Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 1:44 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: ./O2.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 9 5 2 409 176 35 Max 10 6 4 418 187 44 Sum 337 195 77 14855 6533 1447 bravais-lattice index = 14 lattice parameter (alat) = 2.3606 a.u. unit-cell volume = 150.9855 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 6.00 number of Kohn-Sham states= 14 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 2.360646 celldm(2)= 2.372278 celldm(3)= 4.902406 celldm(4)= 0.161405 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 2.372278 0.000000 ) a(3) = ( 0.000000 0.791271 4.838127 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.421536 -0.068942 ) b(3) = ( 0.000000 0.000000 0.206692 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 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 [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 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 [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 599 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016694 k( 2) = ( 0.0000000 0.0000000 0.0039748), wk = 0.0016694 k( 3) = ( 0.0000000 0.0000000 0.0079497), wk = 0.0016694 k( 4) = ( 0.0000000 0.0000000 0.0119245), wk = 0.0016694 k( 5) = ( 0.0000000 0.0000000 0.0158994), wk = 0.0016694 k( 6) = ( 0.0000000 0.0000000 0.0198742), wk = 0.0016694 k( 7) = ( 0.0000000 0.0000000 0.0238490), wk = 0.0016694 k( 8) = ( 0.0000000 0.0000000 0.0278239), wk = 0.0016694 k( 9) = ( 0.0000000 0.0000000 0.0317987), wk = 0.0016694 k( 10) = ( 0.0000000 0.0000000 0.0357735), wk = 0.0016694 k( 11) = ( 0.0000000 0.0000000 0.0397484), wk = 0.0016694 k( 12) = ( 0.0000000 0.0000000 0.0437232), wk = 0.0016694 k( 13) = ( 0.0000000 0.0000000 0.0476981), wk = 0.0016694 k( 14) = ( 0.0000000 0.0000000 0.0516729), wk = 0.0016694 k( 15) = ( 0.0000000 0.0000000 0.0556477), wk = 0.0016694 k( 16) = ( 0.0000000 0.0000000 0.0596226), wk = 0.0016694 k( 17) = ( 0.0000000 0.0000000 0.0635974), wk = 0.0016694 k( 18) = ( 0.0000000 0.0000000 0.0675722), wk = 0.0016694 k( 19) = ( 0.0000000 0.0000000 0.0715471), wk = 0.0016694 k( 20) = ( 0.0000000 0.0000000 0.0755219), wk = 0.0016694 k( 21) = ( 0.0000000 0.0000000 0.0794968), wk = 0.0016694 k( 22) = ( 0.0000000 0.0000000 0.0834716), wk = 0.0016694 k( 23) = ( 0.0000000 0.0000000 0.0874464), wk = 0.0016694 k( 24) = ( 0.0000000 0.0000000 0.0914213), wk = 0.0016694 k( 25) = ( 0.0000000 0.0000000 0.0953961), wk = 0.0016694 k( 26) = ( 0.0000000 0.0000000 0.0993709), wk = 0.0016694 k( 27) = ( 0.0000000 0.0000000 0.1033458), wk = 0.0016694 k( 28) = ( 0.0000000 0.0000000 0.1033458), wk = 0.0016694 k( 29) = ( 0.0000000 0.0039118 0.1033458), wk = 0.0016694 k( 30) = ( 0.0000000 0.0078237 0.1033458), wk = 0.0016694 k( 31) = ( 0.0000000 0.0117355 0.1033458), wk = 0.0016694 k( 32) = ( 0.0000000 0.0156473 0.1033458), wk = 0.0016694 k( 33) = ( 0.0000000 0.0195592 0.1033458), wk = 0.0016694 k( 34) = ( 0.0000000 0.0234710 0.1033458), wk = 0.0016694 k( 35) = ( 0.0000000 0.0273828 0.1033458), wk = 0.0016694 k( 36) = ( 0.0000000 0.0312947 0.1033458), wk = 0.0016694 k( 37) = ( 0.0000000 0.0352065 0.1033458), wk = 0.0016694 k( 38) = ( 0.0000000 0.0391183 0.1033458), wk = 0.0016694 k( 39) = ( 0.0000000 0.0430302 0.1033458), wk = 0.0016694 k( 40) = ( 0.0000000 0.0469420 0.1033458), wk = 0.0016694 k( 41) = ( 0.0000000 0.0508538 0.1033458), wk = 0.0016694 k( 42) = ( 0.0000000 0.0547656 0.1033458), wk = 0.0016694 k( 43) = ( 0.0000000 0.0586775 0.1033458), wk = 0.0016694 k( 44) = ( 0.0000000 0.0625893 0.1033458), wk = 0.0016694 k( 45) = ( 0.0000000 0.0665011 0.1033458), wk = 0.0016694 k( 46) = ( 0.0000000 0.0704130 0.1033458), wk = 0.0016694 k( 47) = ( 0.0000000 0.0743248 0.1033458), wk = 0.0016694 k( 48) = ( 0.0000000 0.0782366 0.1033458), wk = 0.0016694 k( 49) = ( 0.0000000 0.0821485 0.1033458), wk = 0.0016694 k( 50) = ( 0.0000000 0.0860603 0.1033458), wk = 0.0016694 k( 51) = ( 0.0000000 0.0899721 0.1033458), wk = 0.0016694 k( 52) = ( 0.0000000 0.0938840 0.1033458), wk = 0.0016694 k( 53) = ( 0.0000000 0.0977958 0.1033458), wk = 0.0016694 k( 54) = ( 0.0000000 0.1017076 0.1033458), wk = 0.0016694 k( 55) = ( 0.0000000 0.1056195 0.1033458), wk = 0.0016694 k( 56) = ( 0.0000000 0.1095313 0.1033458), wk = 0.0016694 k( 57) = ( 0.0000000 0.1134431 0.1033458), wk = 0.0016694 k( 58) = ( 0.0000000 0.1173550 0.1033458), wk = 0.0016694 k( 59) = ( 0.0000000 0.1212668 0.1033458), wk = 0.0016694 k( 60) = ( 0.0000000 0.1251786 0.1033458), wk = 0.0016694 k( 61) = ( 0.0000000 0.1290905 0.1033458), wk = 0.0016694 k( 62) = ( 0.0000000 0.1330023 0.1033458), wk = 0.0016694 k( 63) = ( 0.0000000 0.1369141 0.1033458), wk = 0.0016694 k( 64) = ( 0.0000000 0.1408260 0.1033458), wk = 0.0016694 k( 65) = ( 0.0000000 0.1447378 0.1033458), wk = 0.0016694 k( 66) = ( 0.0000000 0.1486496 0.1033458), wk = 0.0016694 k( 67) = ( 0.0000000 0.1525614 0.1033458), wk = 0.0016694 k( 68) = ( 0.0000000 0.1564733 0.1033458), wk = 0.0016694 k( 69) = ( 0.0000000 0.1603851 0.1033458), wk = 0.0016694 k( 70) = ( 0.0000000 0.1642969 0.1033458), wk = 0.0016694 k( 71) = ( 0.0000000 0.1682088 0.1033458), wk = 0.0016694 k( 72) = ( 0.0000000 0.1721206 0.1033458), wk = 0.0016694 k( 73) = ( 0.0000000 0.1760324 0.1033458), wk = 0.0016694 k( 74) = ( 0.0000000 0.1799443 0.1033458), wk = 0.0016694 k( 75) = ( 0.0000000 0.1838561 0.1033458), wk = 0.0016694 k( 76) = ( 0.0000000 0.1877679 0.1033458), wk = 0.0016694 k( 77) = ( 0.0000000 0.1916798 0.1033458), wk = 0.0016694 k( 78) = ( 0.0000000 0.1955916 0.1033458), wk = 0.0016694 k( 79) = ( 0.0000000 0.1995034 0.1033458), wk = 0.0016694 k( 80) = ( 0.0000000 0.1995034 0.1033458), wk = 0.0016694 k( 81) = ( 0.0000000 0.2006299 0.0998987), wk = 0.0016694 k( 82) = ( 0.0000000 0.2017563 0.0964516), wk = 0.0016694 k( 83) = ( 0.0000000 0.2028828 0.0930045), wk = 0.0016694 k( 84) = ( 0.0000000 0.2040092 0.0895574), wk = 0.0016694 k( 85) = ( 0.0000000 0.2051356 0.0861103), wk = 0.0016694 k( 86) = ( 0.0000000 0.2062621 0.0826632), wk = 0.0016694 k( 87) = ( 0.0000000 0.2073885 0.0792162), wk = 0.0016694 k( 88) = ( 0.0000000 0.2085150 0.0757691), wk = 0.0016694 k( 89) = ( 0.0000000 0.2096414 0.0723220), wk = 0.0016694 k( 90) = ( 0.0000000 0.2107679 0.0688749), wk = 0.0016694 k( 91) = ( 0.0000000 0.2107679 0.0688749), wk = 0.0016694 k( 92) = ( 0.0039683 0.2107679 0.0688749), wk = 0.0016694 k( 93) = ( 0.0079365 0.2107679 0.0688749), wk = 0.0016694 k( 94) = ( 0.0119048 0.2107679 0.0688749), wk = 0.0016694 k( 95) = ( 0.0158730 0.2107679 0.0688749), wk = 0.0016694 k( 96) = ( 0.0198413 0.2107679 0.0688749), wk = 0.0016694 k( 97) = ( 0.0238095 0.2107679 0.0688749), wk = 0.0016694 k( 98) = ( 0.0277778 0.2107679 0.0688749), wk = 0.0016694 k( 99) = ( 0.0317460 0.2107679 0.0688749), wk = 0.0016694 k( 100) = ( 0.0357143 0.2107679 0.0688749), wk = 0.0016694 k( 101) = ( 0.0396825 0.2107679 0.0688749), wk = 0.0016694 k( 102) = ( 0.0436508 0.2107679 0.0688749), wk = 0.0016694 k( 103) = ( 0.0476191 0.2107679 0.0688749), wk = 0.0016694 k( 104) = ( 0.0515873 0.2107679 0.0688749), wk = 0.0016694 k( 105) = ( 0.0555556 0.2107679 0.0688749), wk = 0.0016694 k( 106) = ( 0.0595238 0.2107679 0.0688749), wk = 0.0016694 k( 107) = ( 0.0634921 0.2107679 0.0688749), wk = 0.0016694 k( 108) = ( 0.0674603 0.2107679 0.0688749), wk = 0.0016694 k( 109) = ( 0.0714286 0.2107679 0.0688749), wk = 0.0016694 k( 110) = ( 0.0753968 0.2107679 0.0688749), wk = 0.0016694 k( 111) = ( 0.0793651 0.2107679 0.0688749), wk = 0.0016694 k( 112) = ( 0.0833333 0.2107679 0.0688749), wk = 0.0016694 k( 113) = ( 0.0873016 0.2107679 0.0688749), wk = 0.0016694 k( 114) = ( 0.0912698 0.2107679 0.0688749), wk = 0.0016694 k( 115) = ( 0.0952381 0.2107679 0.0688749), wk = 0.0016694 k( 116) = ( 0.0992063 0.2107679 0.0688749), wk = 0.0016694 k( 117) = ( 0.1031746 0.2107679 0.0688749), wk = 0.0016694 k( 118) = ( 0.1071429 0.2107679 0.0688749), wk = 0.0016694 k( 119) = ( 0.1111111 0.2107679 0.0688749), wk = 0.0016694 k( 120) = ( 0.1150794 0.2107679 0.0688749), wk = 0.0016694 k( 121) = ( 0.1190476 0.2107679 0.0688749), wk = 0.0016694 k( 122) = ( 0.1230159 0.2107679 0.0688749), wk = 0.0016694 k( 123) = ( 0.1269841 0.2107679 0.0688749), wk = 0.0016694 k( 124) = ( 0.1309524 0.2107679 0.0688749), wk = 0.0016694 k( 125) = ( 0.1349206 0.2107679 0.0688749), wk = 0.0016694 k( 126) = ( 0.1388889 0.2107679 0.0688749), wk = 0.0016694 k( 127) = ( 0.1428571 0.2107679 0.0688749), wk = 0.0016694 k( 128) = ( 0.1468254 0.2107679 0.0688749), wk = 0.0016694 k( 129) = ( 0.1507937 0.2107679 0.0688749), wk = 0.0016694 k( 130) = ( 0.1547619 0.2107679 0.0688749), wk = 0.0016694 k( 131) = ( 0.1587302 0.2107679 0.0688749), wk = 0.0016694 k( 132) = ( 0.1626984 0.2107679 0.0688749), wk = 0.0016694 k( 133) = ( 0.1666667 0.2107679 0.0688749), wk = 0.0016694 k( 134) = ( 0.1706349 0.2107679 0.0688749), wk = 0.0016694 k( 135) = ( 0.1746032 0.2107679 0.0688749), wk = 0.0016694 k( 136) = ( 0.1785714 0.2107679 0.0688749), wk = 0.0016694 k( 137) = ( 0.1825397 0.2107679 0.0688749), wk = 0.0016694 k( 138) = ( 0.1865079 0.2107679 0.0688749), wk = 0.0016694 k( 139) = ( 0.1904762 0.2107679 0.0688749), wk = 0.0016694 k( 140) = ( 0.1944444 0.2107679 0.0688749), wk = 0.0016694 k( 141) = ( 0.1984127 0.2107679 0.0688749), wk = 0.0016694 k( 142) = ( 0.2023810 0.2107679 0.0688749), wk = 0.0016694 k( 143) = ( 0.2063492 0.2107679 0.0688749), wk = 0.0016694 k( 144) = ( 0.2103175 0.2107679 0.0688749), wk = 0.0016694 k( 145) = ( 0.2142857 0.2107679 0.0688749), wk = 0.0016694 k( 146) = ( 0.2182540 0.2107679 0.0688749), wk = 0.0016694 k( 147) = ( 0.2222222 0.2107679 0.0688749), wk = 0.0016694 k( 148) = ( 0.2261905 0.2107679 0.0688749), wk = 0.0016694 k( 149) = ( 0.2301587 0.2107679 0.0688749), wk = 0.0016694 k( 150) = ( 0.2341270 0.2107679 0.0688749), wk = 0.0016694 k( 151) = ( 0.2380952 0.2107679 0.0688749), wk = 0.0016694 k( 152) = ( 0.2420635 0.2107679 0.0688749), wk = 0.0016694 k( 153) = ( 0.2460317 0.2107679 0.0688749), wk = 0.0016694 k( 154) = ( 0.2500000 0.2107679 0.0688749), wk = 0.0016694 k( 155) = ( 0.2539683 0.2107679 0.0688749), wk = 0.0016694 k( 156) = ( 0.2579365 0.2107679 0.0688749), wk = 0.0016694 k( 157) = ( 0.2619048 0.2107679 0.0688749), wk = 0.0016694 k( 158) = ( 0.2658730 0.2107679 0.0688749), wk = 0.0016694 k( 159) = ( 0.2698413 0.2107679 0.0688749), wk = 0.0016694 k( 160) = ( 0.2738095 0.2107679 0.0688749), wk = 0.0016694 k( 161) = ( 0.2777778 0.2107679 0.0688749), wk = 0.0016694 k( 162) = ( 0.2817460 0.2107679 0.0688749), wk = 0.0016694 k( 163) = ( 0.2857143 0.2107679 0.0688749), wk = 0.0016694 k( 164) = ( 0.2896825 0.2107679 0.0688749), wk = 0.0016694 k( 165) = ( 0.2936508 0.2107679 0.0688749), wk = 0.0016694 k( 166) = ( 0.2976190 0.2107679 0.0688749), wk = 0.0016694 k( 167) = ( 0.3015873 0.2107679 0.0688749), wk = 0.0016694 k( 168) = ( 0.3055556 0.2107679 0.0688749), wk = 0.0016694 k( 169) = ( 0.3095238 0.2107679 0.0688749), wk = 0.0016694 k( 170) = ( 0.3134921 0.2107679 0.0688749), wk = 0.0016694 k( 171) = ( 0.3174603 0.2107679 0.0688749), wk = 0.0016694 k( 172) = ( 0.3214286 0.2107679 0.0688749), wk = 0.0016694 k( 173) = ( 0.3253968 0.2107679 0.0688749), wk = 0.0016694 k( 174) = ( 0.3293651 0.2107679 0.0688749), wk = 0.0016694 k( 175) = ( 0.3333333 0.2107679 0.0688749), wk = 0.0016694 k( 176) = ( 0.3373016 0.2107679 0.0688749), wk = 0.0016694 k( 177) = ( 0.3412698 0.2107679 0.0688749), wk = 0.0016694 k( 178) = ( 0.3452381 0.2107679 0.0688749), wk = 0.0016694 k( 179) = ( 0.3492063 0.2107679 0.0688749), wk = 0.0016694 k( 180) = ( 0.3531746 0.2107679 0.0688749), wk = 0.0016694 k( 181) = ( 0.3571429 0.2107679 0.0688749), wk = 0.0016694 k( 182) = ( 0.3611111 0.2107679 0.0688749), wk = 0.0016694 k( 