.6007 21.1129 21.1129 24.1010 24.1010 24.1399 24.1399 36.2215 36.2215 k = 0.0262 0.0370 0.0641 ( 773 PWs) bands (ev): -52.0958 -52.0958 -23.1175 -23.1175 -13.0865 -13.0865 -13.0449 -13.0449 12.6522 12.6522 20.4877 20.4877 20.6011 20.6011 21.1349 21.1349 24.0791 24.0791 24.1279 24.1279 36.2465 36.2465 k = 0.0291 0.0411 0.0712 ( 773 PWs) bands (ev): -52.0947 -52.0947 -23.1206 -23.1206 -13.0975 -13.0975 -13.0465 -13.0465 12.6966 12.6966 20.4705 20.4705 20.5971 20.5971 21.1638 21.1638 24.0558 24.0558 24.1155 24.1155 36.2744 36.2744 k = 0.0320 0.0452 0.0783 ( 773 PWs) bands (ev): -52.0935 -52.0935 -23.1239 -23.1239 -13.1095 -13.1095 -13.0483 -13.0483 12.7453 12.7453 20.4512 20.4512 20.5881 20.5881 21.2003 21.2003 24.0316 24.0316 24.1030 24.1030 36.3052 36.3052 k = 0.0349 0.0493 0.0854 ( 773 PWs) bands (ev): -52.0922 -52.0922 -23.1275 -23.1275 -13.1226 -13.1226 -13.0503 -13.0503 12.7983 12.7983 20.4299 20.4299 20.5739 20.5739 21.2446 21.2446 24.0068 24.0068 24.0908 24.0908 36.3390 36.3390 k = 0.0378 0.0534 0.0926 ( 767 PWs) bands (ev): -52.0907 -52.0907 -23.1313 -23.1313 -13.1365 -13.1365 -13.0525 -13.0525 12.8556 12.8556 20.4066 20.4066 20.5546 20.5546 21.2967 21.2967 23.9818 23.9818 24.0790 24.0790 36.3757 36.3757 k = 0.0407 0.0576 0.0997 ( 773 PWs) bands (ev): -52.0893 -52.0893 -23.1355 -23.1355 -13.1514 -13.1514 -13.0549 -13.0549 12.9169 12.9169 20.3811 20.3811 20.5304 20.5304 21.3564 21.3564 23.9569 23.9569 24.0680 24.0680 36.4153 36.4153 k = 0.0436 0.0617 0.1068 ( 770 PWs) bands (ev): -52.0877 -52.0877 -23.1399 -23.1399 -13.1670 -13.1670 -13.0575 -13.0575 12.9823 12.9823 20.3536 20.3536 20.5015 20.5015 21.4233 21.4233 23.9324 23.9324 24.0580 24.0580 36.4579 36.4579 k = 0.0465 0.0658 0.1139 ( 770 PWs) bands (ev): -52.0860 -52.0860 -23.1446 -23.1446 -13.1836 -13.1836 -13.0602 -13.0602 13.0515 13.0515 20.3240 20.3240 20.4686 20.4686 21.4973 21.4973 23.9086 23.9086 24.0492 24.0492 36.5034 36.5034 k = 0.0494 0.0699 0.1211 ( 776 PWs) bands (ev): -52.0842 -52.0842 -23.1496 -23.1496 -13.2009 -13.2009 -13.0632 -13.0632 13.1245 13.1245 20.2923 20.2923 20.4318 20.4318 21.5778 21.5778 23.8859 23.8859 24.0419 24.0419 36.5518 36.5518 k = 0.0523 0.0740 0.1282 ( 770 PWs) bands (ev): -52.0823 -52.0823 -23.1547 -23.1547 -13.2189 -13.2189 -13.0663 -13.0663 13.2012 13.2012 20.2586 20.2586 20.3916 20.3916 21.6648 21.6648 23.8646 23.8646 24.0361 24.0361 36.6032 36.6032 k = 0.0552 0.0781 0.1353 ( 770 PWs) bands (ev): -52.0804 -52.0804 -23.1601 -23.1601 -13.2375 -13.2375 -13.0697 -13.0697 13.2814 13.2814 20.2228 20.2228 20.3483 20.3483 21.7580 21.7580 23.8449 23.8449 24.0322 24.0322 36.6574 36.6574 k = 0.0581 0.0822 0.1424 ( 770 PWs) bands (ev): -52.0784 -52.0784 -23.1657 -23.1657 -13.2567 -13.2567 -13.0732 -13.0732 13.3650 13.3650 20.1852 20.1852 20.3021 20.3021 21.8571 21.8571 23.8269 23.8269 24.0302 24.0302 36.7147 36.7147 k = 0.0610 0.0863 0.1495 ( 776 PWs) bands (ev): -52.0763 -52.0763 -23.1715 -23.1715 -13.2765 -13.2765 -13.0770 -13.0770 13.4520 13.4520 20.1457 20.1457 20.2535 20.2535 21.9620 21.9620 23.8109 23.8109 24.0302 24.0302 36.7748 36.7748 k = 0.0640 0.0904 0.1567 ( 776 PWs) bands (ev): -52.0741 -52.0741 -23.1775 -23.1775 -13.2967 -13.2967 -13.0810 -13.0810 13.5421 13.5421 20.1045 20.1045 20.2026 20.2026 22.0726 22.0726 23.7970 23.7970 24.0324 24.0324 36.8379 36.8379 k = 0.0669 0.0946 0.1638 ( 776 PWs) bands (ev): -52.0719 -52.0719 -23.1837 -23.1837 -13.3173 -13.3173 -13.0852 -13.0852 13.6352 13.6352 20.0617 20.0617 20.1498 20.1498 22.1886 22.1886 23.7854 23.7854 24.0368 24.0368 36.9039 36.9039 k = 0.0698 0.0987 0.1709 ( 764 PWs) bands (ev): -52.0696 -52.0696 -23.1900 -23.1900 -13.3382 -13.3382 -13.0896 -13.0896 13.7313 13.7313 20.0175 20.0175 20.0953 20.0953 22.3099 22.3099 23.7762 23.7762 24.0436 24.0436 36.9729 36.9729 k = 0.0727 0.1028 0.1780 ( 764 PWs) bands (ev): -52.0673 -52.0673 -23.1965 -23.1965 -13.3595 -13.3595 -13.0942 -13.0942 13.8301 13.8301 19.9719 19.9719 20.0393 20.0393 22.4363 22.4363 23.7693 23.7693 24.0527 24.0527 37.0447 37.0447 k = 0.0756 0.1069 0.1851 ( 772 PWs) bands (ev): -52.0649 -52.0649 -23.2032 -23.2032 -13.3811 -13.3811 -13.0992 -13.0992 13.9316 13.9316 19.9251 19.9251 19.9821 19.9821 22.5677 22.5677 23.7648 23.7648 24.0642 24.0642 37.1195 37.1195 k = 0.0785 0.1110 0.1923 ( 772 PWs) bands (ev): -52.0625 -52.0625 -23.2100 -23.2100 -13.4029 -13.4029 -13.1043 -13.1043 14.0356 14.0356 19.8773 19.8773 19.9240 19.9240 22.7038 22.7038 23.7628 23.7628 24.0784 24.0784 37.1973 37.1973 k = 0.0814 0.1151 0.1994 ( 772 PWs) bands (ev): -52.0600 -52.0600 -23.2168 -23.2168 -13.4247 -13.4247 -13.1097 -13.1097 14.1420 14.1420 19.8288 19.8288 19.8651 19.8651 22.8443 22.8443 23.7632 23.7632 24.0953 24.0953 37.2779 37.2779 k = 0.0843 0.1192 0.2065 ( 772 PWs) bands (ev): -52.0575 -52.0575 -23.2238 -23.2238 -13.4467 -13.4467 -13.1153 -13.1153 14.2507 14.2507 19.7796 19.7796 19.8057 19.8057 22.9887 22.9887 23.7661 23.7661 24.1153 24.1153 37.3615 37.3615 k = 0.0872 0.1233 0.2136 ( 772 PWs) bands (ev): -52.0550 -52.0550 -23.2309 -23.2309 -13.4686 -13.4686 -13.1212 -13.1212 14.3615 14.3615 19.7299 19.7299 19.7460 19.7460 23.1366 23.1366 23.7712 23.7712 24.1386 24.1386 37.4480 37.4480 k = 0.0901 0.1274 0.2207 ( 772 PWs) bands (ev): -52.0524 -52.0524 -23.2380 -23.2380 -13.4905 -13.4905 -13.1272 -13.1272 14.4743 14.4743 19.6800 19.6800 19.6862 19.6862 23.2869 23.2869 23.7787 23.7787 24.1661 24.1661 37.5374 37.5374 k = 0.0930 0.1316 0.2279 ( 778 PWs) bands (ev): -52.0499 -52.0499 -23.2453 -23.2453 -13.5125 -13.5125 -13.1336 -13.1336 14.5889 14.5889 19.6265 19.6265 19.6301 19.6301 23.4385 23.4385 23.7884 23.7884 24.1989 24.1989 37.6297 37.6297 k = 0.0959 0.1357 0.2350 ( 778 PWs) bands (ev): -52.0473 -52.0473 -23.2525 -23.2525 -13.5342 -13.5342 -13.1402 -13.1402 14.7054 14.7054 19.5671 19.5671 19.5802 19.5802 23.5888 23.5888 23.8002 23.8002 24.2391 24.2391 37.7250 37.7250 k = 0.0988 0.1398 0.2421 ( 772 PWs) bands (ev): -52.0446 -52.0446 -23.2597 -23.2597 -13.5556 -13.5556 -13.1470 -13.1470 14.8234 14.8234 19.5082 19.5082 19.5306 19.5306 23.7339 23.7339 23.8140 23.8140 24.2906 24.2906 37.8232 37.8232 k = 0.1017 0.1439 0.2492 ( 784 PWs) bands (ev): -52.0421 -52.0421 -23.2671 -23.2671 -13.5770 -13.5770 -13.1542 -13.1542 14.9430 14.9430 19.4499 19.4499 19.4814 19.4814 23.8298 23.8298 23.8676 23.8676 24.3593 24.3593 37.7928 37.7928 k = 0.1047 0.1480 0.2563 ( 784 PWs) bands (ev): -52.0395 -52.0395 -23.2744 -23.2744 -13.5980 -13.5980 -13.1615 -13.1615 