183) = ( 0.3650794 0.2107679 0.0688749), wk = 0.0016694 k( 184) = ( 0.3690476 0.2107679 0.0688749), wk = 0.0016694 k( 185) = ( 0.3730159 0.2107679 0.0688749), wk = 0.0016694 k( 186) = ( 0.3769841 0.2107679 0.0688749), wk = 0.0016694 k( 187) = ( 0.3809524 0.2107679 0.0688749), wk = 0.0016694 k( 188) = ( 0.3849206 0.2107679 0.0688749), wk = 0.0016694 k( 189) = ( 0.3888889 0.2107679 0.0688749), wk = 0.0016694 k( 190) = ( 0.3928571 0.2107679 0.0688749), wk = 0.0016694 k( 191) = ( 0.3968254 0.2107679 0.0688749), wk = 0.0016694 k( 192) = ( 0.4007937 0.2107679 0.0688749), wk = 0.0016694 k( 193) = ( 0.4047619 0.2107679 0.0688749), wk = 0.0016694 k( 194) = ( 0.4087302 0.2107679 0.0688749), wk = 0.0016694 k( 195) = ( 0.4126984 0.2107679 0.0688749), wk = 0.0016694 k( 196) = ( 0.4166667 0.2107679 0.0688749), wk = 0.0016694 k( 197) = ( 0.4206349 0.2107679 0.0688749), wk = 0.0016694 k( 198) = ( 0.4246032 0.2107679 0.0688749), wk = 0.0016694 k( 199) = ( 0.4285714 0.2107679 0.0688749), wk = 0.0016694 k( 200) = ( 0.4325397 0.2107679 0.0688749), wk = 0.0016694 k( 201) = ( 0.4365079 0.2107679 0.0688749), wk = 0.0016694 k( 202) = ( 0.4404762 0.2107679 0.0688749), wk = 0.0016694 k( 203) = ( 0.4444444 0.2107679 0.0688749), wk = 0.0016694 k( 204) = ( 0.4484127 0.2107679 0.0688749), wk = 0.0016694 k( 205) = ( 0.4523810 0.2107679 0.0688749), wk = 0.0016694 k( 206) = ( 0.4563492 0.2107679 0.0688749), wk = 0.0016694 k( 207) = ( 0.4603175 0.2107679 0.0688749), wk = 0.0016694 k( 208) = ( 0.4642857 0.2107679 0.0688749), wk = 0.0016694 k( 209) = ( 0.4682540 0.2107679 0.0688749), wk = 0.0016694 k( 210) = ( 0.4722222 0.2107679 0.0688749), wk = 0.0016694 k( 211) = ( 0.4761905 0.2107679 0.0688749), wk = 0.0016694 k( 212) = ( 0.4801587 0.2107679 0.0688749), wk = 0.0016694 k( 213) = ( 0.4841270 0.2107679 0.0688749), wk = 0.0016694 k( 214) = ( 0.4880952 0.2107679 0.0688749), wk = 0.0016694 k( 215) = ( 0.4920635 0.2107679 0.0688749), wk = 0.0016694 k( 216) = ( 0.4960317 0.2107679 0.0688749), wk = 0.0016694 k( 217) = ( 0.5000000 0.2107679 0.0688749), wk = 0.0016694 k( 218) = ( 0.5000000 0.2107679 0.0688749), wk = 0.0016694 k( 219) = ( 0.5000000 0.2118943 0.0654278), wk = 0.0016694 k( 220) = ( 0.5000000 0.2130207 0.0619807), wk = 0.0016694 k( 221) = ( 0.5000000 0.2141472 0.0585336), wk = 0.0016694 k( 222) = ( 0.5000000 0.2152736 0.0550865), wk = 0.0016694 k( 223) = ( 0.5000000 0.2164001 0.0516395), wk = 0.0016694 k( 224) = ( 0.5000000 0.2175265 0.0481924), wk = 0.0016694 k( 225) = ( 0.5000000 0.2186530 0.0447453), wk = 0.0016694 k( 226) = ( 0.5000000 0.2197794 0.0412982), wk = 0.0016694 k( 227) = ( 0.5000000 0.2209058 0.0378511), wk = 0.0016694 k( 228) = ( 0.5000000 0.2220323 0.0344040), wk = 0.0016694 k( 229) = ( 0.5000000 0.2220323 0.0344040), wk = 0.0016694 k( 230) = ( 0.5000000 0.2214065 0.0305776), wk = 0.0016694 k( 231) = ( 0.5000000 0.2207807 0.0267512), wk = 0.0016694 k( 232) = ( 0.5000000 0.2201549 0.0229249), wk = 0.0016694 k( 233) = ( 0.5000000 0.2195291 0.0190985), wk = 0.0016694 k( 234) = ( 0.5000000 0.2189033 0.0152721), wk = 0.0016694 k( 235) = ( 0.5000000 0.2182775 0.0114457), wk = 0.0016694 k( 236) = ( 0.5000000 0.2176517 0.0076193), wk = 0.0016694 k( 237) = ( 0.5000000 0.2170259 0.0037929), wk = 0.0016694 k( 238) = ( 0.5000000 0.2164001 -0.0000334), wk = 0.0016694 k( 239) = ( 0.5000000 0.2157743 -0.0038598), wk = 0.0016694 k( 240) = ( 0.5000000 0.2151485 -0.0076862), wk = 0.0016694 k( 241) = ( 0.5000000 0.2145227 -0.0115126), wk = 0.0016694 k( 242) = ( 0.5000000 0.2138969 -0.0153390), wk = 0.0016694 k( 243) = ( 0.5000000 0.2132711 -0.0191653), wk = 0.0016694 k( 244) = ( 0.5000000 0.2126453 -0.0229917), wk = 0.0016694 k( 245) = ( 0.5000000 0.2120195 -0.0268181), wk = 0.0016694 k( 246) = ( 0.5000000 0.2113937 -0.0306445), wk = 0.0016694 k( 247) = ( 0.5000000 0.2107679 -0.0344709), wk = 0.0016694 k( 248) = ( 0.5000000 0.2107679 -0.0344709), wk = 0.0016694 k( 249) = ( 0.4960317 0.2107679 -0.0344709), wk = 0.0016694 k( 250) = ( 0.4920635 0.2107679 -0.0344709), wk = 0.0016694 k( 251) = ( 0.4880952 0.2107679 -0.0344709), wk = 0.0016694 k( 252) = ( 0.4841270 0.2107679 -0.0344709), wk = 0.0016694 k( 253) = ( 0.4801587 0.2107679 -0.0344709), wk = 0.0016694 k( 254) = ( 0.4761905 0.2107679 -0.0344709), wk = 0.0016694 k( 255) = ( 0.4722222 0.2107679 -0.0344709), wk = 0.0016694 k( 256) = ( 0.4682540 0.2107679 -0.0344709), wk = 0.0016694 k( 257) = ( 0.4642857 0.2107679 -0.0344709), wk = 0.0016694 k( 258) = ( 0.4603175 0.2107679 -0.0344709), wk = 0.0016694 k( 259) = ( 0.4563492 0.2107679 -0.0344709), wk = 0.0016694 k( 260) = ( 0.4523810 0.2107679 -0.0344709), wk = 0.0016694 k( 261) = ( 0.4484127 0.2107679 -0.0344709), wk = 0.0016694 k( 262) = ( 0.4444444 0.2107679 -0.0344709), wk = 0.0016694 k( 263) = ( 0.4404762 0.2107679 -0.0344709), wk = 0.0016694 k( 264) = ( 0.4365079 0.2107679 -0.0344709), wk = 0.0016694 k( 265) = ( 0.4325397 0.2107679 -0.0344709), wk = 0.0016694 k( 266) = ( 0.4285714 0.2107679 -0.0344709), wk = 0.0016694 k( 267) = ( 0.4246032 0.2107679 -0.0344709), wk = 0.0016694 k( 268) = ( 0.4206349 0.2107679 -0.0344709), wk = 0.0016694 k( 269) = ( 0.4166667 0.2107679 -0.0344709), wk = 0.0016694 k( 270) = ( 0.4126984 0.2107679 -0.0344709), wk = 0.0016694 k( 271) = ( 0.4087302 0.2107679 -0.0344709), wk = 0.0016694 k( 272) = ( 0.4047619 0.2107679 -0.0344709), wk = 0.0016694 k( 273) = ( 0.4007937 0.2107679 -0.0344709), wk = 0.0016694 k( 274) = ( 0.3968254 0.2107679 -0.0344709), wk = 0.0016694 k( 275) = ( 0.3928571 0.2107679 -0.0344709), wk = 0.0016694 k( 276) = ( 0.3888889 0.2107679 -0.0344709), wk = 0.0016694 k( 277) = ( 0.3849206 0.2107679 -0.0344709), wk = 0.0016694 k( 278) = ( 0.3809524 0.2107679 -0.0344709), wk = 0.0016694 k( 279) = ( 0.3769841 0.2107679 -0.0344709), wk = 0.0016694 k( 280) = ( 0.3730159 0.2107679 -0.0344709), wk = 0.0016694 k( 281) = ( 0.3690476 0.2107679 -0.0344709), wk = 0.0016694 k( 282) = ( 0.3650794 0.2107679 -0.0344709), wk = 0.0016694 k( 283) = ( 0.3611111 0.2107679 -0.0344709), wk = 0.0016694 k( 284) = ( 0.3571429 0.2107679 -0.0344709), wk = 0.0016694 k( 285) = ( 0.3531746 0.2107679 -0.0344709), wk = 0.0016694 k( 286) = ( 0.3492063 0.2107679 -0.0344709), wk = 0.0016694 k( 287) = ( 0.3452381 0.2107679 -0.0344709), wk = 0.0016694 k( 288) = ( 0.3412698 0.2107679 -0.0344709), wk = 0.0016694 k( 289) = ( 0.3373016 0.2107679 -0.0344709), wk = 0.0016694 k( 290) = ( 0.3333333 0.2107679 -0.0344709), wk = 0.0016694 k( 291) = ( 0.3293651 0.2107679 -0.0344709), wk = 0.0016694 k( 292) = ( 0.3253968 0.2107679 -0.0344709), wk = 0.0016694 k( 293) = ( 0.3214286 0.2107679 -0.0344709), wk = 0.0016694 k( 294) = ( 0.3174603 0.2107679 -0.0344709), wk = 0.0016694 k( 295) = ( 0.3134921 0.2107679 -0.0344709), wk = 0.0016694 k( 296) = ( 0.3095238 0.2107679 -0.0344709), wk = 0.0016694 k( 297) = ( 0.3055556 0.2107679 -0.0344709), wk = 0.0016694 k( 298) = ( 0.3015873 0.2107679 -0.0344709), wk = 0.0016694 k( 299) = ( 0.2976190 0.2107679 -0.0344709), wk = 0.0016694 k( 300) = ( 0.2936508 0.2107679 -0.0344709), wk = 0.0016694 k( 301) = ( 0.2896825 0.2107679 -0.0344709), wk = 0.0016694 k( 302) = ( 0.2857143 0.2107679 -0.0344709), wk = 0.0016694 k( 303) = ( 0.2817460 0.2107679 -0.0344709), wk = 0.0016694 k( 304) = ( 0.2777778 0.2107679 -0.0344709), wk = 0.0016694 k( 305) = ( 0.2738095 0.2107679 -0.0344709), wk = 0.0016694 k( 306) = ( 0.2698413 0.2107679 -0.0344709), wk = 0.0016694 k( 307) = ( 0.2658730 0.2107679 -0.0344709), wk = 0.0016694 k( 308) = ( 0.2619048 0.2107679 -0.0344709), wk = 0.0016694 k( 309) = ( 0.2579365 0.2107679 -0.0344709), wk = 0.0016694 k( 310) = ( 0.2539683 0.2107679 -0.0344709), wk = 0.0016694 k( 311) = ( 0.2500000 0.2107679 -0.0344709), wk = 0.0016694 k( 312) = ( 0.2460317 0.2107679 -0.0344709), wk = 0.0016694 k( 313) = ( 0.2420635 0.2107679 -0.0344709), wk = 0.0016694 k( 314) = ( 0.2380952 0.2107679 -0.0344709), wk = 0.0016694 k( 315) = ( 0.2341270 0.2107679 -0.0344709), wk = 0.0016694 k( 316) = ( 0.2301587 0.2107679 -0.0344709), wk = 0.0016694 k( 317) = ( 0.2261905 0.2107679 -0.0344709), wk = 0.0016694 k( 318) = ( 0.2222222 0.2107679 -0.0344709), wk = 0.0016694 k( 319) = ( 0.2182540 0.2107679 -0.0344709), wk = 0.0016694 k( 320) = ( 0.2142857 0.2107679 -0.0344709), wk = 0.0016694 k( 321) = ( 0.2103175 0.2107679 -0.0344709), wk = 0.0016694 k( 322) = ( 0.2063492 0.2107679 -0.0344709), wk = 0.0016694 k( 323) = ( 0.2023810 0.2107679 -0.0344709), wk = 0.0016694 k( 324) = ( 0.1984127 0.2107679 -0.0344709), wk = 0.0016694 k( 325) = ( 0.1944444 0.2107679 -0.0344709), wk = 0.0016694 k( 326) = ( 0.1904762 0.2107679 -0.0344709), wk = 0.0016694 k( 327) = ( 0.1865079 0.2107679 -0.0344709), wk = 0.0016694 k( 328) = ( 0.1825397 0.2107679 -0.0344709), wk = 0.0016694 k( 329) = ( 0.1785714 0.2107679 -0.0344709), wk = 0.0016694 k( 330) = ( 0.1746032 0.2107679 -0.0344709), wk = 0.0016694 k( 331) = ( 0.1706349 0.2107679 -0.0344709), wk = 0.0016694 k( 332) = ( 0.1666667 0.2107679 -0.0344709), wk = 0.0016694 k( 333) = ( 0.1626984 0.2107679 -0.0344709), wk = 0.0016694 k( 334) = ( 0.1587302 0.2107679 -0.0344709), wk = 0.0016694 k( 335) = ( 0.1547619 0.2107679 -0.0344709), wk = 0.0016694 k( 336) = ( 0.1507937 0.2107679 -0.0344709), wk = 0.0016694 k( 337) = ( 0.1468254 0.2107679 -0.0344709), wk = 0.0016694 k( 338) = ( 0.1428571 0.2107679 -0.0344709), wk = 0.0016694 k( 339) = ( 0.1388889 0.2107679 -0.0344709), wk = 0.0016694 k( 340) = ( 0.1349206 0.2107679 -0.0344709), wk = 0.0016694 k( 341) = ( 0.1309524 0.2107679 -0.0344709), wk = 0.0016694 k( 342) = ( 0.1269841 0.2107679 -0.0344709), wk = 0.0016694 k( 343) = ( 0.1230159 0.2107679 -0.0344709), wk = 0.0016694 k( 344) = ( 0.1190476 0.2107679 -0.0344709), wk = 0.0016694 k( 345) = ( 0.1150794 0.2107679 -0.0344709), wk = 0.0016694 k( 346) = ( 0.1111111 0.2107679 -0.0344709), wk = 0.0016694 k( 347) = ( 0.1071429 0.2107679 -0.0344709), wk = 0.0016694 k( 348) = ( 0.1031746 0.2107679 -0.0344709), wk = 0.0016694 k( 349) = ( 0.0992063 0.2107679 -0.0344709), wk = 0.0016694 k( 350) = ( 0.0952381 0.2107679 -0.0344709), wk = 0.0016694 k( 351) = ( 0.0912698 0.2107679 -0.0344709), wk = 0.0016694 k( 352) = ( 0.0873016 0.2107679 -0.0344709), wk = 0.0016694 k( 353) = ( 0.0833333 0.2107679 -0.0344709), wk = 0.0016694 k( 354) = ( 0.0793651 0.2107679 -0.0344709), wk = 0.0016694 k( 355) = ( 0.0753968 0.2107679 -0.0344709), wk = 0.0016694 k( 356) = ( 0.0714286 0.2107679 -0.0344709), wk = 0.0016694 k( 357) = ( 0.0674603 0.2107679 -0.0344709), wk = 0.0016694 k( 358) = ( 0.0634921 0.2107679 -0.0344709), wk = 0.0016694 k( 359) = ( 0.0595238 0.2107679 -0.0344709), wk = 0.0016694 k( 360) = ( 0.0555556 0.2107679 -0.0344709), wk = 0.0016694 k( 361) = ( 0.0515873 0.2107679 -0.0344709), wk = 0.0016694 k( 362) = ( 0.0476191 0.2107679 -0.0344709), wk = 0.0016694 k( 363) = ( 0.0436508 0.2107679 -0.0344709), wk = 0.0016694 k( 364) = ( 0.0396825 0.2107679 -0.0344709), wk = 0.0016694 k( 365) = ( 0.0357143 0.2107679 -0.0344709), wk = 0.0016694 k( 366) = ( 0.0317460 0.2107679 -0.0344709), wk = 0.0016694 k( 367) = ( 0.0277778 0.2107679 -0.0344709), wk = 0.0016694 k( 368) = ( 0.0238095 0.2107679 -0.0344709), wk = 0.0016694 k( 369) = ( 0.0198413 0.2107679 -0.0344709), wk = 0.0016694 k( 370) = ( 0.0158730 0.2107679 -0.0344709), wk = 0.0016694 k( 371) = ( 0.0119048 0.2107679 -0.0344709), wk = 0.0016694 k( 372) = ( 0.0079365 0.2107679 -0.0344709), wk = 0.0016694 k( 373) = ( 0.0039683 0.2107679 -0.0344709), wk = 0.0016694 k( 374) = ( 0.0000000 0.2107679 -0.0344709), wk = 0.0016694 k( 375) = ( 0.0000000 0.2107679 -0.0344709), wk = 0.0016694 k( 376) = ( 0.0000000 0.2113937 -0.0306445), wk = 0.0016694 k( 377) = ( 0.0000000 0.2120195 -0.0268181), wk = 0.0016694 k( 378) = ( 0.0000000 0.2126453 -0.0229917), wk = 0.0016694 k( 379) = ( 0.0000000 0.2132711 -0.0191653), wk = 0.0016694 k( 380) = ( 0.0000000 0.2138969 -0.0153390), wk = 0.0016694 k( 381) = ( 0.0000000 0.2145227 -0.0115126), wk = 0.0016694 k( 382) = ( 0.0000000 0.2151485 -0.0076862), wk = 0.0016694 k( 383) = ( 0.0000000 0.2157743 -0.0038598), wk = 0.0016694 k( 384) = ( 0.0000000 0.2164001 -0.0000334), wk = 0.0016694 k( 385) = ( 0.0000000 0.2170259 0.0037929), wk = 0.0016694 k( 386) = ( 0.0000000 0.2176517 0.0076193), wk = 0.0016694 k( 387) = ( 0.0000000 0.2182775 0.0114457), wk = 0.0016694 k( 388) = ( 0.0000000 0.2189033 0.0152721), wk = 0.0016694 k( 389) = ( 0.0000000 0.2195291 0.0190985), wk = 0.0016694 k( 390) = ( 0.0000000 0.2201549 0.0229249), wk = 0.0016694 k( 391) = ( 0.0000000 0.2207807 0.0267512), wk = 0.0016694 k( 392) = ( 0.0000000 0.2214065 0.0305776), wk = 0.0016694 k( 393) = ( 0.0000000 0.2220323 0.0344040), wk = 0.0016694 k( 394) = ( 0.5000000 0.1995034 0.1033458), wk = 0.0016694 k( 395) = ( 0.5000000 0.1955916 0.1033458), wk = 0.0016694 k( 396) = ( 0.5000000 0.1916798 0.1033458), wk = 0.0016694 k( 397) = ( 0.5000000 0.1877679 0.1033458), wk = 0.0016694 k( 398) = ( 0.5000000 0.1838561 0.1033458), wk = 0.0016694 k( 399) = ( 0.5000000 0.1799443 0.1033458), wk = 0.0016694 k( 400) = ( 0.5000000 0.1760324 0.1033458), wk = 0.0016694 k( 401) = ( 0.5000000 0.1721206 0.1033458), wk = 0.0016694 k( 402) = ( 0.5000000 0.1682088 0.1033458), wk = 0.0016694 k( 403) = ( 0.5000000 0.1642969 0.1033458), wk = 0.0016694 k( 404) = ( 0.5000000 0.1603851 0.1033458), wk = 0.0016694 k( 405) = ( 0.5000000 0.1564733 0.1033458), wk = 0.0016694 k( 406) = ( 0.5000000 0.1525614 0.1033458), wk = 0.0016694 k( 407) = ( 0.5000000 0.1486496 0.1033458), wk = 0.0016694 k( 408) = ( 0.5000000 0.1447378 0.1033458), wk = 0.0016694 k( 409) = ( 0.5000000 0.1408260 0.1033458), wk = 0.0016694 k( 410) = ( 0.5000000 0.1369141 0.1033458), wk = 0.0016694 k( 411) = ( 0.5000000 0.1330023 0.1033458), wk = 0.0016694 k( 412) = ( 0.5000000 0.1290905 0.1033458), wk = 0.0016694 k( 413) = ( 0.5000000 0.1251786 0.1033458), wk = 0.0016694 k( 414) = ( 0.5000000 0.1212668 0.1033458), wk = 0.0016694 k( 415) = ( 0.5000000 0.1173550 0.1033458), wk = 0.0016694 k( 416) = ( 0.5000000 0.1134431 0.1033458), wk = 0.0016694 k( 417) = ( 0.5000000 0.1095313 0.1033458), wk = 0.0016694 k( 418) = ( 0.5000000 0.1056195 0.1033458), wk = 0.0016694 k( 419) = ( 0.5000000 0.1017076 0.1033458), wk = 0.0016694 k( 420) = ( 0.5000000 0.0977958 0.1033458), wk = 0.0016694 k( 421) = ( 0.5000000 0.0938840 0.1033458), wk = 0.0016694 k( 422) = ( 0.5000000 0.0899721 0.1033458), wk = 0.0016694 k( 423) = ( 0.5000000 0.0860603 0.1033458), wk = 0.0016694 k( 424) = ( 0.5000000 0.0821485 0.1033458), wk = 0.0016694 k( 425) = ( 0.5000000 0.0782366 0.1033458), wk = 0.0016694 k( 426) = ( 0.5000000 0.0743248 0.1033458), wk = 0.0016694 k( 427) = ( 0.5000000 0.0704130 0.1033458), wk = 0.0016694 k( 428) = ( 0.5000000 0.0665011 0.1033458), wk = 0.0016694 k( 429) = ( 0.5000000 0.0625893 0.1033458), wk = 0.0016694 k( 430) = ( 0.5000000 0.0586775 0.1033458), wk = 0.0016694 k( 431) = ( 0.5000000 0.0547656 0.1033458), wk = 0.0016694 k( 432) = ( 0.5000000 0.0508538 0.1033458), wk = 0.0016694 k( 433) = ( 0.5000000 0.0469420 0.1033458), wk = 0.0016694 k( 434) = ( 0.5000000 0.0430302 0.1033458), wk = 0.0016694 k( 435) = ( 0.5000000 0.0391183 0.1033458), wk = 0.0016694 k( 436) = ( 0.5000000 0.0352065 0.1033458), wk = 0.0016694 k( 437) = ( 0.5000000 0.0312947 0.1033458), wk = 0.0016694 k( 438) = ( 0.5000000 0.0273828 0.1033458), wk = 0.0016694 k( 439) = ( 0.5000000 0.0234710 0.1033458), wk = 0.0016694 k( 440) = ( 0.5000000 0.0195592 0.1033458), wk = 0.0016694 k( 441) = ( 0.5000000 0.0156473 0.1033458), wk = 0.0016694 k( 442) = ( 0.5000000 0.0117355 0.1033458), wk = 0.0016694 k( 443) = ( 0.5000000 0.0078237 0.1033458), wk = 0.0016694 k( 444) = ( 0.5000000 0.0039118 0.1033458), wk = 0.0016694 k( 445) = ( 0.5000000 -0.0000000 0.1033458), wk = 0.0016694 k( 446) = ( 0.5000000 -0.0000000 0.1033458), wk = 0.0016694 k( 447) = ( 0.5000000 -0.0000000 0.0993709), wk = 0.0016694 k( 448) = ( 0.5000000 -0.0000000 0.0953961), wk = 0.0016694 k( 449) = ( 0.5000000 -0.0000000 0.0914213), wk = 0.0016694 k( 450) = ( 0.5000000 -0.0000000 0.0874464), wk = 0.0016694 k( 451) = ( 0.5000000 -0.0000000 0.0834716), wk = 0.0016694 k( 452) = ( 0.5000000 -0.0000000 0.0794968), wk = 0.0016694 k( 453) = ( 0.5000000 -0.0000000 0.0755219), wk = 0.0016694 k( 454) = ( 0.5000000 -0.0000000 0.0715471), wk = 0.0016694 k( 455) = ( 0.5000000 -0.0000000 0.0675722), wk = 0.0016694 k( 456) = ( 0.5000000 -0.0000000 0.0635974), wk = 0.0016694 k( 457) = ( 0.5000000 -0.0000000 0.0596226), wk = 0.0016694 k( 458) = ( 0.5000000 -0.0000000 0.0556477), wk = 0.0016694 k( 459) = ( 0.5000000 -0.0000000 0.0516729), wk = 0.0016694 k( 460) = ( 0.5000000 -0.0000000 0.0476981), wk = 0.0016694 k( 461) = ( 0.5000000 -0.0000000 0.0437232), wk = 0.0016694 k( 462) = ( 0.5000000 -0.0000000 0.0397484), wk = 0.0016694 k( 463) = ( 0.5000000 -0.0000000 0.0357735), wk = 0.0016694 k( 464) = ( 0.5000000 -0.0000000 0.0317987), wk = 0.0016694 k( 465) = ( 0.5000000 -0.0000000 0.0278239), wk = 0.0016694 k( 466) = ( 0.5000000 -0.0000000 0.0238490), wk = 0.0016694 k( 467) = ( 0.5000000 -0.0000000 0.0198742), wk = 0.0016694 k( 468) = ( 0.5000000 -0.0000000 0.0158994), wk = 0.0016694 k( 469) = ( 0.5000000 -0.0000000 0.0119245), wk = 0.0016694 k( 470) = ( 0.5000000 -0.0000000 0.0079497), wk = 0.0016694 k( 471) = ( 0.5000000 -0.0000000 0.0039748), wk = 0.0016694 k( 472) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0016694 k( 473) = ( 0.0000000 0.0000000 0.1033458), wk = 0.0016694 k( 474) = ( 0.0039683 -0.0000000 0.1033458), wk = 0.0016694 k( 475) = ( 0.0079365 -0.0000000 0.1033458), wk = 0.0016694 k( 476) = ( 0.0119048 -0.0000000 0.1033458), wk = 0.0016694 k( 477) = ( 0.0158730 -0.0000000 0.1033458), wk = 0.0016694 k( 478) = ( 0.0198413 -0.0000000 0.1033458), wk = 0.0016694 k( 479) = ( 0.0238095 -0.0000000 0.1033458), wk = 0.0016694 k( 480) = ( 0.0277778 -0.0000000 0.1033458), wk = 0.0016694 k( 481) = ( 0.0317460 -0.0000000 0.1033458), wk = 0.0016694 k( 482) = ( 0.0357143 -0.0000000 0.1033458), wk = 0.0016694 k( 483) = ( 0.0396825 -0.0000000 0.1033458), wk = 0.0016694 k( 484) = ( 0.0436508 -0.0000000 0.1033458), wk = 0.0016694 k( 485) = ( 0.0476191 -0.0000000 0.1033458), wk = 0.0016694 k( 486) = ( 0.0515873 -0.0000000 0.1033458), wk = 0.0016694 k( 487) = ( 0.0555556 -0.0000000 0.1033458), wk = 0.0016694 k( 488) = ( 0.0595238 -0.0000000 0.1033458), wk = 0.0016694 k( 489) = ( 0.0634921 -0.0000000 0.1033458), wk = 0.0016694 k( 490) = ( 0.0674603 -0.0000000 0.1033458), wk = 0.0016694 k( 491) = ( 0.0714286 -0.0000000 0.1033458), wk = 0.0016694 k( 492) = ( 0.0753968 -0.0000000 0.1033458), wk = 0.0016694 k( 493) = ( 0.0793651 -0.0000000 0.1033458), wk = 0.0016694 k( 494) = ( 0.0833333 -0.0000000 0.1033458), wk = 0.0016694 k( 495) = ( 0.0873016 -0.0000000 0.1033458), wk = 0.0016694 k( 496) = ( 0.0912698 -0.0000000 0.1033458), wk = 0.0016694 k( 497) = ( 0.0952381 -0.0000000 0.1033458), wk = 0.0016694 k( 498) = ( 0.0992063 -0.0000000 0.1033458), wk = 0.0016694 k( 499) = ( 0.1031746 -0.0000000 0.1033458), wk = 0.0016694 k( 500) = ( 0.1071429 -0.0000000 0.1033458), wk = 0.0016694 k( 501) = ( 0.1111111 -0.0000000 0.1033458), wk = 0.0016694 k( 502) = ( 0.1150794 -0.0000000 0.1033458), wk = 0.0016694 k( 503) = ( 0.1190476 -0.0000000 0.1033458), wk = 0.0016694 k( 504) = ( 0.1230159 -0.0000000 0.1033458), wk = 0.0016694 k( 505) = ( 0.1269841 -0.0000000 0.1033458), wk = 0.0016694 k( 506) = ( 0.1309524 -0.0000000 0.1033458), wk = 0.0016694 k( 507) = ( 0.1349206 -0.0000000 0.1033458), wk = 0.0016694 k( 508) = ( 0.1388889 -0.0000000 0.1033458), wk = 0.0016694 k( 509) = ( 0.1428571 -0.0000000 0.1033458), wk = 0.0016694 k( 510) = ( 0.1468254 -0.0000000 0.1033458), wk = 0.0016694 k( 511) = ( 0.1507937 -0.0000000 0.1033458), wk = 0.0016694 k( 512) = ( 0.1547619 -0.0000000 0.1033458), wk = 0.0016694 k( 513) = ( 0.1587302 -0.0000000 0.1033458), wk = 0.0016694 k( 514) = ( 0.1626984 -0.0000000 0.1033458), wk = 0.0016694 k( 515) = ( 0.1666667 -0.0000000 0.1033458), wk = 0.0016694 k( 516) = ( 0.1706349 -0.0000000 0.1033458), wk = 0.0016694 k( 517) = ( 0.1746032 -0.0000000 0.1033458), wk = 0.0016694 k( 518) = ( 0.1785714 -0.0000000 0.1033458), wk = 0.0016694 k( 519) = ( 0.1825397 -0.0000000 0.1033458), wk = 0.0016694 k( 520) = ( 0.1865079 -0.0000000 0.1033458), wk = 0.0016694 k( 521) = ( 0.1904762 -0.0000000 0.1033458), wk = 0.0016694 k( 522) = ( 0.1944444 -0.0000000 0.1033458), wk = 0.0016694 k( 523) = ( 0.1984127 -0.0000000 0.1033458), wk = 0.0016694 k( 524) = ( 0.2023810 -0.0000000 0.1033458), wk = 0.0016694 k( 525) = ( 0.2063492 -0.0000000 0.1033458), wk = 0.0016694 k( 526) = ( 0.2103175 -0.0000000 0.1033458), wk = 0.0016694 k( 527) = ( 0.2142857 -0.0000000 0.1033458), wk = 0.0016694 k( 528) = ( 0.2182540 -0.0000000 0.1033458), wk = 0.0016694 k( 529) = ( 0.2222222 -0.0000000 0.1033458), wk = 0.0016694 k( 530) = ( 0.2261905 -0.0000000 0.1033458), wk = 0.0016694 k( 531) = ( 0.2301587 -0.0000000 0.1033458), wk = 0.0016694 k( 532) = ( 0.2341270 -0.0000000 0.1033458), wk = 0.0016694 k( 533) = ( 0.2380952 -0.0000000 0.1033458), wk = 0.0016694 k( 534) = ( 0.2420635 -0.0000000 0.1033458), wk = 0.0016694 k( 535) = ( 0.2460317 -0.0000000 0.1033458), wk = 0.0016694 k( 536) = ( 0.2500000 -0.0000000 0.1033458), wk = 0.0016694 k( 537) = ( 0.2539683 -0.0000000 0.1033458), wk = 0.0016694 k( 538) = ( 0.2579365 -0.0000000 0.1033458), wk = 0.0016694 k( 539) = ( 0.2619048 -0.0000000 0.1033458), wk = 0.0016694 k( 540) = ( 0.2658730 -0.0000000 0.1033458), wk = 0.0016694 k( 541) = ( 0.2698413 -0.0000000 0.1033458), wk = 0.0016694 k( 542) = ( 0.2738095 -0.0000000 0.1033458), wk = 0.0016694 k( 543) = ( 0.2777778 -0.0000000 0.1033458), wk = 0.0016694 k( 544) = ( 0.2817460 -0.0000000 0.1033458), wk = 0.0016694 k( 545) = ( 0.2857143 -0.0000000 0.1033458), wk = 0.0016694 k( 546) = ( 0.2896825 -0.0000000 0.1033458), wk = 0.0016694 k( 547) = ( 0.2936508 -0.0000000 0.1033458), wk = 0.0016694 k( 548) = ( 0.2976190 -0.0000000 0.1033458), wk = 0.0016694 k( 549) = ( 0.3015873 -0.0000000 0.1033458), wk = 0.0016694 k( 550) = ( 0.3055556 -0.0000000 0.1033458), wk = 0.0016694 k( 551) = ( 0.3095238 -0.0000000 0.1033458), wk = 0.0016694 k( 552) = ( 0.3134921 -0.0000000 0.1033458), wk = 0.0016694 k( 553) = ( 0.3174603 -0.0000000 0.1033458), wk = 0.0016694 k( 554) = ( 0.3214286 -0.0000000 0.1033458), wk = 0.0016694 k( 555) = ( 0.3253968 -0.0000000 0.1033458), wk = 0.0016694 k( 556) = ( 0.3293651 -0.0000000 0.1033458), wk = 0.0016694 k( 557) = ( 0.3333333 -0.0000000 0.1033458), wk = 0.0016694 k( 558) = ( 0.3373016 -0.0000000 0.1033458), wk = 0.0016694 k( 559) = ( 0.3412698 -0.0000000 0.1033458), wk = 0.0016694 k( 560) = ( 0.3452381 -0.0000000 0.1033458), wk = 0.0016694 k( 561) = ( 0.3492063 -0.0000000 0.1033458), wk = 0.0016694 k( 562) = ( 0.3531746 -0.0000000 0.1033458), wk = 0.0016694 k( 563) = ( 0.3571429 -0.0000000 0.1033458), wk = 0.0016694 k( 564) = ( 0.3611111 -0.0000000 0.1033458), wk = 0.0016694 k( 565) = ( 0.3650794 -0.0000000 0.1033458), wk = 0.0016694 k( 566) = ( 0.3690476 -0.0000000 0.1033458), wk = 0.0016694 k( 567) = ( 0.3730159 -0.0000000 0.1033458), wk = 0.0016694 k( 568) = ( 0.3769841 -0.0000000 0.1033458), wk = 0.0016694 k( 569) = ( 0.3809524 -0.0000000 0.1033458), wk = 0.0016694 k( 570) = ( 0.3849206 -0.0000000 0.1033458), wk = 0.0016694 k( 571) = ( 0.3888889 -0.0000000 0.1033458), wk = 0.0016694 k( 572) = ( 0.3928571 -0.0000000 0.1033458), wk = 0.0016694 k( 573) = ( 0.3968254 -0.0000000 0.1033458), wk = 0.0016694 k( 574) = ( 0.4007937 -0.0000000 0.1033458), wk = 0.0016694 k( 575) = ( 0.4047619 -0.0000000 0.1033458), wk = 0.0016694 k( 576) = ( 0.4087302 -0.0000000 0.1033458), wk = 0.0016694 k( 577) = ( 0.4126984 -0.0000000 0.1033458), wk = 0.0016694 k( 578) = ( 0.4166667 -0.0000000 0.1033458), wk = 0.0016694 k( 579) = ( 0.4206349 -0.0000000 0.1033458), wk = 0.0016694 k( 580) = ( 0.4246032 -0.0000000 0.1033458), wk = 0.0016694 k( 581) = ( 0.4285714 -0.0000000 0.1033458), wk = 0.0016694 k( 582) = ( 0.4325397 -0.0000000 0.1033458), wk = 0.0016694 k( 583) = ( 0.4365079 -0.0000000 0.1033458), wk = 0.0016694 k( 584) = ( 0.4404762 -0.0000000 0.1033458), wk = 0.0016694 k( 585) = ( 0.4444444 -0.0000000 0.1033458), wk = 0.0016694 k( 586) = ( 0.4484127 -0.0000000 0.1033458), wk = 0.0016694 k( 587) = ( 0.4523810 -0.0000000 0.1033458), wk = 0.0016694 k( 588) = ( 0.4563492 -0.0000000 0.1033458), wk = 0.0016694 k( 589) = ( 0.4603175 -0.0000000 0.1033458), wk = 0.0016694 k( 590) = ( 0.4642857 -0.0000000 0.1033458), wk = 0.0016694 k( 591) = ( 0.4682540 -0.0000000 0.1033458), wk = 0.0016694 k( 592) = ( 0.4722222 -0.0000000 0.1033458), wk = 0.0016694 k( 593) = ( 0.4761905 -0.0000000 0.1033458), wk = 0.0016694 k( 594) = ( 0.4801587 -0.0000000 0.1033458), wk = 0.0016694 k( 595) = ( 0.4841270 -0.0000000 0.1033458), wk = 0.0016694 k( 596) = ( 0.4880952 -0.0000000 0.1033458), wk = 0.0016694 k( 597) = ( 0.4920635 -0.0000000 0.1033458), wk = 0.0016694 k( 598) = ( 0.4960317 -0.0000000 0.1033458), wk = 0.0016694 k( 599) = ( 0.5000000 -0.0000000 0.1033458), wk = 0.0016694 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016694 k( 2) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0016694 k( 3) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0016694 k( 4) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0016694 k( 5) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0016694 k( 6) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0016694 k( 7) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0016694 k( 8) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0016694 k( 9) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0016694 k( 10) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0016694 k( 11) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0016694 k( 12) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0016694 k( 13) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0016694 k( 14) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0016694 k( 15) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0016694 k( 16) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0016694 k( 17) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0016694 k( 18) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0016694 k( 19) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0016694 k( 20) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0016694 k( 21) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0016694 k( 22) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0016694 k( 23) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0016694 k( 24) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0016694 k( 25) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0016694 k( 26) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0016694 k( 27) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0016694 k( 28) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0016694 k( 29) = ( 0.0000000 0.0092800 0.5030953), wk = 0.0016694 k( 30) = ( 0.0000000 0.0185599 0.5061906), wk = 0.0016694 k( 31) = ( 0.0000000 0.0278399 0.5092860), wk = 0.0016694 k( 32) = ( 0.0000000 0.0371198 0.5123813), wk = 0.0016694 k( 33) = ( 0.0000000 0.0463998 0.5154766), wk = 0.0016694 k( 34) = ( 0.0000000 0.0556797 0.5185719), wk = 0.0016694 k( 35) = ( 0.0000000 0.0649597 0.5216672), wk = 0.0016694 k( 36) = ( 0.0000000 0.0742396 0.5247626), wk = 0.0016694 k( 37) = ( 0.0000000 0.0835196 0.5278579), wk = 0.0016694 k( 38) = ( 0.0000000 0.0927995 0.5309532), wk = 0.0016694 k( 39) = ( 0.0000000 0.1020795 0.5340485), wk = 0.0016694 k( 40) = ( 0.0000000 0.1113595 0.5371438), wk = 0.0016694 k( 41) = ( 0.0000000 0.1206394 0.5402392), wk = 0.0016694 k( 42) = ( 0.0000000 0.1299194 0.5433345), wk = 0.0016694 k( 43) = ( 0.0000000 0.1391993 0.5464298), wk = 0.0016694 k( 44) = ( 0.0000000 0.1484793 0.5495251), wk = 0.0016694 k( 45) = ( 0.0000000 0.1577592 0.5526204), wk = 0.0016694 k( 46) = ( 0.0000000 0.1670392 0.5557157), wk = 0.0016694 k( 47) = ( 0.0000000 0.1763191 0.5588111), wk = 0.0016694 k( 48) = ( 0.0000000 0.1855991 0.5619064), wk = 0.0016694 k( 49) = ( 0.0000000 0.1948790 0.5650017), wk = 0.0016694 k( 50) = ( 0.0000000 0.2041590 0.5680970), wk = 0.0016694 k( 51) = ( 0.0000000 0.2134389 0.5711924), wk = 0.0016694 k( 52) = ( 0.0000000 0.2227189 0.5742877), wk = 0.0016694 k( 53) = ( 0.0000000 0.2319989 0.5773830), wk = 0.0016694 k( 54) = ( 0.0000000 0.2412788 0.5804783), wk = 0.0016694 k( 55) = ( 0.0000000 0.2505588 0.5835736), wk = 0.0016694 k( 56) = ( 0.0000000 0.2598387 0.5866689), wk = 0.0016694 k( 57) = ( 0.0000000 0.2691187 0.5897643), wk = 0.0016694 k( 58) = ( 0.0000000 0.2783986 0.5928596), wk = 0.0016694 k( 59) = ( 0.0000000 0.2876786 0.5959549), wk = 0.0016694 k( 60) = ( 0.0000000 0.2969585 0.5990502), wk = 0.0016694 k( 61) = ( 0.0000000 0.3062385 0.6021455), wk = 0.0016694 k( 62) = ( 0.0000000 0.3155184 0.6052409), wk = 0.0016694 k( 63) = ( 0.0000000 0.3247984 0.6083362), wk = 0.0016694 k( 64) = ( 0.0000000 0.3340783 0.6114315), wk = 0.0016694 k( 65) = ( 0.0000000 0.3433583 0.6145268), wk = 0.0016694 k( 66) = ( 0.0000000 0.3526382 0.6176221), wk = 0.0016694 k( 67) = ( 0.0000000 0.3619182 0.6207175), wk = 0.0016694 k( 68) = ( 0.0000000 0.3711982 0.6238128), wk = 0.0016694 k( 69) = ( 0.0000000 0.3804781 0.6269081), wk = 0.0016694 k( 70) = ( 0.0000000 0.3897581 0.6300034), wk = 0.0016694 k( 71) = ( 0.0000000 0.3990380 0.6330987), wk = 0.0016694 k( 72) = ( 0.0000000 0.4083180 0.6361940), wk = 0.0016694 k( 73) = ( 0.0000000 0.4175979 0.6392894), wk = 0.0016694 k( 74) = ( 0.0000000 0.4268779 0.6423847), wk = 0.0016694 k( 75) = ( 0.0000000 0.4361578 0.6454800), wk = 0.0016694 k( 76) = ( 0.0000000 0.4454378 0.6485753), wk = 0.0016694 k( 77) = ( 0.0000000 0.4547177 0.6516707), wk = 0.0016694 k( 78) = ( 0.0000000 0.4639977 0.6547660), wk = 0.0016694 k( 79) = ( 0.0000000 0.4732776 0.6578613), wk = 0.0016694 k( 80) = ( 0.0000000 0.4732776 0.6578613), wk = 0.0016694 k( 81) = ( 0.0000000 0.4759499 0.6420752), wk = 0.0016694 k( 82) = ( 0.0000000 0.4786221 0.6262890), wk = 0.0016694 k( 83) = ( 0.0000000 0.4812944 0.6105029), wk = 0.0016694 k( 84) = ( 0.0000000 0.4839666 0.5947168), wk = 0.0016694 k( 85) = ( 0.0000000 0.4866388 0.5789306), wk = 0.0016694 k( 86) = ( 0.0000000 0.4893111 0.5631445), wk = 0.0016694 k( 87) = ( 0.0000000 0.4919833 0.5473584), wk = 0.0016694 k( 88) = ( 0.0000000 0.4946555 0.5315723), wk = 0.0016694 k( 89) = ( 0.0000000 0.4973278 0.5157861), wk = 0.0016694 k( 90) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0016694 k( 91) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0016694 k( 92) = ( 0.0039683 0.5000000 0.5000000), wk = 0.0016694 k( 93) = ( 0.0079365 0.5000000 0.5000000), wk = 0.0016694 k( 94) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0016694 k( 95) = ( 0.0158730 0.5000000 0.5000000), wk = 0.0016694 k( 96) = ( 0.0198413 0.5000000 0.5000000), wk = 0.0016694 k( 97) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0016694 k( 98) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0016694 k( 99) = ( 0.0317460 0.5000000 0.5000000), wk = 0.0016694 k( 100) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0016694 k( 101) = ( 0.0396825 0.5000000 0.5000000), wk = 0.0016694 k( 102) = ( 0.0436508 0.5000000 0.5000000), wk = 0.0016694 k( 103) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0016694 k( 104) = ( 0.0515873 0.5000000 0.5000000), wk = 0.0016694 k( 105) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0016694 k( 106) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0016694 k( 107) = ( 0.0634921 0.5000000 0.5000000), wk = 0.0016694 k( 108) = ( 0.0674603 0.5000000 0.5000000), wk = 0.0016694 k( 109) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0016694 k( 110) = ( 0.0753968 0.5000000 0.5000000), wk = 0.0016694 k( 111) = ( 0.0793651 0.5000000 0.5000000), wk = 0.0016694 k( 112) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0016694 k( 113) = ( 0.0873016 0.5000000 0.5000000), wk = 0.0016694 k( 114) = ( 0.0912698 0.5000000 0.5000000), wk = 0.0016694 k( 115) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0016694 k( 116) = ( 0.0992063 0.5000000 0.5000000), wk = 0.0016694 k( 117) = ( 0.1031746 0.5000000 0.5000000), wk = 0.0016694 k( 118) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0016694 k( 119) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0016694 k( 120) = ( 0.1150794 0.5000000 0.5000000), wk = 0.0016694 k( 121) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0016694 k( 122) = ( 0.1230159 0.5000000 0.5000000), wk = 0.0016694 k( 123) = ( 0.1269841 0.5000000 0.5000000), wk = 0.0016694 k( 124) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0016694 k( 125) = ( 0.1349206 0.5000000 0.5000000), wk = 0.0016694 k( 126) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0016694 k( 127) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0016694 k( 128) = ( 0.1468254 0.5000000 0.5000000), wk = 0.0016694 k( 129) = ( 0.1507937 0.5000000 0.5000000), wk = 0.0016694 k( 130) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0016694 k( 131) = ( 0.1587302 0.5000000 0.5000000), wk = 0.0016694 k( 132) = ( 0.1626984 0.5000000 0.5000000), wk = 0.0016694 k( 133) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0016694 k( 134) = ( 0.1706349 0.5000000 0.5000000), wk = 0.0016694 k( 135) = ( 0.1746032 0.5000000 0.5000000), wk = 0.0016694 k( 136) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0016694 k( 137) = ( 0.1825397 0.5000000 0.5000000), wk = 0.0016694 k( 138) = ( 0.1865079 0.5000000 0.5000000), wk = 0.0016694 k( 139) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0016694 k( 140) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0016694 k( 141) = ( 0.1984127 0.5000000 0.5000000), wk = 0.0016694 k( 142) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0016694 k( 143) = ( 0.2063492 0.5000000 0.5000000), wk = 0.0016694 k( 144) = ( 0.2103175 0.5000000 0.5000000), wk = 0.0016694 k( 145) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0016694 k( 146) = ( 0.2182540 0.5000000 0.5000000), wk = 0.0016694 k( 147) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0016694 k( 148) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0016694 k( 149) = ( 0.2301587 0.5000000 0.5000000), wk = 0.0016694 k( 150) = ( 0.2341270 0.5000000 0.5000000), wk = 0.0016694 k( 151) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0016694 k( 152) = ( 0.2420635 0.5000000 0.5000000), wk = 0.0016694 k( 153) = ( 0.2460317 0.5000000 0.5000000), wk = 0.0016694 k( 154) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0016694 k( 155) = ( 0.2539683 0.5000000 0.5000000), wk = 0.0016694 k( 156) = ( 0.2579365 0.5000000 0.5000000), wk = 0.0016694 k( 157) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0016694 k( 158) = ( 0.2658730 0.5000000 0.5000000), wk = 0.0016694 k( 159) = ( 0.2698413 0.5000000 0.5000000), wk = 0.0016694 k( 160) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0016694 k( 161) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0016694 k( 162) = ( 0.2817460 0.5000000 0.5000000), wk = 0.0016694 k( 163) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0016694 k( 164) = ( 0.2896825 0.5000000 0.5000000), wk = 0.0016694 k( 165) = ( 0.2936508 