15.0639 15.0639 19.3925 19.3925 19.4329 19.4329 23.8474 23.8474 23.9820 23.9820 24.4528 24.4528 37.6946 37.6946 k = 0.1076 0.1521 0.2635 ( 784 PWs) bands (ev): -52.0369 -52.0369 -23.2817 -23.2817 -13.6186 -13.6186 -13.1692 -13.1692 15.1861 15.1861 19.3360 19.3360 19.3852 19.3852 23.8668 23.8668 24.0729 24.0729 24.5751 24.5751 37.5882 37.5882 k = 0.1105 0.1562 0.2706 ( 784 PWs) bands (ev): -52.0343 -52.0343 -23.2889 -23.2889 -13.6389 -13.6389 -13.1770 -13.1770 15.3094 15.3094 19.2806 19.2806 19.3383 19.3383 23.8878 23.8878 24.1431 24.1431 24.7232 24.7232 37.4740 37.4740 k = 0.1134 0.1603 0.2777 ( 784 PWs) bands (ev): -52.0317 -52.0317 -23.2961 -23.2961 -13.6588 -13.6588 -13.1852 -13.1852 15.4338 15.4338 19.2264 19.2264 19.2926 19.2926 23.9103 23.9103 24.1993 24.1993 24.8901 24.8901 37.3526 37.3526 k = 0.1163 0.1644 0.2848 ( 784 PWs) bands (ev): -52.0292 -52.0292 -23.3032 -23.3032 -13.6782 -13.6782 -13.1936 -13.1936 15.5590 15.5590 19.1737 19.1737 19.2480 19.2480 23.9342 23.9342 24.2470 24.2470 25.0698 25.0698 37.2238 37.2238 k = 0.1192 0.1686 0.2919 ( 784 PWs) bands (ev): -52.0266 -52.0266 -23.3103 -23.3103 -13.6971 -13.6971 -13.2022 -13.2022 15.6851 15.6851 19.1224 19.1224 19.2048 19.2048 23.9594 23.9594 24.2898 24.2898 25.2587 25.2587 37.0873 37.0873 k = 0.1221 0.1727 0.2991 ( 784 PWs) bands (ev): -52.0241 -52.0241 -23.3173 -23.3173 -13.7154 -13.7154 -13.2111 -13.2111 15.8117 15.8117 19.0727 19.0727 19.1631 19.1631 23.9858 23.9858 24.3297 24.3297 25.4543 25.4543 36.9421 36.9421 k = 0.1250 0.1768 0.3062 ( 784 PWs) bands (ev): -52.0216 -52.0216 -23.3242 -23.3242 -13.7332 -13.7332 -13.2203 -13.2203 15.9389 15.9389 19.0246 19.0246 19.1229 19.1229 24.0133 24.0133 24.3678 24.3678 25.6553 25.6553 36.7868 36.7868 k = 0.1279 0.1809 0.3133 ( 784 PWs) bands (ev): -52.0192 -52.0192 -23.3309 -23.3309 -13.7504 -13.7504 -13.2297 -13.2297 16.0664 16.0664 18.9784 18.9784 19.0843 19.0843 24.0417 24.0417 24.4047 24.4047 25.8607 25.8607 36.6189 36.6189 k = 0.1308 0.1850 0.3204 ( 784 PWs) bands (ev): -52.0168 -52.0168 -23.3376 -23.3376 -13.7669 -13.7669 -13.2394 -13.2394 16.1942 16.1942 18.9341 18.9341 19.0475 19.0475 24.0710 24.0710 24.4408 24.4408 26.0696 26.0696 36.4358 36.4358 k = 0.1337 0.1891 0.3275 ( 784 PWs) bands (ev): -52.0145 -52.0145 -23.3441 -23.3441 -13.7828 -13.7828 -13.2493 -13.2493 16.3221 16.3221 18.8917 18.8917 19.0125 19.0125 24.1011 24.1011 24.4764 24.4764 26.2817 26.2817 36.2344 36.2344 k = 0.1366 0.1932 0.3347 ( 784 PWs) bands (ev): -52.0122 -52.0122 -23.3505 -23.3505 -13.7980 -13.7980 -13.2594 -13.2594 16.4499 16.4499 18.8514 18.8514 18.9794 18.9794 24.1319 24.1319 24.5114 24.5114 26.4964 26.4964 36.0126 36.0126 k = 0.1395 0.1973 0.3418 ( 778 PWs) bands (ev): -52.0099 -52.0099 -23.3567 -23.3567 -13.8124 -13.8124 -13.2698 -13.2698 16.5775 16.5775 18.8132 18.8132 18.9483 18.9483 24.1633 24.1633 24.5461 24.5461 26.7133 26.7133 35.7698 35.7698 k = 0.1424 0.2014 0.3489 ( 784 PWs) bands (ev): -52.0077 -52.0077 -23.3628 -23.3628 -13.8262 -13.8262 -13.2805 -13.2805 16.7047 16.7047 18.7773 18.7773 18.9192 18.9192 24.1951 24.1951 24.5802 24.5802 26.9320 26.9320 35.5078 35.5078 k = 0.1453 0.2056 0.3560 ( 784 PWs) bands (ev): -52.0056 -52.0056 -23.3688 -23.3688 -13.8391 -13.8391 -13.2914 -13.2914 16.8314 16.8314 18.7436 18.7436 18.8921 18.8921 24.2273 24.2273 24.6140 24.6140 27.1521 27.1521 35.2301 35.2301 k = 0.1483 0.2097 0.3632 ( 784 PWs) bands (ev): -52.0035 -52.0035 -23.3745 -23.3745 -13.8513 -13.8513 -13.3025 -13.3025 16.9572 16.9572 18.7123 18.7123 18.8672 18.8672 24.2598 24.2598 24.6472 24.6472 27.3733 27.3733 34.9405 34.9405 k = 0.1512 0.2138 0.3703 ( 784 PWs) bands (ev): -52.0015 -52.0015 -23.3801 -23.3801 -13.8627 -13.8627 -13.3139 -13.3139 17.0820 17.0820 18.6834 18.6834 18.8444 18.8444 24.2926 24.2926 24.6799 24.6799 27.5951 27.5951 34.6431 34.6431 k = 0.1541 0.2179 0.3774 ( 784 PWs) bands (ev): -51.9995 -51.9995 -23.3854 -23.3854 -13.8732 -13.8732 -13.3254 -13.3254 17.2055 17.2055 18.6571 18.6571 18.8238 18.8238 24.3254 24.3254 24.7120 24.7120 27.8172 27.8172 34.3410 34.3410 k = 0.1570 0.2220 0.3845 ( 784 PWs) bands (ev): -51.9976 -51.9976 -23.3906 -23.3906 -13.8829 -13.8829 -13.3372 -13.3372 17.3273 17.3273 18.6335 18.6335 18.8054 18.8054 24.3583 24.3583 24.7435 24.7435 28.0393 28.0393 34.0368 34.0368 k = 0.1599 0.2261 0.3916 ( 784 PWs) bands (ev): -51.9958 -51.9958 -23.3956 -23.3956 -13.8918 -13.8918 -13.3492 -13.3492 17.4473 17.4473 18.6128 18.6128 18.7891 18.7891 24.3912 24.3912 24.7742 24.7742 28.2609 28.2609 33.7325 33.7325 k = 0.1628 0.2302 0.3988 ( 784 PWs) bands (ev): -51.9940 -51.9940 -23.4004 -23.4004 -13.8998 -13.8998 -13.3614 -13.3614 17.5647 17.5647 18.5953 18.5953 18.7751 18.7751 24.4240 24.4240 24.8042 24.8042 28.4816 28.4816 33.4299 33.4299 k = 0.1657 0.2343 0.4059 ( 790 PWs) bands (ev): -51.9924 -51.9924 -23.4050 -23.4050 -13.9069 -13.9069 -13.3738 -13.3738 17.6792 17.6792 18.5812 18.5812 18.7634 18.7634 24.4566 24.4566 24.8334 24.8334 28.7010 28.7010 33.1302 33.1302 k = 0.1686 0.2384 0.4130 ( 790 PWs) bands (ev): -51.9908 -51.9908 -23.4094 -23.4094 -13.9132 -13.9132 -13.3864 -13.3864 17.7899 17.7899 18.5710 18.5710 18.7538 18.7538 24.4890 24.4890 24.8616 24.8616 28.9186 28.9186 32.8346 32.8346 k = 0.1715 0.2426 0.4201 ( 784 PWs) bands (ev): -51.9892 -51.9892 -23.4134 -23.4134 -13.9185 -13.9185 -13.3990 -13.3990 17.8957 17.8957 18.5657 18.5657 18.7464 18.7464 24.5211 24.5211 24.8889 24.8889 29.1339 29.1339 32.5442 32.5442 k = 0.1744 0.2467 0.4272 ( 784 PWs) bands (ev): -51.9878 -51.9878 -23.4174 -23.4174 -13.9230 -13.9230 -13.4119 -13.4119 17.9952 17.9952 18.5663 18.5663 18.7412 18.7412 24.5529 24.5529 24.9152 24.9152 29.3463 29.3463 32.2600 32.2600 k = 0.1773 0.2508 0.4344 ( 784 PWs) bands (ev): -51.9864 -51.9864 -23.4211 -23.4211 -13.9266 -13.9266 -13.4250 -13.4250 18.0861 18.0861 18.5747 18.5747 18.7381 18.7381 24.5842 24.5842 24.9404 24.9404 29.5549 29.5549 31.9832 31.9832 k = 0.1802 0.2549 0.4415 ( 784 PWs) bands (ev): -51.9851 -51.9851 -23.4246 -23.4246 -13.9294 -13.9294 -13.4382 -13.4382 18.1657 18.1657 18.5935 18.5935 18.7372 18.7372 24.6151 24.6151 24.9646 24.9646 29.7584 29.7584 31.7155 31.7155 k = 0.1831 0.2590 0.4486 ( 781 PWs) bands (ev): -51.9838 -51.9838 -23.4279 -23.4279 -13.9312 -13.9312 -13.4515 -13.4515 18.2310 18.2310 18.6251 18.6251 18.7384 18.7384 24.6455 24.6455 24.9876 24.9876 29.9544 29.9544 31.4596 31.4596 k = 0.1860 0.2631 0.4557 ( 781 PWs) bands (ev): -51.9827 -51.9827 -23.4310 -23.4310 -13.9322 -13.9322 -13.4650 -13.4650 18.2807 18.2807 18.6705 18.6705 18.7416 18.7416 24.6754 24.6754 25.0094 25.0094 30.1372 30.1372 31.2214 31.2214 k = 0.1890 0.2672 0.4628 ( 781 PWs) bands (ev): -51.9816 -51.9816 -23.4338 -23.4338 -13.9323 -13.9323 -13.4786 -13.4786 18.3165 18.3165 18.7276 18.7276 18.7468 18.7468 24.7047 24.7047 25.0300 25.0300 30.2903 30.2903 31.0179 31.0179 k = 0.1919 0.2713 0.4700 ( 781 PWs) bands (ev): -51.9806 -51.9806 -23.4365 -23.4365 -13.9315 -13.9315 -13.4923 -13.4923 18.3421 18.3421 18.7540 18.7540 18.7922 18.7922 24.7333 24.7333 25.0493 25.0493 30.3598 30.3598 30.9031 30.9031 k = 0.1948 0.2754 0.4771 ( 781 PWs) bands (ev): -51.9797 -51.9797 -23.4390 -23.4390 -13.9300 -13.9300 -13.5060 -13.5060 18.3613 18.3613 18.7630 18.7630 18.8601 18.8601 24.7613 24.7613 25.0674 25.0674 30.2804 30.2804 30.9428 30.9428 k = 0.1977 0.2796 0.4842 ( 781 PWs) bands (ev): -51.9788 -51.9788 -23.4413 -23.4413 -13.9275 -13.9275 -13.5199 -13.5199 18.3768 18.3768 18.7740 18.7740 18.9281 18.9281 24.7887 24.7887 25.0841 25.0841 30.1138 30.1138 31.0755 31.0755 k = 0.2006 0.2837 0.4913 ( 781 PWs) bands (ev): -51.9780 -51.9780 -23.4434 -23.4434 -13.9243 -13.9243 -13.5338 -13.5338 18.3905 18.3905 18.7866 18.7866 18.9939 18.9939 24.8153 24.8153 25.0995 25.0995 29.9258 29.9258 31.2360 31.2360 k = 0.2035 0.2878 0.4984 ( 778 PWs) bands (ev): -51.9773 -51.9773 -23.4452 -23.4452 -13.9203 -13.9203 -13.5477 -13.5477 18.4034 18.4034 18.8010 18.8010 19.0559 19.0559 24.8412 24.8412 25.1136 25.1136 29.7371 29.7371 31.4036 31.4036 k = 0.2064 0.2919 0.5056 ( 778 PWs) bands (ev): -51.9766 -51.9766 -23.4470 -23.4470 -13.9155 -13.9155 -13.5618 -13.5618 18.4162 18.4162 18.8171 18.8171 19.1131 19.1131 24.8664 24.8664 25.1263 25.1263 29.5548 29.5548 31.5719 31.5719 k = 0.2093 0.2960 0.5127 ( 778 PWs) bands (ev): -51.9760 -51.9760 -23.4485 -23.4485 -13.9099 -13.9099 -13.5758 -13.5758 18.4293 18.4293 18.8346 18.8346 19.1646 19.1646 24.8908 24.8908 25.1376 25.1376 29.3816 29.3816 31.7384 31.7384 k = 0.2122 0.3001 0.5198 ( 778 PWs) bands (ev): -51.9755 -51.9755 -23.4499 -23.4499 -13.9036 -13.9036 -13.5899 -13.5899 18.4428 18.4428 18.8537 18.8537 19.2097 19.2097 24.9144 24.9144 25.1475 25.1475 29.2192 29.2192 31.9020 31.9020 k = 0.2151 0.3042 0.5269 ( 778 PWs) bands (ev): -51.9750 -51.9750 -23.4511 -23.4511 -13.8965 -13.8965 -13.6040 -13.6040 18.4570 18.4570 18.8741 18.8741 19.2481 19.2481 24.9372 24.9372 25.1560 25.1560 29.0684 29.0684 32.0620 32.0620 k = 0.2180 0.3083 0.5340 ( 778 PWs) bands (ev): -51.9746 -51.9746 -23.4522 -23.4522 -13.8888 -13.8888 -13.6180 -13.6180 18.4717 18.4717 18.8958 18.8958 19.2793 19.2793 24.9592 24.9592 25.1631 25.1631 28.9298 28.9298 32.2182 32.2182 k = 0.2209 0.3124 0.5412 ( 778 PWs) bands (ev): -51.9742 -51.9742 -23.4532 -23.4532 -13.8805 -13.8805 -13.6321 -13.6321 18.4870 18.4870 18.9187 18.9187 19.3031 19.3031 24.9803 24.9803 25.1687 25.1687 28.8038 28.8038 32.3704 32.3704 k = 0.2238 0.3166 0.5483 ( 778 PWs) bands (ev): -51.9739 -51.9739 -23.4540 -23.4540 -13.8715 -13.8715 -13.6461 -13.6461 18.5027 18.5027 18.9427 18.9427 19.3194 19.3194 25.0006 25.0006 25.1728 25.1728 28.6908 28.6908 32.5183 32.5183 k = 0.2267 0.3207 0.5554 ( 778 PWs) bands (ev): -51.9736 -51.9736 -23.4546 -23.4546 -13.8619 -13.8619 -13.6601 -13.6601 18.5187 18.5187 18.9677 18.9677 19.3284 19.3284 25.0200 25.0200 25.1755 25.1755 28.5908 28.5908 32.6619 32.6619 k = 0.2297 0.3248 0.5625 ( 784 PWs) bands (ev): -51.9734 -51.9734 -23.4553 -23.4553 -13.8518 -13.8518 -13.6740 -13.6740 18.5348 18.5348 18.9935 18.9936 19.3300 19.3300 25.0385 25.0385 25.1766 25.1766 28.5039 28.5039 32.8007 32.8007 k = 0.2326 0.3289 0.5696 ( 784 PWs) bands (ev): -51.9732 -51.9732 -23.4557 -23.4557 -13.8412 -13.8412 -13.6878 -13.6878 18.5508 18.5508 19.0202 19.0202 19.3247 19.3247 25.0561 25.0561 25.1762 25.1762 28.4298 28.4298 32.9341 32.9341 k = 0.2355 0.3330 0.5768 ( 784 PWs) bands (ev): -51.9731 -51.9731 -23.4561 -23.4561 -13.8301 -13.8301 -13.7016 -13.7016 18.5662 18.5662 19.0475 19.0475 19.3129 19.3129 25.0727 25.0727 25.1742 25.1742 28.3684 28.3684 33.0608 33.0608 k = 0.2384 0.3371 0.5839 ( 784 PWs) bands (ev): -51.9730 -51.9730 -23.4564 -23.4564 -13.8185 -13.8185 -13.7152 -13.7152 18.5806 18.5806 19.0753 19.0753 19.2954 19.2954 25.0884 25.0884 25.1707 25.1707 28.3194 28.3194 33.1782 33.1782 k = 0.2413 0.3412 0.5910 ( 784 PWs) bands (ev): -51.9729 -51.9729 -23.4566 -23.4566 -13.8065 -13.8065 -13.7288 -13.7288 18.5935 18.5935 19.1035 19.1035 19.2730 19.2730 25.1030 25.1030 25.1655 25.1655 28.2823 28.2823 33.2817 33.2817 k = 0.2442 0.3453 0.5981 ( 784 PWs) bands (ev): -51.9729 -51.9729 -23.4567 -23.4567 -13.7942 -13.7942 -13.7422 -13.7422 18.6041 18.6041 19.1320 19.1320 19.2469 19.2469 25.1166 25.1166 25.1588 25.1588 28.2566 28.2566 33.3631 33.3631 k = 0.2471 0.3494 0.6053 ( 784 PWs) bands (ev): -51.9728 -51.9728 -23.4568 -23.4568 -13.7815 -13.7815 -13.7554 -13.7554 18.6113 18.6113 19.1607 19.1607 19.2184 19.2184 25.1291 25.1291 25.1504 25.1504 28.2416 28.2416 33.4129 33.4129 k = 0.2500 0.3536 0.6124 ( 784 PWs) bands (ev): -51.9728 -51.9728 -23.4568 -23.4568 -13.7686 -13.7686 -13.7686 -13.7686 18.6140 18.6140 19.1894 19.1894 19.1894 19.1894 25.1405 25.1405 25.1405 25.1405 28.2368 28.2368 33.4282 33.4282 k = 0.2500 0.3536 0.6124 ( 784 PWs) bands (ev): -51.9728 -51.9728 -23.4568 -23.4568 -13.7686 -13.7686 -13.7686 -13.7686 18.6140 18.6140 19.1894 19.1894 19.1894 19.1894 25.1405 25.1405 25.1405 25.1405 28.2368 28.2368 33.4282 33.4282 k = 0.2529 0.3453 0.6124 ( 784 PWs) bands (ev): -51.9728 -51.9728 -23.4568 -23.4568 -13.7815 -13.7815 -13.7554 -13.7554 18.6108 18.6108 19.1617 19.1617 19.2180 19.2180 25.1289 25.1289 25.1506 25.1506 28.2414 28.2414 33.4166 33.4166 k = 0.2558 0.3371 0.6124 ( 784 PWs) bands (ev): -51.9728 -51.9728 -23.4567 -23.4567 -13.7943 -13.7943 -13.7421 -13.7421 18.6002 18.6002 19.1374 19.1374 19.2464 19.2464 25.1157 25.1157 25.1596 25.1596 28.2546 28.2546 33.3884 33.3884 k = 0.2587 0.3289 0.6124 ( 784 PWs) bands (ev): -51.9729 -51.9729 -23.4567 -23.4567 -13.8069 -13.8069 -13.7286 -13.7286 18.5811 18.5811 19.1182 19.1182 19.2744 19.2744 25.1009 25.1009 25.1672 25.1672 28.2758 28.2758 33.3511 33.3511 k = 0.2616 0.3207 0.6124 ( 784 PWs) bands (ev): -51.9729 -51.9729 -23.4566 -23.4566 -13.8193 -13.8193 -13.7151 -13.7151 18.5529 18.5529 19.1051 19.1051 19.3019 19.3019 25.0846 25.0846 25.1735 25.1735 28.3041 28.3041 33.3090 33.3090 k = 0.2645 0.3124 0.6124 ( 784 PWs) bands (ev): -51.9729 -51.9729 -23.4565 -23.4565 -13.8315 -13.8315 -13.7016 -13.7016 18.5160 18.5160 19.0983 19.0983 19.3288 19.3288 25.0667 25.0667 25.1784 25.1784 28.3387 28.3387 33.2645 33.2645 k = 0.2674 0.3042 0.6124 ( 784 PWs) bands (ev): -51.9730 -51.9730 -23.4564 -23.4564 -13.8435 -13.8435 -13.6880 -13.6880 18.4717 18.4717 19.0972 19.0972 19.3548 19.3548 25.0473 25.0473 25.1819 25.1819 28.3791 28.3791 33.2193 33.2193 k = 0.2703 0.2960 0.6124 ( 784 PWs) bands (ev): -51.9730 -51.9730 -23.4563 -23.4563 -13.8553 -13.8553 -13.6746 -13.6746 18.4213 18.4213 19.1009 19.1009 19.3799 19.3799 25.0264 25.0264 25.1838 25.1838 28.4243 28.4243 33.1741 33.1741 k = 0.2733 0.2878 0.6124 ( 787 PWs) bands (ev): -51.9730 -51.9730 -23.4563 -23.4563 -13.8668 -13.8668 -13.6613 -13.6613 18.3665 18.3665 19.1081 19.1081 19.4040 19.4040 25.0041 25.0041 25.1841 25.1841 28.4738 28.4738 33.1296 33.1296 k = 0.2762 0.2796 0.6124 ( 781 PWs) bands (ev): -51.9730 -51.9730 -23.4562 -23.4562 -13.8781 -13.8781 -13.6481 -13.6481 18.3088 18.3088 19.1178 19.1178 19.4268 19.4268 24.9804 24.9804 25.1829 25.1829 28.5269 28.5269 33.0864 33.0864 k = 0.2791 0.2713 0.6124 ( 781 PWs) bands (ev): -51.9730 -51.9730 -23.4562 -23.4562 -13.8891 -13.8891 -13.6351 -13.6351 18.2496 18.2496 19.1292 19.1292 19.4482 19.4482 24.9554 24.9554 25.1800 25.1800 28.5830 28.5830 33.0447 33.0447 k = 0.2820 0.2631 0.6124 ( 781 PWs) bands (ev): -51.9729 -51.9729 -23.4563 -23.4563 -13.8998 -13.8998 -13.6225 -13.6225 18.1899 18.1899 19.1414 19.1414 19.4682 19.4682 24.9292 24.9292 25.1754 25.1754 28.6416 28.6416 33.0049 33.0049 k = 0.2849 0.2549 0.6124 ( 781 PWs) bands (ev): -51.9728 -51.9728 -23.4564 -23.4564 -13.9103 -13.9103 -13.6102 -13.6102 18.1307 18.1307 19.1540 19.1540 19.4864 19.4864 24.9018 24.9018 25.1692 25.1692 28.7021 28.7021 32.9672 32.9672 k = 0.2878 0.2467 0.6124 ( 781 PWs) bands (ev): -51.9727 -51.9727 -23.4566 -23.4566 -13.9205 -13.9205 -13.5982 -13.5982 18.0728 18.0728 19.1665 19.1665 19.5028 19.5028 24.8734 24.8734 25.1613 25.1613 28.7641 28.7641 32.9318 32.9318 k = 0.2907 0.2384 0.6124 ( 781 PWs) bands (ev): -51.9726 -51.9726 -23.4568 -23.4568 -13.9305 -13.9305 -13.5867 -13.5867 18.0169 18.0169 19.1783 19.1783 19.5173 19.5173 24.8440 24.8440 25.1517 25.1517 28.8272 28.8272 32.8990 32.8990 k = 0.2936 0.2302 0.6124 ( 775 PWs) bands (ev): -51.9724 -51.9724 -23.4570 -23.4570 -13.9400 -13.9400 -13.5756 -13.5756 17.9635 17.9635 19.1892 19.1892 19.5297 19.5297 24.8138 24.8138 25.1405 25.1405 28.8910 28.8910 32.8687 32.8687 k = 0.2965 0.2220 0.6124 ( 775 PWs) bands (ev): -51.9722 -51.9722 -23.4574 -23.4574 -13.9494 -13.9494 -13.5651 -13.5651 17.9133 17.9133 19.1989 19.1989 19.5398 19.5398 24.7829 24.7829 25.1277 25.1277 28.9551 28.9551 32.8412 32.8412 k = 0.2994 0.2138 0.6124 ( 775 PWs) bands (ev): -51.9720 -51.9720 -23.4579 -23.4579 -13.9584 -13.9584 -13.5551 -13.5551 17.8666 17.8666 19.2071 19.2071 19.5475 19.5475 24.7516 24.7516 25.1135 25.1135 29.0194 29.0194 32.8164 32.8164 k = 0.3023 0.2056 0.6124 ( 775 PWs) bands (ev): -51.9717 -51.9717 -23.4584 -23.4584 -13.9671 -13.9671 -13.5457 -13.5457 17.8239 17.8239 19.2135 19.2135 19.5526 19.5526 24.7199 24.7199 25.0979 25.0979 29.0835 29.0835 32.7945 32.7945 k = 0.3052 0.1973 0.6124 ( 775 PWs) bands (ev): -51.9714 -51.9714 -23.4590 -23.4590 -13.9755 -13.9755 -13.5370 -13.5370 17.7855 17.7855 19.2179 19.2179 19.5551 19.5551 24.6881 24.6881 25.0811 25.0811 29.1472 29.1472 32.7754 32.7754 k = 0.3081 0.1891 0.6124 ( 775 PWs) bands (ev): -51.9710 -51.9710 -23.4598 -23.4598 -13.9836 -13.9836 -13.5290 -13.5290 17.7518 17.7518 19.2202 19.2202 19.5547 19.5547 24.6564 24.6564 25.0633 25.0633 29.2105 29.2105 32.7590 32.7590 k = 0.3110 0.1809 0.6124 ( 775 PWs) bands (ev): -51.9706 -51.9706 -23.4606 -23.4606 -13.9914 -13.9914 -13.5216 -13.5216 17.7230 17.7230 19.2201 19.2201 19.5514 19.5514 24.6249 24.6249 25.0445 25.0445 29.2730 29.2730 32.7453 32.7453 k = 0.3140 0.1727 0.6124 ( 772 PWs) bands (ev): -51.9701 -51.9701 -23.4615 -23.4615 -13.9988 -13.9988 -13.5150 -13.5150 17.6995 17.6995 19.2174 19.2174 19.5451 19.5451 24.5941 24.5941 25.0251 25.0251 29.3348 29.3348 32.7342 32.7342 k = 0.3169 0.1644 0.6124 ( 772 PWs) bands (ev): -51.9696 -51.9696 -23.4625 -23.4625 -14.0059 -14.0059 -13.5091 -13.5091 17.6814 17.6814 19.2120 19.2120 19.5355 19.5355 24.5639 24.5639 25.0052 25.0052 29.3957 29.3957 32.7255 32.7255 k = 0.3198 0.1562 0.6124 ( 772 PWs) bands (ev): -51.9690 -51.9690 -23.4636 -23.4636 -14.0127 -14.0127 -13.5041 -13.5041 17.6691 17.6691 19.2038 19.2038 19.5227 19.5227 24.5348 24.5348 24.9851 24.9851 29.4557 29.4557 32.7191 32.7191 k = 0.3227 0.1480 0.6124 ( 772 PWs) bands (ev): -51.9683 -51.9683 -23.4648 -23.4648 -14.0192 -14.0192 -13.4999 -13.4999 17.6625 17.6625 19.1925 19.1925 19.5065 19.5065 24.5070 24.5070 24.9650 24.9650 29.5147 29.5147 32.7147 32.7147 k = 0.3256 0.1398 0.6124 ( 778 PWs) bands (ev): -51.9677 -51.9677 -23.4662 -23.4662 -14.0253 -14.0253 -13.4966 -13.4966 17.6620 17.6620 19.1781 19.1781 19.4868 19.4868 24.4806 24.4806 24.9452 24.9452 29.5727 29.5727 32.7121 32.7121 k = 0.3285 0.1316 0.6124 ( 772 PWs) bands (ev): -51.9669 -51.9669 -23.4676 -23.4676 -14.0311 -14.0311 -13.4940 -13.4940 17.6677 17.6677 19.1606 19.1606 19.4637 19.4637 24.4561 24.4561 24.9259 24.9259 29.6296 29.6296 32.7110 32.7110 k = 0.3314 0.1233 0.6124 ( 772 PWs) bands (ev): -51.9661 -51.9661 -23.4692 -23.4692 -14.0366 -14.0366 -13.4923 -13.4923 17.6797 17.6797 19.1397 19.1397 19.4370 19.4370 24.4335 24.4335 24.9074 24.9074 29.6856 29.6856 32.7111 32.7111 k = 0.3343 0.1151 0.6124 ( 772 PWs) bands (ev): -51.9652 -51.9652 -23.4709 -23.4709 -14.0417 -14.0417 -13.4915 -13.4915 17.6982 17.6982 19.1155 19.1155 19.4067 19.4067 24.4131 24.4131 24.8900 24.8900 29.7404 29.7404 32.7121 32.7121 k = 0.3372 0.1069 0.6124 ( 772 PWs) bands (ev): -51.9643 -51.9643 -23.4727 -23.4727 -14.0466 -14.0466 -13.4916 -13.4916 17.7231 17.7231 19.0879 19.0879 19.3728 19.3728 24.3952 24.3952 24.8738 24.8738 29.7943 29.7943 32.7136 32.7136 k = 0.3401 0.0987 0.6124 ( 772 PWs) bands (ev): -51.9633 -51.9633 -23.4746 -23.4746 -14.0511 -14.0511 -13.4926 -13.4926 17.7546 17.7546 19.0569 19.0569 19.3353 19.3353 24.3798 24.3798 24.8592 24.8592 29.8471 29.8471 32.7153 32.7153 k = 0.3430 0.0904 0.6124 ( 772 PWs) bands (ev): -51.9623 -51.9623 -23.4766 -23.4766 -14.0552 -14.0552 -13.4945 -13.4945 17.7929 17.7929 19.0225 19.0225 19.2943 19.2943 24.3673 24.3673 24.8464 24.8464 29.8990 29.8990 32.7167 32.7167 k = 0.3459 0.0822 0.6124 ( 772 PWs) bands (ev): -51.9612 -51.9612 -23.4787 -23.4787 -14.0591 -14.0591 -13.4972 -13.4972 17.8378 17.8378 18.9848 18.9848 19.2498 19.2498 24.3578 24.3578 24.8355 24.8355 29.9498 29.9498 32.7174 32.7174 k = 0.3488 0.0740 0.6124 ( 772 PWs) bands (ev): -51.9601 -51.9601 -23.4809 -23.4809 -14.0626 -14.0626 -13.5009 -13.5009 17.8895 17.8895 18.9439 18.9439 19.2019 19.2019 24.3514 24.3514 24.8268 24.8268 29.9997 29.9997 32.7171 32.7171 k = 0.3517 0.0658 0.6124 ( 772 PWs) bands (ev): -51.9589 -51.9589 -23.4833 -23.4833 -14.0659 -14.0659 -13.5053 -13.5053 17.9479 17.9479 18.8998 18.8998 19.1507 19.1507 24.3482 24.3482 24.8205 24.8205 30.0486 30.0486 32.7153 32.7153 k = 0.3547 0.0576 0.6124 ( 778 PWs) bands (ev): -51.9576 -51.9576 -23.4858 -23.4858 -14.0688 -14.0688 -13.5108 -13.5108 18.0131 18.0131 18.8526 18.8526 19.0963 19.0963 24.3483 24.3483 24.8165 24.8165 30.0965 30.0965 32.7117 32.7117 k = 0.3576 0.0493 0.6124 ( 775 PWs) bands (ev): -51.9563 -51.9563 -23.4883 -23.4883 -14.0715 -14.0715 -13.5169 -13.5169 18.0850 18.0850 18.8026 18.8026 19.0388 19.0388 24.3519 24.3519 24.8152 24.8152 30.1435 30.1435 32.7058 32.7058 k = 0.3605 0.0411 0.6124 ( 775 PWs) bands (ev): -51.9549 -51.9549 -23.4910 -23.4910 -14.0738 -14.0738 -13.5238 -13.5238 18.1635 18.1635 18.7501 18.7501 18.9785 18.9785 24.3588 24.3588 24.8165 24.8165 30.1894 30.1894 32.6973 32.6973 k = 0.3634 0.0329 0.6124 ( 775 PWs) bands (ev): -51.9535 -51.9535 -23.4937 -23.4937 -14.0759 -14.0759 -13.5316 -13.5316 18.2483 18.2483 18.6954 18.6954 18.9154 18.9154 24.3693 24.3693 24.8206 24.8206 30.2344 30.2344 32.6858 32.6858 k = 0.3663 0.0247 0.6124 ( 775 PWs) bands (ev): -51.9521 -51.9521 -23.4966 -23.4966 -14.0777 -14.0777 -13.5400 -13.5400 18.3385 18.3385 18.6395 18.6395 18.8498 18.8498 24.3833 24.3833 24.8275 24.8275 30.2784 30.2784 32.6710 32.6710 k = 0.3692 0.0164 0.6124 ( 775 PWs) bands (ev): -51.9506 -51.9506 -23.4995 -23.4995 -14.0792 -14.0792 -13.5492 -13.5492 18.4296 18.4296 18.5873 18.5873 18.7819 18.7819 24.4008 24.4008 24.8372 24.8372 30.3213 30.3213 32.6526 32.6526 k = 0.3721 0.0082 0.6124 ( 775 PWs) bands (ev): -51.9490 -51.9490 -23.5025 -23.5025 -14.0804 -14.0804 -13.5591 -13.5591 18.4768 18.4768 18.5836 18.5836 18.7118 18.7118 24.4218 24.4218 24.8498 24.8498 30.3630 30.3630 32.6305 32.6305 k = 0.3750-0.0000 0.6124 ( 787 PWs) bands (ev): -51.9475 -51.9475 -23.5057 -23.5057 -14.0815 -14.0815 -13.5697 -13.5697 18.4328 18.4328 18.6398 18.6398 18.6759 18.6759 24.4462 24.4462 24.8653 24.8653 30.4035 30.4035 32.6043 32.6043 k = 0.3779-0.0082 0.6124 ( 778 PWs) bands (ev): -51.9458 -51.9458 -23.5088 -23.5088 -14.0822 -14.0822 -13.5808 -13.5808 18.3706 18.3706 18.5661 18.5661 18.7913 18.7913 24.4741 24.4741 24.8836 24.8836 30.4427 30.4427 32.5741 32.5741 k = 0.3808-0.0164 0.6124 ( 778 PWs) bands (ev): -51.9442 -51.9442 -23.5121 -23.5121 -14.0827 -14.0827 -13.5926 -13.5926 18.3043 18.3043 18.4909 18.4909 18.9159 18.9159 24.5053 24.5053 24.9047 24.9047 30.4805 30.4805 32.5397 32.5397 k = 0.3837-0.0247 0.6124 ( 778 PWs) bands (ev): -51.9425 -51.9425 -23.5154 -23.5154 -14.0830 -14.0830 -13.6049 -13.6049 18.2360 18.2360 18.4145 18.4145 19.0478 19.0478 24.5399 24.5399 24.9286 24.9286 30.5166 30.5166 32.5011 32.5011 k = 0.3866-0.0329 0.6124 ( 778 PWs) bands (ev): -51.9408 -51.9408 -23.5188 -23.5188 -14.0831 -14.0831 -13.6176 -13.6176 18.1662 18.1662 18.3370 18.3370 19.1864 19.1864 24.5777 24.5777 24.9552 24.9552 30.5510 30.5510 32.4584 32.4584 k = 0.3895-0.0411 0.6124 ( 778 PWs) bands (ev): -51.9390 -51.9390 -23.5223 -23.5223 -14.0830 -14.0830 -13.6308 -13.6308 18.0954 18.0954 18.2588 18.2588 19.3316 19.3316 24.6188 24.6188 24.9844 24.9844 30.5833 30.5833 32.4119 32.4119 k = 0.3924-0.0493 0.6124 ( 778 PWs) bands (ev): -51.9373 -51.9373 -23.5257 -23.5257 -14.0827 -14.0827 -13.6445 -13.6445 18.0238 18.0238 18.1799 18.1799 19.4831 19.4831 24.6630 24.6630 25.0163 25.0163 30.6133 30.6133 32.3616 32.3616 k = 0.3953-0.0576 0.6124 ( 778 PWs) bands (ev): -51.9355 -51.9355 -23.5293 -23.5293 -14.0822 -14.0822 -13.6584 -13.6584 17.9518 17.9518 18.1008 18.1008 19.6408 19.6408 24.7103 24.7103 25.0506 25.0506 30.6406 30.6406 32.3080 32.3080 k = 0.3983-0.0658 0.6124 ( 775 PWs) bands (ev): -51.9337 -51.9337 -23.5328 -23.5328 -14.0815 -14.0815 -13.6727 -13.6727 17.8795 17.8795 18.0214 18.0214 19.8045 19.8045 24.7605 24.7605 25.0874 25.0874 30.6649 30.6649 32.2515 32.2515 k = 0.4012-0.0740 0.6124 ( 775 PWs) bands (ev): -51.9319 -51.9319 -23.5364 -23.5364 -14.0807 -14.0807 -13.6872 -13.6872 17.8072 17.8072 17.9422 17.9422 19.9741 19.9741 24.8137 24.8137 25.1266 25.1266 30.6856 30.6856 32.1925 32.1925 k = 0.4041-0.0822 0.6124 ( 775 PWs) bands (ev): -51.9300 -51.9300 -23.5400 -23.5400 -14.0797 -14.0797 -13.7020 -13.7020 17.7350 17.7350 17.8632 17.8632 20.1494 20.1494 24.8698 24.8698 25.1679 25.1679 30.7021 30.7021 32.1319 32.1319 k = 0.4070-0.0904 0.6124 ( 775 PWs) bands (ev): -51.9282 -51.9282 -23.5437 -23.5437 -14.0786 -14.0786 -13.7169 -13.7169 17.6632 17.6632 17.7846 17.7846 20.3303 20.3303 24.9286 24.9286 25.2115 25.2115 30.7137 30.7137 32.0703 32.0703 k = 0.4099-0.0987 0.6124 ( 784 PWs) bands (ev): -51.9264 -51.9264 -23.5474 -23.5474 -14.0774 -14.0774 -13.7321 -13.7321 17.5920 17.5920 17.7067 17.7067 20.5166 20.5166 24.9902 24.9902 25.2570 25.2570 30.7196 30.7196 32.0086 32.0086 k = 0.4128-0.1069 0.6124 ( 784 PWs) bands (ev): -51.9246 -51.9246 -23.5511 -23.5511 -14.0760 -14.0760 -13.7472 -13.7472 17.5214 17.5214 17.6297 17.6297 20.7081 20.7081 25.0544 25.0544 25.3045 25.3045 30.7189 30.7189 31.9478 31.9478 k = 0.4157-0.1151 0.6124 ( 784 PWs) bands (ev): -51.9228 -51.9228 -23.5547 -23.5547 -14.0745 -14.0745 -13.7623 -13.7623 17.4518 17.4518 17.5536 17.5536 20.9047 20.9047 25.1212 25.1212 25.3539 25.3539 30.7104 30.7104 31.8891 31.8891 k = 0.4186-0.1233 0.6124 ( 784 PWs) bands (ev): -51.9210 -51.9210 -23.5583 -23.5583 -14.0730 -14.0730 -13.7775 -13.7775 17.3831 17.3831 17.4788 17.4788 21.1061 21.1061 25.1905 25.1905 25.4049 25.4049 30.6933 30.6933 31.8333 31.8333 k = 0.4215-0.1316 0.6124 ( 784 PWs) bands (ev): -51.9193 -51.9193 -23.5619 -23.5619 -14.0714 -14.0714 -13.7925 -13.7925 17.3157 17.3157 17.4052 17.4052 21.3122 21.3122 25.2623 25.2623 25.4575 25.4575 30.6666 30.6666 31.7815 31.7815 k = 0.4244-0.1398 0.6124 ( 784 PWs) bands (ev): -51.9175 -51.9175 -23.5654 -23.5654 -14.0697 -14.0697 -13.8074 -13.8074 17.2496 17.2496 17.3331 17.3331 21.5226 21.5226 25.3364 25.3364 25.5115 25.5115 