0.5000000 0.5000000), wk = 0.0016694 k( 166) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0016694 k( 167) = ( 0.3015873 0.5000000 0.5000000), wk = 0.0016694 k( 168) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0016694 k( 169) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0016694 k( 170) = ( 0.3134921 0.5000000 0.5000000), wk = 0.0016694 k( 171) = ( 0.3174603 0.5000000 0.5000000), wk = 0.0016694 k( 172) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0016694 k( 173) = ( 0.3253968 0.5000000 0.5000000), wk = 0.0016694 k( 174) = ( 0.3293651 0.5000000 0.5000000), wk = 0.0016694 k( 175) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0016694 k( 176) = ( 0.3373016 0.5000000 0.5000000), wk = 0.0016694 k( 177) = ( 0.3412698 0.5000000 0.5000000), wk = 0.0016694 k( 178) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0016694 k( 179) = ( 0.3492063 0.5000000 0.5000000), wk = 0.0016694 k( 180) = ( 0.3531746 0.5000000 0.5000000), wk = 0.0016694 k( 181) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0016694 k( 182) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0016694 k( 183) = ( 0.3650794 0.5000000 0.5000000), wk = 0.0016694 k( 184) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0016694 k( 185) = ( 0.3730159 0.5000000 0.5000000), wk = 0.0016694 k( 186) = ( 0.3769841 0.5000000 0.5000000), wk = 0.0016694 k( 187) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0016694 k( 188) = ( 0.3849206 0.5000000 0.5000000), wk = 0.0016694 k( 189) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0016694 k( 190) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0016694 k( 191) = ( 0.3968254 0.5000000 0.5000000), wk = 0.0016694 k( 192) = ( 0.4007937 0.5000000 0.5000000), wk = 0.0016694 k( 193) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0016694 k( 194) = ( 0.4087302 0.5000000 0.5000000), wk = 0.0016694 k( 195) = ( 0.4126984 0.5000000 0.5000000), wk = 0.0016694 k( 196) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0016694 k( 197) = ( 0.4206349 0.5000000 0.5000000), wk = 0.0016694 k( 198) = ( 0.4246032 0.5000000 0.5000000), wk = 0.0016694 k( 199) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0016694 k( 200) = ( 0.4325397 0.5000000 0.5000000), wk = 0.0016694 k( 201) = ( 0.4365079 0.5000000 0.5000000), wk = 0.0016694 k( 202) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0016694 k( 203) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0016694 k( 204) = ( 0.4484127 0.5000000 0.5000000), wk = 0.0016694 k( 205) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0016694 k( 206) = ( 0.4563492 0.5000000 0.5000000), wk = 0.0016694 k( 207) = ( 0.4603175 0.5000000 0.5000000), wk = 0.0016694 k( 208) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0016694 k( 209) = ( 0.4682540 0.5000000 0.5000000), wk = 0.0016694 k( 210) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0016694 k( 211) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0016694 k( 212) = ( 0.4801587 0.5000000 0.5000000), wk = 0.0016694 k( 213) = ( 0.4841270 0.5000000 0.5000000), wk = 0.0016694 k( 214) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0016694 k( 215) = ( 0.4920635 0.5000000 0.5000000), wk = 0.0016694 k( 216) = ( 0.4960317 0.5000000 0.5000000), wk = 0.0016694 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0016694 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0016694 k( 219) = ( 0.5000000 0.5026722 0.4842139), wk = 0.0016694 k( 220) = ( 0.5000000 0.5053445 0.4684277), wk = 0.0016694 k( 221) = ( 0.5000000 0.5080167 0.4526416), wk = 0.0016694 k( 222) = ( 0.5000000 0.5106889 0.4368555), wk = 0.0016694 k( 223) = ( 0.5000000 0.5133612 0.4210694), wk = 0.0016694 k( 224) = ( 0.5000000 0.5160334 0.4052832), wk = 0.0016694 k( 225) = ( 0.5000000 0.5187056 0.3894971), wk = 0.0016694 k( 226) = ( 0.5000000 0.5213779 0.3737110), wk = 0.0016694 k( 227) = ( 0.5000000 0.5240501 0.3579248), wk = 0.0016694 k( 228) = ( 0.5000000 0.5267224 0.3421387), wk = 0.0016694 k( 229) = ( 0.5000000 0.5267224 0.3421387), wk = 0.0016694 k( 230) = ( 0.5000000 0.5252378 0.3231310), wk = 0.0016694 k( 231) = ( 0.5000000 0.5237532 0.3041233), wk = 0.0016694 k( 232) = ( 0.5000000 0.5222686 0.2851156), wk = 0.0016694 k( 233) = ( 0.5000000 0.5207841 0.2661079), wk = 0.0016694 k( 234) = ( 0.5000000 0.5192995 0.2471002), wk = 0.0016694 k( 235) = ( 0.5000000 0.5178149 0.2280925), wk = 0.0016694 k( 236) = ( 0.5000000 0.5163303 0.2090848), wk = 0.0016694 k( 237) = ( 0.5000000 0.5148457 0.1900771), wk = 0.0016694 k( 238) = ( 0.5000000 0.5133612 0.1710694), wk = 0.0016694 k( 239) = ( 0.5000000 0.5118766 0.1520617), wk = 0.0016694 k( 240) = ( 0.5000000 0.5103920 0.1330539), wk = 0.0016694 k( 241) = ( 0.5000000 0.5089075 0.1140462), wk = 0.0016694 k( 242) = ( 0.5000000 0.5074229 0.0950385), wk = 0.0016694 k( 243) = ( 0.5000000 0.5059383 0.0760308), wk = 0.0016694 k( 244) = ( 0.5000000 0.5044537 0.0570231), wk = 0.0016694 k( 245) = ( 0.5000000 0.5029691 0.0380154), wk = 0.0016694 k( 246) = ( 0.5000000 0.5014846 0.0190077), wk = 0.0016694 k( 247) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0016694 k( 248) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0016694 k( 249) = ( 0.4960317 0.5000000 0.0000000), wk = 0.0016694 k( 250) = ( 0.4920635 0.5000000 0.0000000), wk = 0.0016694 k( 251) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0016694 k( 252) = ( 0.4841270 0.5000000 0.0000000), wk = 0.0016694 k( 253) = ( 0.4801587 0.5000000 -0.0000000), wk = 0.0016694 k( 254) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0016694 k( 255) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0016694 k( 256) = ( 0.4682540 0.5000000 -0.0000000), wk = 0.0016694 k( 257) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0016694 k( 258) = ( 0.4603175 0.5000000 -0.0000000), wk = 0.0016694 k( 259) = ( 0.4563492 0.5000000 -0.0000000), wk = 0.0016694 k( 260) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0016694 k( 261) = ( 0.4484127 0.5000000 0.0000000), wk = 0.0016694 k( 262) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0016694 k( 263) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0016694 k( 264) = ( 0.4365079 0.5000000 0.0000000), wk = 0.0016694 k( 265) = ( 0.4325397 0.5000000 0.0000000), wk = 0.0016694 k( 266) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0016694 k( 267) = ( 0.4246032 0.5000000 -0.0000000), wk = 0.0016694 k( 268) = ( 0.4206349 0.5000000 -0.0000000), wk = 0.0016694 k( 269) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0016694 k( 270) = ( 0.4126984 0.5000000 0.0000000), wk = 0.0016694 k( 271) = ( 0.4087302 0.5000000 0.0000000), wk = 0.0016694 k( 272) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0016694 k( 273) = ( 0.4007937 0.5000000 0.0000000), wk = 0.0016694 k( 274) = ( 0.3968254 0.5000000 0.0000000), wk = 0.0016694 k( 275) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0016694 k( 276) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0016694 k( 277) = ( 0.3849206 0.5000000 0.0000000), wk = 0.0016694 k( 278) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0016694 k( 279) = ( 0.3769841 0.5000000 0.0000000), wk = 0.0016694 k( 280) = ( 0.3730159 0.5000000 0.0000000), wk = 0.0016694 k( 281) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0016694 k( 282) = ( 0.3650794 0.5000000 0.0000000), wk = 0.0016694 k( 283) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0016694 k( 284) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0016694 k( 285) = ( 0.3531746 0.5000000 0.0000000), wk = 0.0016694 k( 286) = ( 0.3492063 0.5000000 0.0000000), wk = 0.0016694 k( 287) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0016694 k( 288) = ( 0.3412698 0.5000000 0.0000000), wk = 0.0016694 k( 289) = ( 0.3373016 0.5000000 0.0000000), wk = 0.0016694 k( 290) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0016694 k( 291) = ( 0.3293651 0.5000000 0.0000000), wk = 0.0016694 k( 292) = ( 0.3253968 0.5000000 0.0000000), wk = 0.0016694 k( 293) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0016694 k( 294) = ( 0.3174603 0.5000000 0.0000000), wk = 0.0016694 k( 295) = ( 0.3134921 0.5000000 0.0000000), wk = 0.0016694 k( 296) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0016694 k( 297) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0016694 k( 298) = ( 0.3015873 0.5000000 -0.0000000), wk = 0.0016694 k( 299) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0016694 k( 300) = ( 0.2936508 0.5000000 -0.0000000), wk = 0.0016694 k( 301) = ( 0.2896825 0.5000000 -0.0000000), wk = 0.0016694 k( 302) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0016694 k( 303) = ( 0.2817460 0.5000000 0.0000000), wk = 0.0016694 k( 304) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0016694 k( 305) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0016694 k( 306) = ( 0.2698413 0.5000000 0.0000000), wk = 0.0016694 k( 307) = ( 0.2658730 0.5000000 0.0000000), wk = 0.0016694 k( 308) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0016694 k( 309) = ( 0.2579365 0.5000000 0.0000000), wk = 0.0016694 k( 310) = ( 0.2539683 0.5000000 -0.0000000), wk = 0.0016694 k( 311) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0016694 k( 312) = ( 0.2460317 0.5000000 -0.0000000), wk = 0.0016694 k( 313) = ( 0.2420635 0.5000000 -0.0000000), wk = 0.0016694 k( 314) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0016694 k( 315) = ( 0.2341270 0.5000000 -0.0000000), wk = 0.0016694 k( 316) = ( 0.2301587 0.5000000 -0.0000000), wk = 0.0016694 k( 317) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0016694 k( 318) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0016694 k( 319) = ( 0.2182540 0.5000000 -0.0000000), wk = 0.0016694 k( 320) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0016694 k( 321) = ( 0.2103175 0.5000000 -0.0000000), wk = 0.0016694 k( 322) = ( 0.2063492 0.5000000 -0.0000000), wk = 0.0016694 k( 323) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0016694 k( 324) = ( 0.1984127 0.5000000 0.0000000), wk = 0.0016694 k( 325) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0016694 k( 326) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0016694 k( 327) = ( 0.1865079 0.5000000 0.0000000), wk = 0.0016694 k( 328) = ( 0.1825397 0.5000000 0.0000000), wk = 0.0016694 k( 329) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0016694 k( 330) = ( 0.1746032 0.5000000 0.0000000), wk = 0.0016694 k( 331) = ( 0.1706349 0.5000000 0.0000000), wk = 0.0016694 k( 332) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0016694 k( 333) = ( 0.1626984 0.5000000 0.0000000), wk = 0.0016694 k( 334) = ( 0.1587302 0.5000000 0.0000000), wk = 0.0016694 k( 335) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0016694 k( 336) = ( 0.1507937 0.5000000 0.0000000), wk = 0.0016694 k( 337) = ( 0.1468254 0.5000000 0.0000000), wk = 0.0016694 k( 338) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0016694 k( 339) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0016694 k( 340) = ( 0.1349206 0.5000000 0.0000000), wk = 0.0016694 k( 341) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0016694 k( 342) = ( 0.1269841 0.5000000 0.0000000), wk = 0.0016694 k( 343) = ( 0.1230159 0.5000000 0.0000000), wk = 0.0016694 k( 344) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0016694 k( 345) = ( 0.1150794 0.5000000 0.0000000), wk = 0.0016694 k( 346) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0016694 k( 347) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0016694 k( 348) = ( 0.1031746 0.5000000 0.0000000), wk = 0.0016694 k( 349) = ( 0.0992063 0.5000000 0.0000000), wk = 0.0016694 k( 350) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0016694 k( 351) = ( 0.0912698 0.5000000 0.0000000), wk = 0.0016694 k( 352) = ( 0.0873016 0.5000000 0.0000000), wk = 0.0016694 k( 353) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0016694 k( 354) = ( 0.0793651 0.5000000 0.0000000), wk = 0.0016694 k( 355) = ( 0.0753968 0.5000000 0.0000000), wk = 0.0016694 k( 356) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0016694 k( 357) = ( 0.0674603 0.5000000 0.0000000), wk = 0.0016694 k( 358) = ( 0.0634921 0.5000000 0.0000000), wk = 0.0016694 k( 359) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0016694 k( 360) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0016694 k( 361) = ( 0.0515873 0.5000000 0.0000000), wk = 0.0016694 k( 362) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0016694 k( 363) = ( 0.0436508 0.5000000 0.0000000), wk = 0.0016694 k( 364) = ( 0.0396825 0.5000000 0.0000000), wk = 0.0016694 k( 365) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0016694 k( 366) = ( 0.0317460 0.5000000 0.0000000), wk = 0.0016694 k( 367) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0016694 k( 368) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0016694 k( 369) = ( 0.0198413 0.5000000 0.0000000), wk = 0.0016694 k( 370) = ( 0.0158730 0.5000000 0.0000000), wk = 0.0016694 k( 371) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0016694 k( 372) = ( 0.0079365 0.5000000 0.0000000), wk = 0.0016694 k( 373) = ( 0.0039683 0.5000000 0.0000000), wk = 0.0016694 k( 374) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0016694 k( 375) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0016694 k( 376) = ( 0.0000000 0.5014846 0.0190077), wk = 0.0016694 k( 377) = ( 0.0000000 0.5029691 0.0380154), wk = 0.0016694 k( 378) = ( 0.0000000 0.5044537 0.0570231), wk = 0.0016694 k( 379) = ( 0.0000000 0.5059383 0.0760308), wk = 0.0016694 k( 380) = ( 0.0000000 0.5074229 0.0950385), wk = 0.0016694 k( 381) = ( 0.0000000 0.5089075 0.1140462), wk = 0.0016694 k( 382) = ( 0.0000000 0.5103920 0.1330539), wk = 0.0016694 k( 383) = ( 0.0000000 0.5118766 0.1520617), wk = 0.0016694 k( 384) = ( 0.0000000 0.5133612 0.1710694), wk = 0.0016694 k( 385) = ( 0.0000000 0.5148457 0.1900771), wk = 0.0016694 k( 386) = ( 0.0000000 0.5163303 0.2090848), wk = 0.0016694 k( 387) = ( 0.0000000 0.5178149 0.2280925), wk = 0.0016694 k( 388) = ( 0.0000000 0.5192995 0.2471002), wk = 0.0016694 k( 389) = ( 0.0000000 0.5207841 0.2661079), wk = 0.0016694 k( 390) = ( 0.0000000 0.5222686 0.2851156), wk = 0.0016694 k( 391) = ( 0.0000000 0.5237532 0.3041233), wk = 0.0016694 k( 392) = ( 0.0000000 0.5252378 0.3231310), wk = 0.0016694 k( 393) = ( 0.0000000 0.5267224 0.3421387), wk = 0.0016694 k( 394) = ( 0.5000000 0.4732776 0.6578613), wk = 0.0016694 k( 395) = ( 0.5000000 0.4639977 0.6547660), wk = 0.0016694 k( 396) = ( 0.5000000 0.4547177 0.6516707), wk = 0.0016694 k( 397) = ( 0.5000000 0.4454378 0.6485753), wk = 0.0016694 k( 398) = ( 0.5000000 0.4361578 0.6454800), wk = 0.0016694 k( 399) = ( 0.5000000 0.4268779 0.6423847), wk = 0.0016694 k( 400) = ( 0.5000000 0.4175979 0.6392894), wk = 0.0016694 k( 401) = ( 0.5000000 0.4083180 0.6361940), wk = 0.0016694 k( 402) = ( 0.5000000 0.3990380 0.6330987), wk = 0.0016694 k( 403) = ( 0.5000000 0.3897581 0.6300034), wk = 0.0016694 k( 404) = ( 0.5000000 0.3804781 0.6269081), wk = 0.0016694 k( 405) = ( 0.5000000 0.3711982 0.6238128), wk = 0.0016694 k( 406) = ( 0.5000000 0.3619182 0.6207175), wk = 0.0016694 k( 407) = ( 0.5000000 0.3526382 0.6176221), wk = 0.0016694 k( 408) = ( 0.5000000 0.3433583 0.6145268), wk = 0.0016694 k( 409) = ( 0.5000000 0.3340783 0.6114315), wk = 0.0016694 k( 410) = ( 0.5000000 0.3247984 0.6083362), wk = 0.0016694 k( 411) = ( 0.5000000 0.3155184 0.6052409), wk = 0.0016694 k( 412) = ( 0.5000000 0.3062385 0.6021455), wk = 0.0016694 k( 413) = ( 0.5000000 0.2969585 0.5990502), wk = 0.0016694 k( 414) = ( 0.5000000 0.2876786 0.5959549), wk = 0.0016694 k( 415) = ( 0.5000000 0.2783986 0.5928596), wk = 0.0016694 k( 416) = ( 0.5000000 0.2691187 0.5897643), wk = 0.0016694 k( 417) = ( 0.5000000 0.2598387 0.5866689), wk = 0.0016694 k( 418) = ( 0.5000000 0.2505588 0.5835736), wk = 0.0016694 k( 419) = ( 0.5000000 0.2412788 0.5804783), wk = 0.0016694 k( 420) = ( 0.5000000 0.2319989 0.5773830), wk = 0.0016694 k( 421) = ( 0.5000000 0.2227189 0.5742877), wk = 0.0016694 k( 422) = ( 0.5000000 0.2134389 0.5711924), wk = 0.0016694 k( 423) = ( 0.5000000 0.2041590 0.5680970), wk = 0.0016694 k( 424) = ( 0.5000000 0.1948790 0.5650017), wk = 0.0016694 k( 425) = ( 0.5000000 0.1855991 0.5619064), wk = 0.0016694 k( 426) = ( 0.5000000 0.1763191 0.5588111), wk = 0.0016694 k( 427) = ( 0.5000000 0.1670392 0.5557157), wk = 0.0016694 k( 428) = ( 0.5000000 0.1577592 0.5526204), wk = 0.0016694 k( 429) = ( 0.5000000 0.1484793 0.5495251), wk = 0.0016694 k( 430) = ( 0.5000000 0.1391993 0.5464298), wk = 0.0016694 k( 431) = ( 0.5000000 0.1299194 0.5433345), wk = 0.0016694 k( 432) = ( 0.5000000 0.1206394 0.5402392), wk = 0.0016694 k( 433) = ( 0.5000000 0.1113595 0.5371438), wk = 0.0016694 k( 434) = ( 0.5000000 0.1020795 0.5340485), wk = 0.0016694 k( 435) = ( 0.5000000 0.0927995 0.5309532), wk = 0.0016694 k( 436) = ( 0.5000000 0.0835196 0.5278579), wk = 0.0016694 k( 437) = ( 0.5000000 0.0742396 0.5247626), wk = 0.0016694 k( 438) = ( 0.5000000 0.0649597 0.5216672), wk = 0.0016694 k( 439) = ( 0.5000000 0.0556797 0.5185719), wk = 0.0016694 k( 440) = ( 0.5000000 0.0463998 0.5154766), wk = 0.0016694 k( 441) = ( 0.5000000 0.0371198 0.5123813), wk = 0.0016694 k( 442) = ( 0.5000000 0.0278399 0.5092860), wk = 0.0016694 k( 443) = ( 0.5000000 0.0185599 0.5061906), wk = 0.0016694 k( 444) = ( 0.5000000 0.0092799 0.5030953), wk = 0.0016694 k( 445) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0016694 k( 446) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0016694 k( 447) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0016694 k( 448) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0016694 k( 449) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0016694 k( 450) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0016694 k( 451) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0016694 k( 452) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0016694 k( 453) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0016694 k( 454) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0016694 k( 455) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0016694 k( 456) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0016694 k( 457) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0016694 k( 458) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0016694 k( 459) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0016694 k( 460) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0016694 k( 461) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0016694 k( 462) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0016694 k( 463) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0016694 k( 464) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0016694 k( 465) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0016694 k( 466) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0016694 k( 467) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0016694 k( 468) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0016694 k( 469) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0016694 k( 470) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0016694 k( 471) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0016694 k( 472) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0016694 k( 473) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0016694 k( 474) = ( 0.0039683 -0.0000000 0.5000000), wk = 0.0016694 k( 475) = ( 0.0079365 -0.0000000 0.5000000), wk = 0.0016694 k( 476) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0016694 k( 477) = ( 0.0158730 -0.0000000 0.5000000), wk = 0.0016694 k( 478) = ( 0.0198413 0.0000000 0.5000000), wk = 0.0016694 k( 479) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0016694 k( 480) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0016694 k( 481) = ( 0.0317460 0.0000000 0.5000000), wk = 0.0016694 k( 482) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0016694 k( 483) = ( 0.0396825 0.0000000 0.5000000), wk = 0.0016694 k( 484) = ( 0.0436508 -0.0000000 0.5000000), wk = 0.0016694 k( 485) = ( 0.0476191 -0.0000000 0.5000000), wk = 0.0016694 k( 486) = ( 0.0515873 -0.0000000 0.5000000), wk = 0.0016694 k( 487) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0016694 k( 488) = ( 0.0595238 -0.0000000 0.5000000), wk = 0.0016694 k( 489) = ( 0.0634921 0.0000000 0.5000000), wk = 0.0016694 k( 490) = ( 0.0674603 0.0000000 0.5000000), wk = 0.0016694 k( 491) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0016694 k( 492) = ( 0.0753968 -0.0000000 0.5000000), wk = 0.0016694 k( 493) = ( 0.0793651 0.0000000 0.5000000), wk = 0.0016694 k( 494) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0016694 k( 495) = ( 0.0873016 -0.0000000 0.5000000), wk = 0.0016694 k( 496) = ( 0.0912698 -0.0000000 0.5000000), wk = 0.0016694 k( 497) = ( 0.0952381 -0.0000000 0.5000000), wk = 0.0016694 k( 498) = ( 0.0992063 -0.0000000 0.5000000), wk = 0.0016694 k( 499) = ( 0.1031746 -0.0000000 0.5000000), wk = 0.0016694 k( 500) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0016694 k( 501) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0016694 k( 502) = ( 0.1150794 0.0000000 0.5000000), wk = 0.0016694 k( 503) = ( 0.1190476 -0.0000000 0.5000000), wk = 0.0016694 k( 504) = ( 0.1230159 0.0000000 0.5000000), wk = 0.0016694 k( 505) = ( 0.1269841 -0.0000000 0.5000000), wk = 0.0016694 k( 506) = ( 0.1309524 -0.0000000 0.5000000), wk = 0.0016694 k( 507) = ( 0.1349206 -0.0000000 0.5000000), wk = 0.0016694 k( 508) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0016694 k( 509) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0016694 k( 510) = ( 0.1468254 0.0000000 0.5000000), wk = 0.0016694 k( 511) = ( 0.1507937 0.0000000 0.5000000), wk = 0.0016694 k( 512) = ( 0.1547619 -0.0000000 0.5000000), wk = 0.0016694 k( 513) = ( 0.1587302 0.0000000 0.5000000), wk = 0.0016694 k( 514) = ( 0.1626984 0.0000000 0.5000000), wk = 0.0016694 k( 515) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0016694 k( 516) = ( 0.1706349 -0.0000000 0.5000000), wk = 0.0016694 k( 517) = ( 0.1746032 0.0000000 0.5000000), wk = 0.0016694 k( 518) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0016694 k( 519) = ( 0.1825397 -0.0000000 0.5000000), wk = 0.0016694 k( 520) = ( 0.1865079 0.0000000 0.5000000), wk = 0.0016694 k( 521) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0016694 k( 522) = ( 0.1944444 0.0000000 0.5000000), wk = 0.0016694 k( 523) = ( 0.1984127 -0.0000000 0.5000000), wk = 0.0016694 k( 524) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0016694 k( 525) = ( 0.2063492 0.0000000 0.5000000), wk = 0.0016694 k( 526) = ( 0.2103175 -0.0000000 0.5000000), wk = 0.0016694 k( 527) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0016694 k( 528) = ( 0.2182540 0.0000000 0.5000000), wk = 0.0016694 k( 529) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0016694 k( 530) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0016694 k( 531) = ( 0.2301587 0.0000000 0.5000000), wk = 0.0016694 k( 532) = ( 0.2341270 0.0000000 0.5000000), wk = 0.0016694 k( 533) = ( 0.2380952 -0.0000000 0.5000000), wk = 0.0016694 k( 534) = ( 0.2420635 -0.0000000 0.5000000), wk = 0.0016694 k( 535) = ( 0.2460317 -0.0000000 0.5000000), wk = 0.0016694 k( 536) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0016694 k( 537) = ( 0.2539683 0.0000000 0.5000000), wk = 0.0016694 k( 538) = ( 0.2579365 0.0000000 0.5000000), wk = 0.0016694 k( 539) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0016694 k( 540) = ( 0.2658730 -0.0000000 0.5000000), wk = 0.0016694 k( 