30.6297 30.6297 31.7343 31.7343 k = 0.4273-0.1480 0.6124 ( 784 PWs) bands (ev): -51.9158 -51.9158 -23.5690 -23.5690 -14.0679 -14.0679 -13.8222 -13.8222 17.1850 17.1850 17.2627 17.2627 21.7372 21.7372 25.4128 25.4128 25.5669 25.5669 30.5823 30.5823 31.6920 31.6920 k = 0.4302-0.1562 0.6124 ( 784 PWs) bands (ev): -51.9141 -51.9141 -23.5724 -23.5724 -14.0661 -14.0661 -13.8368 -13.8368 17.1220 17.1220 17.1940 17.1940 21.9557 21.9557 25.4915 25.4915 25.6234 25.6234 30.5245 30.5245 31.6544 31.6544 k = 0.4331-0.1644 0.6124 ( 778 PWs) bands (ev): -51.9124 -51.9124 -23.5758 -23.5758 -14.0642 -14.0642 -13.8511 -13.8511 17.0607 17.0607 17.1272 17.1272 22.1777 22.1777 25.5723 25.5723 25.6809 25.6809 30.4568 30.4568 31.6210 31.6210 k = 0.4360-0.1727 0.6124 ( 778 PWs) bands (ev): -51.9108 -51.9108 -23.5791 -23.5791 -14.0624 -14.0624 -13.8651 -13.8651 17.0012 17.0012 17.0624 17.0624 22.4031 22.4031 25.6553 25.6553 25.7392 25.7392 30.3801 30.3801 31.5908 31.5908 k = 0.4390-0.1809 0.6124 ( 778 PWs) bands (ev): -51.9092 -51.9092 -23.5823 -23.5823 -14.0605 -14.0605 -13.8788 -13.8788 16.9437 16.9437 16.9997 16.9997 22.6313 22.6313 25.7402 25.7402 25.7982 25.7982 30.2952 30.2952 31.5628 31.5628 k = 0.4419-0.1891 0.6124 ( 784 PWs) bands (ev): -51.9077 -51.9077 -23.5856 -23.5856 -14.0587 -14.0587 -13.8922 -13.8922 16.8882 16.8882 16.9392 16.9392 22.8621 22.8621 25.8270 25.8270 25.8576 25.8576 30.2033 30.2033 31.5359 31.5359 k = 0.4448-0.1973 0.6124 ( 784 PWs) bands (ev): -51.9062 -51.9062 -23.5886 -23.5886 -14.0568 -14.0568 -13.9051 -13.9051 16.8348 16.8348 16.8811 16.8811 23.0950 23.0950 25.9156 25.9156 25.9173 25.9173 30.1053 30.1053 31.5088 31.5088 k = 0.4477-0.2056 0.6124 ( 784 PWs) bands (ev): -51.9048 -51.9048 -23.5916 -23.5916 -14.0550 -14.0550 -13.9176 -13.9176 16.7837 16.7837 16.8255 16.8255 23.3296 23.3296 25.9770 25.9770 26.0060 26.0060 30.0022 30.0022 31.4805 31.4805 k = 0.4506-0.2138 0.6124 ( 784 PWs) bands (ev): -51.9034 -51.9034 -23.5945 -23.5945 -14.0532 -14.0532 -13.9296 -13.9296 16.7349 16.7349 16.7723 16.7723 23.5654 23.5654 26.0365 26.0365 26.0979 26.0979 29.8948 29.8948 31.4502 31.4502 k = 0.4535-0.2220 0.6124 ( 784 PWs) bands (ev): -51.9020 -51.9020 -23.5972 -23.5972 -14.0515 -14.0515 -13.9411 -13.9411 16.6885 16.6885 16.7218 16.7218 23.8019 23.8019 26.0955 26.0955 26.1912 26.1912 29.7836 29.7836 31.4168 31.4168 k = 0.4564-0.2302 0.6124 ( 784 PWs) bands (ev): -51.9008 -51.9008 -23.5998 -23.5998 -14.0498 -14.0498 -13.9520 -13.9520 16.6446 16.6446 16.6739 16.6739 24.0383 24.0383 26.1537 26.1537 26.2857 26.2857 29.6695 29.6695 31.3718 31.3799 k = 0.4593-0.2384 0.6124 ( 784 PWs) bands (ev): -51.8996 -51.8996 -23.6023 -23.6023 -14.0482 -14.0482 -13.9624 -13.9624 16.6032 16.6032 16.6288 16.6288 24.2741 24.2741 26.2108 26.2108 26.3812 26.3812 29.5529 29.5529 31.2910 31.2910 k = 0.4622-0.2467 0.6124 ( 784 PWs) bands (ev): -51.8985 -51.8985 -23.6047 -23.6047 -14.0466 -14.0466 -13.9722 -13.9722 16.5644 16.5644 16.5865 16.5865 24.5084 24.5084 26.2666 26.2666 26.4775 26.4775 29.4342 29.4342 31.2126 31.2126 k = 0.4651-0.2549 0.6124 ( 772 PWs) bands (ev): -51.8974 -51.8974 -23.6067 -23.6067 -14.0451 -14.0451 -13.9813 -13.9813 16.5282 16.5282 16.5472 16.5472 24.7404 24.7404 26.3206 26.3206 26.5741 26.5741 29.3140 29.3140 31.1372 31.1372 k = 0.4680-0.2631 0.6124 ( 775 PWs) bands (ev): -51.8964 -51.8964 -23.6088 -23.6088 -14.0438 -14.0438 -13.9898 -13.9898 16.4947 16.4947 16.5107 16.5107 24.9691 24.9691 26.3725 26.3725 26.6705 26.6705 29.1926 29.1926 31.0652 31.0652 k = 0.4709-0.2713 0.6124 ( 769 PWs) bands (ev): -51.8955 -51.8955 -23.6107 -23.6107 -14.0425 -14.0425 -13.9976 -13.9976 16.4640 16.4640 16.4773 16.4773 25.1934 25.1934 26.4219 26.4219 26.7663 26.7663 29.0705 29.0705 30.9972 30.9972 k = 0.4738-0.2796 0.6124 ( 769 PWs) bands (ev): -51.8947 -51.8947 -23.6124 -23.6124 -14.0413 -14.0413 -14.0048 -14.0048 16.4361 16.4361 16.4469 16.4469 25.4120 25.4120 26.4683 26.4683 26.8606 26.8606 28.9482 28.9482 30.9336 30.9336 k = 0.4767-0.2878 0.6124 ( 775 PWs) bands (ev): -51.8939 -51.8939 -23.6140 -23.6140 -14.0402 -14.0402 -14.0113 -14.0113 16.4111 16.4111 16.4196 16.4196 25.6233 25.6233 26.5114 26.5114 26.9526 26.9526 28.8264 28.8264 30.8749 30.8749 k = 0.4797-0.2960 0.6124 ( 775 PWs) bands (ev): -51.8933 -51.8933 -23.6154 -23.6154 -14.0393 -14.0393 -14.0170 -14.0170 16.3889 16.3889 16.3954 16.3954 25.8257 25.8257 26.5508 26.5508 27.0410 27.0410 28.7057 28.7057 30.8217 30.8217 k = 0.4826-0.3042 0.6124 ( 781 PWs) bands (ev): -51.8927 -51.8927 -23.6167 -23.6167 -14.0385 -14.0385 -14.0221 -14.0221 16.3695 16.3695 16.3743 16.3743 26.0168 26.0168 26.5859 26.5859 27.1244 27.1244 28.5875 28.5875 30.7744 30.7744 k = 0.4855-0.3124 0.6124 ( 784 PWs) bands (ev): -51.8922 -51.8922 -23.6177 -23.6177 -14.0378 -14.0378 -14.0264 -14.0264 16.3532 16.3532 16.3565 16.3565 26.1939 26.1939 26.6165 26.6165 27.2012 27.2012 28.4735 28.4735 30.7335 30.7335 k = 0.4884-0.3207 0.6124 ( 784 PWs) bands (ev): -51.8918 -51.8918 -23.6186 -23.6186 -14.0372 -14.0372 -14.0299 -14.0299 16.3397 16.3397 16.3419 16.3419 26.3532 26.3532 26.6421 26.6421 27.2692 27.2692 28.3666 28.3666 30.6994 30.6994 k = 0.4913-0.3289 0.6124 ( 784 PWs) bands (ev): -51.8915 -51.8915 -23.6193 -23.6193 -14.0367 -14.0367 -14.0326 -14.0326 16.3293 16.3293 16.3305 16.3305 26.4895 26.4895 26.6624 26.6624 27.3263 27.3263 28.2710 28.2710 30.6724 30.6724 k = 0.4942-0.3371 0.6124 ( 784 PWs) bands (ev): -51.8913 -51.8913 -23.6197 -23.6197 -14.0364 -14.0364 -14.0345 -14.0345 16.3218 16.3218 16.3223 16.3223 26.5961 26.5961 26.6771 26.6771 27.3701 27.3701 28.1929 28.1929 30.6529 30.6529 k = 0.4971-0.3453 0.6124 ( 784 PWs) bands (ev): -51.8912 -51.8912 -23.6200 -23.6200 -14.0362 -14.0362 -14.0357 -14.0357 16.3173 16.3173 16.3174 16.3174 26.6650 26.6650 26.6860 26.6860 27.3980 27.3980 28.1407 28.1407 30.6411 30.6411 k = 0.5000-0.3536 0.6124 ( 784 PWs) bands (ev): -51.8911 -51.8911 -23.6201 -23.6201 -14.0361 -14.0361 -14.0361 -14.0361 16.3158 16.3158 16.3158 16.3158 26.6890 26.6890 26.6890 26.6890 27.4076 27.4076 28.1221 28.1221 30.6372 30.6372 k = 0.2500 0.3536 0.6124 ( 784 PWs) bands (ev): -51.9728 -51.9728 -23.4568 -23.4568 -13.7686 -13.7686 -13.7686 -13.7686 18.6140 18.6140 19.1894 19.1894 19.1894 19.1894 25.1405 25.1405 25.1405 25.1405 28.2368 28.2368 33.4282 33.4282 k = 0.2450 0.3465 0.6124 ( 784 PWs) bands (ev): -51.9728 -51.9728 -23.4568 -23.4568 -13.7814 -13.7814 -13.7555 -13.7555 18.6111 18.6111 19.1609 19.1609 19.2185 