541) = ( 0.2698413 -0.0000000 0.5000000), wk = 0.0016694 k( 542) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0016694 k( 543) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0016694 k( 544) = ( 0.2817460 0.0000000 0.5000000), wk = 0.0016694 k( 545) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0016694 k( 546) = ( 0.2896825 -0.0000000 0.5000000), wk = 0.0016694 k( 547) = ( 0.2936508 0.0000000 0.5000000), wk = 0.0016694 k( 548) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0016694 k( 549) = ( 0.3015873 0.0000000 0.5000000), wk = 0.0016694 k( 550) = ( 0.3055556 0.0000000 0.5000000), wk = 0.0016694 k( 551) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0016694 k( 552) = ( 0.3134921 0.0000000 0.5000000), wk = 0.0016694 k( 553) = ( 0.3174603 0.0000000 0.5000000), wk = 0.0016694 k( 554) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0016694 k( 555) = ( 0.3253968 0.0000000 0.5000000), wk = 0.0016694 k( 556) = ( 0.3293651 -0.0000000 0.5000000), wk = 0.0016694 k( 557) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0016694 k( 558) = ( 0.3373016 -0.0000000 0.5000000), wk = 0.0016694 k( 559) = ( 0.3412698 -0.0000000 0.5000000), wk = 0.0016694 k( 560) = ( 0.3452381 0.0000000 0.5000000), wk = 0.0016694 k( 561) = ( 0.3492063 -0.0000000 0.5000000), wk = 0.0016694 k( 562) = ( 0.3531746 0.0000000 0.5000000), wk = 0.0016694 k( 563) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0016694 k( 564) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0016694 k( 565) = ( 0.3650794 0.0000000 0.5000000), wk = 0.0016694 k( 566) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0016694 k( 567) = ( 0.3730159 0.0000000 0.5000000), wk = 0.0016694 k( 568) = ( 0.3769841 -0.0000000 0.5000000), wk = 0.0016694 k( 569) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0016694 k( 570) = ( 0.3849206 0.0000000 0.5000000), wk = 0.0016694 k( 571) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0016694 k( 572) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0016694 k( 573) = ( 0.3968254 -0.0000000 0.5000000), wk = 0.0016694 k( 574) = ( 0.4007937 -0.0000000 0.5000000), wk = 0.0016694 k( 575) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0016694 k( 576) = ( 0.4087302 -0.0000000 0.5000000), wk = 0.0016694 k( 577) = ( 0.4126984 0.0000000 0.5000000), wk = 0.0016694 k( 578) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0016694 k( 579) = ( 0.4206349 -0.0000000 0.5000000), wk = 0.0016694 k( 580) = ( 0.4246032 -0.0000000 0.5000000), wk = 0.0016694 k( 581) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0016694 k( 582) = ( 0.4325397 -0.0000000 0.5000000), wk = 0.0016694 k( 583) = ( 0.4365079 0.0000000 0.5000000), wk = 0.0016694 k( 584) = ( 0.4404762 0.0000000 0.5000000), wk = 0.0016694 k( 585) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0016694 k( 586) = ( 0.4484127 0.0000000 0.5000000), wk = 0.0016694 k( 587) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0016694 k( 588) = ( 0.4563492 0.0000000 0.5000000), wk = 0.0016694 k( 589) = ( 0.4603175 0.0000000 0.5000000), wk = 0.0016694 k( 590) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0016694 k( 591) = ( 0.4682540 -0.0000000 0.5000000), wk = 0.0016694 k( 592) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0016694 k( 593) = ( 0.4761905 -0.0000000 0.5000000), wk = 0.0016694 k( 594) = ( 0.4801587 0.0000000 0.5000000), wk = 0.0016694 k( 595) = ( 0.4841270 -0.0000000 0.5000000), wk = 0.0016694 k( 596) = ( 0.4880952 -0.0000000 0.5000000), wk = 0.0016694 k( 597) = ( 0.4920635 -0.0000000 0.5000000), wk = 0.0016694 k( 598) = ( 0.4960317 -0.0000000 0.5000000), wk = 0.0016694 k( 599) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0016694 Dense grid: 14855 G-vectors FFT dimensions: ( 15, 36, 72) Smooth grid: 6533 G-vectors FFT dimensions: ( 12, 25, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 50, 14) NL pseudopotentials 0.01 Mb ( 25, 14) Each V/rho on FFT grid 0.02 Mb ( 1080) Each G-vector array 0.00 Mb ( 417) G-vector shells 0.00 Mb ( 313) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 50, 56) Each subspace H/S matrix 0.00 Mb ( 14, 14) Each matrix 0.01 Mb ( 14, 2, 14) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./O2.save/charge-density.dat negative rho (up, down): 1.457E-05 0.000E+00 Starting wfc are 8 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.1 secs Computing kpt #: 2 total cpu time spent up to now is 1.2 secs Computing kpt #: 3 total cpu time spent up to now is 1.2 secs Computing kpt #: 4 total cpu time spent up to now is 1.3 secs Computing kpt #: 5 total cpu time spent up to now is 1.3 secs Computing kpt #: 6 total cpu time spent up to now is 1.4 secs Computing kpt #: 7 total cpu time spent up to now is 1.4 secs Computing kpt #: 8 total cpu time spent up to now is 1.5 secs Computing kpt #: 9 total cpu time spent up to now is 1.5 secs Computing kpt #: 10 total cpu time spent up to now is 1.6 secs Computing kpt #: 11 total cpu time spent up to now is 1.6 secs Computing kpt #: 12 total cpu time spent up to now is 1.7 secs Computing kpt #: 13 total cpu time spent up to now is 1.7 secs Computing kpt #: 14 total cpu time spent up to now is 1.8 secs Computing kpt #: 15 total cpu time spent up to now is 1.8 secs Computing kpt #: 16 total cpu time spent up to now is 1.9 secs Computing kpt #: 17 total cpu time spent up to now is 1.9 secs Computing kpt #: 18 total cpu time spent up to now is 2.0 secs Computing kpt #: 19 total cpu time spent up to now is 2.0 secs Computing kpt #: 20 total cpu time spent up to now is 2.1 secs Computing kpt #: 21 total cpu time spent up to now is 2.1 secs Computing kpt #: 22 total cpu time spent up to now is 2.2 secs Computing kpt #: 23 total cpu time spent up to now is 2.2 secs Computing kpt #: 24 total cpu time spent up to now is 2.3 secs Computing kpt #: 25 total cpu time spent up to now is 2.3 secs Computing kpt #: 26 total cpu time spent up to now is 2.3 secs Computing kpt #: 27 total cpu time spent up to now is 2.4 secs Computing kpt #: 28 total cpu time spent up to now is 2.4 secs Computing kpt #: 29 total cpu time spent up to now is 2.5 secs Computing kpt #: 30 total cpu time spent up to now is 2.5 secs Computing kpt #: 31 total cpu time spent up to now is 2.6 secs Computing kpt #: 32 total cpu time spent up to now is 2.6 secs Computing kpt #: 33 total cpu time spent up to now is 2.7 secs Computing kpt #: 34 total cpu time spent up to now is 2.7 secs Computing kpt #: 35 total cpu time spent up to now is 2.8 secs Computing kpt #: 36 total cpu time spent up to now is 2.8 secs Computing kpt #: 37 total cpu time spent up to now is 2.9 secs Computing kpt #: 38 total cpu time spent up to now is 2.9 secs Computing kpt #: 39 total cpu time spent up to now is 3.0 secs Computing kpt #: 40 total cpu time spent up to now is 3.0 secs Computing kpt #: 41 total cpu time spent up to now is 3.1 secs Computing kpt #: 42 total cpu time spent up to now is 3.2 secs Computing kpt #: 43 total cpu time spent up to now is 3.2 secs Computing kpt #: 44 total cpu time spent up to now is 3.3 secs Computing kpt #: 45 total cpu time spent up to now is 3.3 secs Computing kpt #: 46 total cpu time spent up to now is 3.4 secs Computing kpt #: 47 total cpu time spent up to now is 3.4 secs Computing kpt #: 48 total cpu time spent up to now is 3.5 secs Computing kpt #: 49 total cpu time spent up to now is 3.6 secs Computing kpt #: 50 total cpu time spent up to now is 3.6 secs Computing kpt #: 51 total cpu time spent up to now is 3.7 secs Computing kpt #: 52 total cpu time spent up to now is 3.7 secs Computing kpt #: 53 total cpu time spent up to now is 3.8 secs Computing kpt #: 54 total cpu time spent up to now is 3.9 secs Computing kpt #: 55 total cpu time spent up to now is 3.9 secs Computing kpt #: 56 total cpu time spent up to now is 4.0 secs Computing kpt #: 57 total cpu time spent up to now is 4.0 secs Computing kpt #: 58 total cpu time spent up to now is 4.1 secs Computing kpt #: 59 total cpu time spent up to now is 4.2 secs Computing kpt #: 60 total cpu time spent up to now is 4.2 secs Computing kpt #: 61 total cpu time spent up to now is 4.3 secs Computing kpt #: 62 total cpu time spent up to now is 4.4 secs Computing kpt #: 63 total cpu time spent up to now is 4.4 secs Computing kpt #: 64 total cpu time spent up to now is 4.5 secs Computing kpt #: 65 total cpu time spent up to now is 4.5 secs Computing kpt #: 66 total cpu time spent up to now is 4.6 secs Computing kpt #: 67 total cpu time spent up to now is 4.7 secs Computing kpt #: 68 total cpu time spent up to now is 4.7 secs Computing kpt #: 69 total cpu time spent up to now is 4.8 secs Computing kpt #: 70 total cpu time spent up to now is 4.8 secs Computing kpt #: 71 total cpu time spent up to now is 4.9 secs Computing kpt #: 72 total cpu time spent up to now is 4.9 secs Computing kpt #: 73 total cpu time spent up to now is 5.0 secs Computing kpt #: 74 total cpu time spent up to now is 5.0 secs Computing kpt #: 75 total cpu time spent up to now is 5.1 secs Computing kpt #: 76 total cpu time spent up to now is 5.1 secs Computing kpt #: 77 total cpu time spent up to now is 5.2 secs Computing kpt #: 78 total cpu time spent up to now is 5.2 secs Computing kpt #: 79 total cpu time spent up to now is 5.2 secs Computing kpt #: 80 total cpu time spent up to now is 5.3 secs Computing kpt #: 81 total cpu time spent up to now is 5.3 secs Computing kpt #: 82 total cpu time spent up to now is 5.4 secs Computing kpt #: 83 total cpu time spent up to now is 5.4 secs Computing kpt #: 84 total cpu time spent up to now is 5.5 secs Computing kpt #: 85 total cpu time spent up to now is 5.5 secs Computing kpt #: 86 total cpu time spent up to now is 5.6 secs Computing kpt #: 87 total cpu time spent up to now is 5.6 secs Computing kpt #: 88 total cpu time spent up to now is 5.7 secs Computing kpt #: 89 total cpu time spent up to now is 5.7 secs Computing kpt #: 90 total cpu time spent up to now is 5.7 secs Computing kpt #: 91 total cpu time spent up to now is 5.8 secs Computing kpt #: 92 total cpu time spent up to now is 5.8 secs Computing kpt #: 93 total cpu time spent up to now is 5.9 secs Computing kpt #: 94 total cpu time spent up to now is 5.9 secs Computing kpt #: 95 total cpu time spent up to now is 6.0 secs Computing kpt #: 96 total cpu time spent up to now is 6.0 secs Computing kpt #: 97 total cpu time spent up to now is 6.1 secs Computing kpt #: 98 total cpu time spent up to now is 6.1 secs Computing kpt #: 99 total cpu time spent up to now is 6.2 secs Computing kpt #: 100 total cpu time spent up to now is 6.2 secs Computing kpt #: 101 total cpu time spent up to now is 6.2 secs Computing kpt #: 102 total cpu time spent up to now is 6.3 secs Computing kpt #: 103 total cpu time spent up to now is 6.3 secs Computing kpt #: 104 total cpu time spent up to now is 6.4 secs Computing kpt #: 105 total cpu time spent up to now is 6.4 secs Computing kpt #: 106 total cpu time spent up to now is 6.5 secs Computing kpt #: 107 total cpu time spent up to now is 6.5 secs Computing kpt #: 108 total cpu time spent up to now is 6.6 secs Computing kpt #: 109 total cpu time spent up to now is 6.6 secs Computing kpt #: 110 total cpu time spent up to now is 6.7 secs Computing kpt #: 111 total cpu time spent up to now is 6.7 secs Computing kpt #: 112 total cpu time spent up to now is 6.7 secs Computing kpt #: 113 total cpu time spent up to now is 6.8 secs Computing kpt #: 114 total cpu time spent up to now is 6.8 secs Computing kpt #: 115 total cpu time spent up to now is 6.9 secs Computing kpt #: 116 total cpu time spent up to now is 6.9 secs Computing kpt #: 117 total cpu time spent up to now is 7.0 secs Computing kpt #: 118 