19.2185 25.1291 25.1291 25.1505 25.1505 28.2414 28.2414 33.4148 33.4148 k = 0.2400 0.3394 0.6124 ( 784 PWs) bands (ev): -51.9729 -51.9729 -23.4567 -23.4567 -13.7941 -13.7941 -13.7423 -13.7423 18.6026 18.6026 19.1315 19.1315 19.2496 19.2496 25.1163 25.1163 25.1591 25.1591 28.2553 28.2553 33.3736 33.3736 k = 0.2350 0.3323 0.6124 ( 784 PWs) bands (ev): -51.9729 -51.9729 -23.4566 -23.4566 -13.8065 -13.8065 -13.7289 -13.7289 18.5889 18.5889 19.0994 19.0994 19.2840 19.2840 25.1022 25.1022 25.1663 25.1663 28.2784 28.2784 33.3054 33.3054 k = 0.2300 0.3253 0.6124 ( 784 PWs) bands (ev): -51.9729 -51.9729 -23.4565 -23.4565 -13.8188 -13.8188 -13.7154 -13.7154 18.5708 18.5708 19.0638 19.0638 19.3222 19.3222 25.0868 25.0868 25.1720 25.1720 28.3104 28.3104 33.2147 33.2147 k = 0.2250 0.3182 0.6124 ( 784 PWs) bands (ev): -51.9730 -51.9730 -23.4563 -23.4563 -13.8308 -13.8308 -13.7017 -13.7017 18.5488 18.5488 19.0241 19.0241 19.3644 19.3644 25.0701 25.0701 25.1763 25.1763 28.3513 28.3513 33.1078 33.1078 k = 0.2200 0.3111 0.6124 ( 784 PWs) bands (ev): -51.9731 -51.9731 -23.4561 -23.4561 -13.8425 -13.8425 -13.6879 -13.6879 18.5235 18.5235 18.9801 18.9801 19.4106 19.4106 25.0520 25.0520 25.1793 25.1793 28.4007 28.4007 32.9897 32.9897 k = 0.2150 0.3041 0.6124 ( 784 PWs) bands (ev): -51.9732 -51.9732 -23.4558 -23.4558 -13.8540 -13.8540 -13.6740 -13.6740 18.4950 18.4950 18.9324 18.9324 19.4606 19.4606 25.0326 25.0326 25.1809 25.1809 28.4583 28.4583 32.8639 32.8639 k = 0.2100 0.2970 0.6124 ( 780 PWs) bands (ev): -51.9733 -51.9733 -23.4555 -23.4555 -13.8652 -13.8652 -13.6600 -13.6600 18.4633 18.4633 18.8816 18.8816 19.5141 19.5141 25.0118 25.0118 25.1812 25.1812 28.5238 28.5238 32.7327 32.7327 k = 0.2050 0.2899 0.6124 ( 776 PWs) bands (ev): -51.9734 -51.9734 -23.4551 -23.4551 -13.8762 -13.8762 -13.6458 -13.6458 18.4278 18.4278 18.8290 18.8290 19.5709 19.5709 24.9896 24.9896 25.1804 25.1804 28.5968 28.5968 32.5974 32.5974 k = 0.2000 0.2828 0.6124 ( 780 PWs) bands (ev): -51.9736 -51.9736 -23.4548 -23.4548 -13.8870 -13.8870 -13.6317 -13.6317 18.3878 18.3878 18.7761 18.7761 19.6307 19.6307 24.9660 24.9660 25.1785 25.1785 28.6768 28.6768 32.4589 32.4589 k = 0.1950 0.2758 0.6124 ( 776 PWs) bands (ev): -51.9737 -51.9737 -23.4544 -23.4544 -13.8974 -13.8974 -13.6176 -13.6176 18.3421 18.3421 18.7249 18.7249 19.6933 19.6933 24.9410 24.9410 25.1757 25.1757 28.7633 28.7633 32.3181 32.3181 k = 0.1900 0.2687 0.6124 ( 784 PWs) bands (ev): -51.9739 -51.9739 -23.4541 -23.4541 -13.9076 -13.9076 -13.6034 -13.6034 18.2895 18.2895 18.6769 18.6769 19.7586 19.7586 24.9146 24.9146 25.1720 25.1720 28.8557 28.8557 32.1755 32.1755 k = 0.1850 0.2616 0.6124 ( 784 PWs) bands (ev): -51.9740 -51.9740 -23.4536 -23.4536 -13.9175 -13.9175 -13.5893 -13.5893 18.2295 18.2295 18.6338 18.6338 19.8263 19.8263 24.8870 24.8870 25.1677 25.1677 28.9537 28.9537 32.0315 32.0315 k = 0.1800 0.2546 0.6124 ( 784 PWs) bands (ev): -51.9742 -51.9742 -23.4532 -23.4532 -13.9271 -13.9271 -13.5751 -13.5751 18.1618 18.1618 18.5961 18.5961 19.8964 19.8964 24.8581 24.8581 25.1627 25.1627 29.0566 29.0566 31.8865 31.8865 k = 0.1750 0.2475 0.6124 ( 784 PWs) bands (ev): -51.9744 -51.9744 -23.4527 -23.4527 -13.9364 -13.9364 -13.5610 -13.5610 18.0872 18.0872 18.5638 18.5638 19.9686 19.9686 24.8280 24.8280 25.1573 25.1573 29.1638 29.1638 31.7409 31.7409 k = 0.1700 0.2404 0.6124 ( 786 PWs) bands (ev): -51.9746 -51.9746 -23.4522 -23.4522 -13.9455 -13.9455 -13.5469 -13.5469 18.0065 18.0065 18.5365 18.5365 20.0429 20.0429 24.7970 24.7970 25.1515 25.1515 29.2747 29.2747 31.5951 31.5951 k = 0.1650 0.2333 0.6124 ( 786 PWs) bands (ev): -51.9748 -51.9748 -23.4517 -23.4517 -13.9542 -13.9542 -13.5329 -13.5329 17.9210 17.9210 18.5136 18.5136 20.1191 20.1191 24.7650 24.7650 25.1454 25.1454 29.3886 29.3886 31.4496 31.4496 k = 0.1600 0.2263 0.6124 ( 786 PWs) bands (ev): -51.9751 -51.9751 -23.4511 -23.4511 -13.9627 -13.9627 -13.5190 -13.5190 17.8318 17.8318 18.4944 18.4944 20.1971 20.1971 24.7322 24.7322 25.1390 25.1390 29.5048 29.5048 31.3047 31.3047 k = 0.1550 0.2192 0.6124 ( 782 PWs) bands (ev): -51.9753 -51.9753 -23.4505 -23.4505 -13.9708 -13.9708 -13.5052 -13.5052 17.7399 17.7399 18.4782 18.4782 20.2768 20.2768 24.6988 24.6988 25.1325 25.1325 29.6223 29.6223 31.1614 31.1614 k = 0.1500 0.2121 0.6124 ( 782 PWs) bands (ev): -51.9755 -51.9755 -23.4499 -23.4499 -13.9787 -13.9787 -13.4916 -13.4916 17.6461 17.6461 18.4648 18.4648 20.3580 20.3580 24.6650 24.6650 25.1258 25.1258 29.7397 29.7397 31.0207 31.0207 k = 0.1450 0.2051 0.6124 ( 782 PWs) bands (ev): -51.9757 -51.9757 -23.4493 -23.4493 -13.9863 -13.9863 -13.4782 -13.4782 17.5511 17.5511 18.4538 18.4538 20.4406 20.4406 24.6308 24.6308 25.1190 25.1190 29.8547 29.8547 30.8846 30.8846 k = 0.1400 0.1980 0.6124 ( 782 PWs) bands (ev): -51.9760 -51.9760 -23.4487 -23.4487 -13.9935 -13.9935 -13.4649 -13.4649 17.4557 17.4557 18.4447 18.4447 20.5246 20.5246 24.5965 24.5965 25.1122 25.1122 29.9629 29.9629 30.7574 30.7574 k = 0.1350 0.1909 0.6124 ( 778 PWs) bands (ev): -51.9762 -51.9762 -23.4481 -23.4481 -14.0005 -14.0005 -13.4518 -13.4518 17.3604 17.3604 18.4375 18.4375 20.6096 20.6096 24.5621 24.5621 25.1054 25.1054 30.0536 30.0536 30.6495 30.6495 k = 0.1300 0.1838 0.6124 ( 784 PWs) bands (ev): -51.9765 -51.9765 -23.4475 -23.4475 -14.0073 -14.0073 -13.4390 -13.4390 17.2655 17.2655 18.4319 18.4319 20.6957 20.6957 24.5278 24.5278 25.0985 25.0985 30.1027 30.1027 30.5849 30.5849 k = 0.1250 0.1768 0.6124 ( 784 PWs) bands (ev): -51.9767 -51.9767 -23.4469 -23.4469 -14.0137 -14.0137 -13.4264 -13.4264 17.1716 17.1716 18.4278 18.4278 20.7826 20.7826 24.4938 24.4938 25.0917 25.0917 30.0805 30.0805 30.5931 30.5931 k = 0.1200 0.1697 0.6124 ( 784 PWs) bands (ev): -51.9770 -51.9770 -23.4463 -23.4463 -14.0198 -14.0198 -13.4141 -13.4141 17.0791 17.0791 18.4249 18.4249 20.8701 20.8701 24.4602 24.4602 25.0850 25.0850 29.9973 29.9973 30.6636 30.6636 k = 0.1150 0.1626 0.6124 ( 780 PWs) bands (ev): -51.9772 -51.9772 -23.4456 -23.4456 -14.0256 -14.0256 -13.4021 -13.4021 16.9882 16.9882 18.4233 18.4233 20.9582 20.9582 24.4271 24.4271 25.0783 25.0783 29.8851 29.8851 30.7642 30.7642 k = 0.1100 0.1556 0.6124 ( 780 PWs) bands (ev): -51.9774 -51.9774 -23.4450 -23.4450 -14.0312 -14.0312 -13.3904 -13.3904 16.8994 16.8994 18.4227 18.4227 21.0465 21.0465 24.3947 24.3947 25.0717 25.0717 29.7616 29.7616 30.8771 30.8771 k = 0.1050 0.1485 0.6124 ( 778 PWs) bands (ev): -51.9777 -51.9777 -23.4444 -23.4444 -14.0365 -14.0365 -13.3791 -13.3791 16.8128 16.8128 18.4231 18.4231 21.1349 21.1349 24.3630 24.3630 25.0652 25.0652 29.6339 29.6339 30.9952 30.9952 k = 0.1000 0.1414 0.6124 ( 778 PWs) bands (ev): -51.9779 -51.9779 -23.4438 -23.4438 -14.0415 -14.0415 -13.3681 -13.3681 16.7288 16.7288 18.4242 18.4242 21.2232 21.2232 24.3321 24.3321 25.0588 25.0588 29.5052 29.5052 31.1149 31.1149 k = 0.0950 0.1344 0.6124 ( 778 PWs) bands (ev): -51.9781 -51.9781 -23.4433 -23.4433 -14.0462 -14.0462 -13.3575 -13.3575 16.6475 16.6475 18.4261 18.4261 21.3110 21.3110 24.3022 24.3022 25.0525 25.0525 29.3772 29.3772 31.2347 31.2347 k = 0.0900 0.1273 0.6124 ( 778 PWs) bands (ev): -51.9784 -51.9784 -23.4427 -23.4427 -14.0507 -14.0507 -13.3474 -13.3474 16.5692 16.5692 18.4286 18.4286 21.3982 21.3982 24.2733 24.2733 25.0464 25.0464 29.2509 29.2509 31.3533 31.3533 k = 0.0850 0.1202 0.6124 ( 778 PWs) bands (ev): -51.9786 -51.9786 -23.4422 -23.4422 -14.0549 -14.0549 -13.3376 -13.3376 16.4942 16.4942 18.4317 18.4317 21.4844 21.4844 24.2455 24.2455 25.0404 25.0404 29.1270 29.1270 31.4699 31.4699 k = 0.0800 0.1131 0.6124 ( 778 PWs) bands (ev): -51.9788 -51.9788 -23.4417 -23.4417 -14.0589 -14.0589 -13.3283 -13.3283 16.4225 16.4225 18.4351 18.4351 21.5693 21.5693 24.2189 24.2189 25.0347 25.0347 29.0061 29.0061 31.5839 31.5839 k = 0.0750 0.1061 0.6124 ( 780 PWs) bands (ev): -51.9790 -51.9790 -23.4412 -23.4412 -14.0626 -14.0626 -13.3194 -13.3194 16.3544 16.3544 18.4389 18.4389 21.6525 21.6525 24.1936 24.1936 25.0291 25.0291 28.8888 28.8888 31.6947 31.6947 k = 0.0700 0.0990 0.6124 ( 780 PWs) bands (ev): -51.9792 -51.9792 -23.4407 -23.4407 -14.0660 -14.0660 -13.3111 -13.3111 16.2900 16.2900 18.4429 18.4429 21.7337 21.7337 24.1695 24.1695 25.0236 25.0236 28.7756 28.7756 31.8017 31.8017 k = 0.0650 0.0919 0.6124 ( 778 PWs) bands (ev): -51.9794 -51.9794 -23.4402 -23.4402 -14.0692 -14.0692 -13.3032 -13.3032 16.2295 16.2295 18.4471 18.4471 21.8125 21.8125 24.1469 24.1469 25.0185 25.0185 28.6670 28.6670 31.9044 31.9044 k = 0.0600 0.0849 0.6124 ( 778 PWs) bands (ev): -51.9795 -51.9795 -23.4398 -23.4398 -14.0721 -14.0721 -13.2958 -13.2958 16.1730 16.1730 18.4514 18.4514 21.8884 21.8884 24.1257 24.1257 25.0135 25.0135 28.5634 28.5634 32.0023 32.0023 k = 0.0550 0.0778 0.6124 ( 778 PWs) bands (ev): -51.9797 -51.9797 -23.4394 -23.4394 -14.0748 -14.0748 -13.2890 -13.2890 16.1205 16.1205 18.4556 18.4556 21.9610 21.9610 24.1059 24.1059 25.0088 25.0088 28.4653 28.4653 32.0948 32.0948 k = 0.0500 0.0707 0.6124 ( 774 PWs) bands (ev): -51.9798 -51.9798 -23.4390 -23.4390 -14.0772 -14.0772 -13.2826 -13.2826 16.0723 16.0723 18.4597 18.4597 22.0298 22.0298 24.0877 24.0877 25.0044 25.0044 28.3734 28.3734 32.1815 32.1815 k = 0.0450 0.0636 0.6124 ( 782 PWs) bands (ev): -51.9800 -51.9800 -23.4387 -23.4387 -14.0795 -14.0795 -13.2769 -13.2769 16.0284 16.0284 18.4637 18.4637 22.0942 22.0942 24.0710 24.0710 25.0002 25.0002 28.2880 28.2880 32.2619 32.2619 k = 0.0400 0.0566 0.6124 ( 782 PWs) bands (ev): -51.9801 -51.9801 -23.4384 -23.4384 -14.0815 -14.0815 -13.2718 -13.2718 15.9889 15.9889 18.4675 18.4675 22.1538 22.1538 24.0560 24.0560 24.9964 24.9964 28.2098 28.2098 32.3355 32.3355 k = 0.0350 0.0495 0.6124 ( 782 PWs) bands (ev): -51.9802 -51.9802 -23.4382 -23.4382 -14.0832 -14.0832 -13.2672 -13.2672 15.9538 15.9538 18.4709 18.4709 22.2081 22.2081 24.0426 24.0426 24.9929 24.9929 28.1393 28.1393 32.4019 32.4019 k = 0.0300 0.0424 0.6124 ( 782 PWs) bands (ev): -51.9803 -51.9803 -23.4379 -23.4379 -14.0847 -14.0847 -13.2632 -13.2632 15.9233 15.9233 18.4740 18.4740 22.2564 22.2564 24.0309 24.0309 24.9898 24.9898 28.0769 28.0769 32.4606 32.4606 k = 0.0250 0.0354 0.6124 ( 782 PWs) bands (ev): -51.9804 -51.9804 -23.4377 -23.4377 -14.0859 -14.0859 -13.2598 -13.2598 15.8974 15.8974 18.4767 18.4767 22.2983 22.2983 24.0209 24.0209 24.9872 24.9872 28.0231 28.0231 32.5111 32.5111 k = 0.0200 0.0283 0.6124 ( 782 PWs) bands (ev): -51.9805 -51.9805 -23.4375 -23.4375 -14.0870 -14.0870 -13.2570 -13.2570 15.8762 15.8762 18.4790 18.4790 22.3333 22.3333 24.0127 24.0127 24.9849 24.9849 27.9785 27.9785 32.5532 32.5532 k = 0.0150 0.0212 0.6124 ( 790 PWs) bands (ev): -51.9806 -51.9806 -23.4375 -23.4375 -14.0878 -14.0878 -13.2549 -13.2549 15.8596 15.8596 18.4808 18.4808 22.3610 22.3610 24.0063 24.0063 24.9831 24.9831 27.9433 27.9433 32.5863 32.5863 k = 0.0100 0.0141 0.6124 ( 790 PWs) bands (ev): -51.9806 -51.9806 -23.4374 -23.4374 -14.0884 -14.0884 -13.2534 -13.2534 15.8477 15.8477 18.4821 18.4821 22.3811 22.3811 24.0017 24.0017 24.9818 24.9818 27.9180 27.9180 32.6103 32.6103 k = 0.0050 0.0071 0.6124 ( 798 PWs) bands (ev): -51.9806 -51.9806 -23.4374 -23.4374 -14.0888 -14.0888 -13.2525 -13.2525 15.8406 15.8406 18.4829 18.4829 22.3932 22.3932 23.9989 23.9989 24.9810 24.9810 27.9026 27.9026 32.6248 32.6248 k = 0.0000 0.0000 0.6124 ( 798 PWs) bands (ev): -51.9807 -51.9807 -23.4374 -23.4374 -14.0889 -14.0889 -13.2522 -13.2522 15.8382 15.8382 18.4832 18.4832 22.3973 22.3973 23.9980 23.9980 24.9808 24.9808 27.8975 27.8975 32.6296 32.6296 Writing output data file W.save init_run : 0.22s CPU 1.07s WALL ( 1 calls) electrons : 32.25s CPU 37.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.31s WALL ( 1 calls) potinit : 0.01s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 32.24s CPU 37.03s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.02s WALL ( 467 calls) cegterg : 28.94s CPU 29.65s WALL ( 482 calls) Called by sum_band: Called by *egterg: h_psi : 11.38s CPU 11.85s WALL ( 6781 calls) s_psi : 0.32s CPU 0.35s WALL ( 6781 calls) g_psi : 0.00s CPU 0.02s WALL ( 5832 calls) cdiaghg : 17.14s CPU 17.51s WALL ( 6299 calls) cegterg:over : 0.82s CPU 0.78s WALL ( 5832 calls) cegterg:upda : 0.63s CPU 0.62s WALL ( 5832 calls) cegterg:last : 0.32s CPU 0.27s WALL ( 1009 calls) cdiaghg:chol : 0.84s CPU 0.88s WALL ( 6299 calls) cdiaghg:inve : 0.16s CPU 0.17s WALL ( 6299 calls) cdiaghg:para : 1.24s CPU 1.22s WALL ( 12598 calls) Called by h_psi: h_psi:vloc : 10.45s CPU 10.95s WALL ( 6781 calls) h_psi:vnl : 0.90s CPU 0.87s WALL ( 6781 calls) add_vuspsi : 0.49s CPU 0.46s WALL ( 6781 calls) General routines calbec : 0.39s CPU 0.40s WALL ( 6781 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 9.90s CPU 10.42s WALL ( 329004 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.13s WALL ( 934 calls) Parallel routines fft_scatter : 5.80s CPU 6.03s WALL ( 329027 calls) PWSCF : 0m39.71s CPU 1m52.17s WALL This run was terminated on: 21:21:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=