total cpu time spent up to now is 7.0 secs Computing kpt #: 119 total cpu time spent up to now is 7.1 secs Computing kpt #: 120 total cpu time spent up to now is 7.1 secs Computing kpt #: 121 total cpu time spent up to now is 7.2 secs Computing kpt #: 122 total cpu time spent up to now is 7.2 secs Computing kpt #: 123 total cpu time spent up to now is 7.3 secs Computing kpt #: 124 total cpu time spent up to now is 7.3 secs Computing kpt #: 125 total cpu time spent up to now is 7.4 secs Computing kpt #: 126 total cpu time spent up to now is 7.4 secs Computing kpt #: 127 total cpu time spent up to now is 7.5 secs Computing kpt #: 128 total cpu time spent up to now is 7.5 secs Computing kpt #: 129 total cpu time spent up to now is 7.6 secs Computing kpt #: 130 total cpu time spent up to now is 7.6 secs Computing kpt #: 131 total cpu time spent up to now is 7.7 secs Computing kpt #: 132 total cpu time spent up to now is 7.7 secs Computing kpt #: 133 total cpu time spent up to now is 7.9 secs Computing kpt #: 134 total cpu time spent up to now is 8.0 secs Computing kpt #: 135 total cpu time spent up to now is 8.0 secs Computing kpt #: 136 total cpu time spent up to now is 8.1 secs Computing kpt #: 137 total cpu time spent up to now is 8.2 secs Computing kpt #: 138 total cpu time spent up to now is 8.2 secs Computing kpt #: 139 total cpu time spent up to now is 8.3 secs Computing kpt #: 140 total cpu time spent up to now is 8.4 secs Computing kpt #: 141 total cpu time spent up to now is 8.4 secs Computing kpt #: 142 total cpu time spent up to now is 8.5 secs Computing kpt #: 143 total cpu time spent up to now is 8.6 secs Computing kpt #: 144 total cpu time spent up to now is 8.6 secs Computing kpt #: 145 total cpu time spent up to now is 8.7 secs Computing kpt #: 146 total cpu time spent up to now is 8.8 secs Computing kpt #: 147 total cpu time spent up to now is 8.9 secs Computing kpt #: 148 total cpu time spent up to now is 9.0 secs Computing kpt #: 149 total cpu time spent up to now is 9.1 secs Computing kpt #: 150 total cpu time spent up to now is 9.2 secs Computing kpt #: 151 total cpu time spent up to now is 9.3 secs Computing kpt #: 152 total cpu time spent up to now is 9.3 secs Computing kpt #: 153 total cpu time spent up to now is 9.4 secs Computing kpt #: 154 total cpu time spent up to now is 9.5 secs Computing kpt #: 155 total cpu time spent up to now is 9.5 secs Computing kpt #: 156 total cpu time spent up to now is 9.6 secs Computing kpt #: 157 total cpu time spent up to now is 9.6 secs Computing kpt #: 158 total cpu time spent up to now is 9.7 secs Computing kpt #: 159 total cpu time spent up to now is 9.7 secs Computing kpt #: 160 total cpu time spent up to now is 9.8 secs Computing kpt #: 161 total cpu time spent up to now is 9.9 secs Computing kpt #: 162 total cpu time spent up to now is 9.9 secs Computing kpt #: 163 total cpu time spent up to now is 10.0 secs Computing kpt #: 164 total cpu time spent up to now is 10.0 secs Computing kpt #: 165 total cpu time spent up to now is 10.1 secs Computing kpt #: 166 total cpu time spent up to now is 10.1 secs Computing kpt #: 167 total cpu time spent up to now is 10.2 secs Computing kpt #: 168 total cpu time spent up to now is 10.3 secs Computing kpt #: 169 total cpu time spent up to now is 10.3 secs Computing kpt #: 170 total cpu time spent up to now is 10.4 secs Computing kpt #: 171 total cpu time spent up to now is 10.4 secs Computing kpt #: 172 total cpu time spent up to now is 10.5 secs Computing kpt #: 173 total cpu time spent up to now is 10.5 secs Computing kpt #: 174 total cpu time spent up to now is 10.6 secs Computing kpt #: 175 total cpu time spent up to now is 10.6 secs Computing kpt #: 176 total cpu time spent up to now is 10.7 secs Computing kpt #: 177 total cpu time spent up to now is 10.8 secs Computing kpt #: 178 total cpu time spent up to now is 10.8 secs Computing kpt #: 179 total cpu time spent up to now is 10.9 secs Computing kpt #: 180 total cpu time spent up to now is 10.9 secs Computing kpt #: 181 total cpu time spent up to now is 11.0 secs Computing kpt #: 182 total cpu time spent up to now is 11.0 secs Computing kpt #: 183 total cpu time spent up to now is 11.1 secs Computing kpt #: 184 total cpu time spent up to now is 11.1 secs Computing kpt #: 185 total cpu time spent up to now is 11.2 secs Computing kpt #: 186 total cpu time spent up to now is 11.2 secs Computing kpt #: 187 total cpu time spent up to now is 11.3 secs Computing kpt #: 188 total cpu time spent up to now is 11.3 secs Computing kpt #: 189 total cpu time spent up to now is 11.4 secs Computing kpt #: 190 total cpu time spent up to now is 11.4 secs Computing kpt #: 191 total cpu time spent up to now is 11.5 secs Computing kpt #: 192 total cpu time spent up to now is 11.6 secs Computing kpt #: 193 total cpu time spent up to now is 11.6 secs Computing kpt #: 194 total cpu time spent up to now is 11.7 secs Computing kpt #: 195 total cpu time spent up to now is 11.7 secs Computing kpt #: 196 total cpu time spent up to now is 11.8 secs Computing kpt #: 197 total cpu time spent up to now is 11.8 secs Computing kpt #: 198 total cpu time spent up to now is 11.9 secs Computing kpt #: 199 total cpu time spent up to now is 11.9 secs Computing kpt #: 200 total cpu time spent up to now is 12.0 secs Computing kpt #: 201 total cpu time spent up to now is 12.0 secs Computing kpt #: 202 total cpu time spent up to now is 12.1 secs Computing kpt #: 203 total cpu time spent up to now is 12.2 secs Computing kpt #: 204 total cpu time spent up to now is 12.2 secs Computing kpt #: 205 total cpu time spent up to now is 12.3 secs Computing kpt #: 206 total cpu time spent up to now is 12.3 secs Computing kpt #: 207 total cpu time spent up to now is 12.4 secs Computing kpt #: 208 total cpu time spent up to now is 12.4 secs Computing kpt #: 209 total cpu time spent up to now is 12.5 secs Computing kpt #: 210 total cpu time spent up to now is 12.5 secs Computing kpt #: 211 total cpu time spent up to now is 12.6 secs Computing kpt #: 212 total cpu time spent up to now is 12.7 secs Computing kpt #: 213 total cpu time spent up to now is 12.7 secs Computing kpt #: 214 total cpu time spent up to now is 12.8 secs Computing kpt #: 215 total cpu time spent up to now is 12.9 secs Computing kpt #: 216 total cpu time spent up to now is 13.0 secs Computing kpt #: 217 total cpu time spent up to now is 13.1 secs Computing kpt #: 218 total cpu time spent up to now is 13.2 secs Computing kpt #: 219 total cpu time spent up to now is 13.3 secs Computing kpt #: 220 total cpu time spent up to now is 13.4 secs Computing kpt #: 221 total cpu time spent up to now is 13.6 secs Computing kpt #: 222 total cpu time spent up to now is 13.8 secs Computing kpt #: 223 total cpu time spent up to now is 13.9 secs Computing kpt #: 224 total cpu time spent up to now is 14.1 secs Computing kpt #: 225 total cpu time spent up to now is 14.2 secs Computing kpt #: 226 total cpu time spent up to now is 14.4 secs Computing kpt #: 227 total cpu time spent up to now is 14.5 secs Computing kpt #: 228 total cpu time spent up to now is 14.6 secs Computing kpt #: 229 total cpu time spent up to now is 14.7 secs Computing kpt #: 230 total cpu time spent up to now is 14.8 secs Computing kpt #: 231 total cpu time spent up to now is 14.9 secs Computing kpt #: 232 total cpu time spent up to now is 15.0 secs Computing kpt #: 233 total cpu time spent up to now is 15.1 secs Computing kpt #: 234 total cpu time spent up to now is 15.1 secs Computing kpt #: 235 total cpu time spent up to now is 15.2 secs Computing kpt #: 236 total cpu time spent up to now is 15.3 secs Computing kpt #: 237 total cpu time spent up to now is 15.4 secs Computing kpt #: 238 total cpu time spent up to now is 15.5 secs Computing kpt #: 239 total cpu time spent up to now is 15.6 secs Computing kpt #: 240 total cpu time spent up to now is 15.7 secs Computing kpt #: 241 total cpu time spent up to now is 15.8 secs Computing kpt #: 242 total cpu time spent up to now is 15.9 secs Computing kpt #: 243 total cpu time spent up to now is 16.0 secs Computing kpt #: 244 total cpu time spent up to now is 16.1 secs Computing kpt #: 245 total cpu time spent up to now is 16.1 secs Computing kpt #: 246 total cpu time spent up to now is 16.2 secs Computing kpt #: 247 total cpu time spent up to now is 16.4 secs Computing kpt #: 248 total cpu time spent up to now is 16.5 secs Computing kpt #: 249 total cpu time spent up to now is 16.6 secs Computing kpt #: 250 total cpu time spent up to now is 16.6 secs Computing kpt #: 251 total cpu time spent up to now is 16.7 secs Computing kpt #: 252 total cpu time spent up to now is 16.8 secs Computing kpt #: 253 total cpu time spent up to now is 16.8 secs Computing kpt #: 254 total cpu time spent up to now is 16.9 secs Computing kpt #: 255 total cpu time spent up to now is 16.9 secs Computing kpt #: 256 total cpu time spent up to now is 17.0 secs Computing kpt #: 257 total cpu time spent up to now is 17.0 secs Computing kpt #: 258 total cpu time spent up to now is 17.1 secs Computing kpt #: 259 total cpu time spent up to now is 17.1 secs Computing kpt #: 260 total cpu time spent up to now is 17.2 secs Computing kpt #: 261 total cpu time spent up to now is 17.2 secs Computing kpt #: 262 total cpu time spent up to now is 17.3 secs Computing kpt #: 263 total cpu time spent up to now is 17.4 secs Computing kpt #: 264 total cpu time spent up to now is 17.4 secs Computing kpt #: 265 total cpu time spent up to now is 17.5 secs Computing kpt #: 266 total cpu time spent up to now is 17.5 secs Computing kpt #: 267 total cpu time spent up to now is 17.6 secs Computing kpt #: 268 total cpu time spent up to now is 17.6 secs Computing kpt #: 269 total cpu time spent up to now is 17.7 secs Computing kpt #: 270 total cpu time spent up to now is 17.7 secs Computing kpt #: 271 total cpu time spent up to now is 17.8 secs Computing kpt #: 272 total cpu time spent up to now is 17.8 secs Computing kpt #: 273 total cpu time spent up to now is 17.9 secs Computing kpt #: 274 total cpu time spent up to now is 17.9 secs Computing kpt #: 275 total cpu time spent up to now is 18.0 secs Computing kpt #: 276 total cpu time spent up to now is 18.1 secs Computing kpt #: 277 total cpu time spent up to now is 18.2 secs Computing kpt #: 278 total cpu time spent up to now is 18.2 secs Computing kpt #: 279 total cpu time spent up to now is 18.3 secs Computing kpt #: 280 total cpu time spent up to now is 18.3 secs Computing kpt #: 281 total cpu time spent up to now is 18.4 secs Computing kpt #: 282 total cpu time spent up to now is 18.4 secs Computing kpt #: 283 total cpu time spent up to now is 18.5 secs Computing kpt #: 284 total cpu time spent up to now is 18.5 secs Computing kpt #: 285 total cpu time spent up to now is 18.6 secs Computing kpt #: 286 total cpu time spent up to now is 18.6 secs Computing kpt #: 287 total cpu time spent up to now is 18.7 secs Computing kpt #: 288 total cpu time spent up to now is 18.8 secs Computing kpt #: 289 total cpu time spent up to now is 18.8 secs Computing kpt #: 290 total cpu time spent up to now is 18.9 secs Computing kpt #: 291 total cpu time spent up to now is 18.9 secs Computing kpt #: 292 total cpu time spent up to now is 19.0 secs Computing kpt #: 293 total cpu time spent up to now is 19.0 secs Computing kpt #: 294 total cpu time spent up to now is 19.1 secs Computing kpt #: 295 total cpu time spent up to now is 19.1 secs Computing kpt #: 296 total cpu time spent up to now is 19.2 secs Computing kpt #: 297 total cpu time spent up to now is 19.2 secs Computing kpt #: 298 total cpu time spent up to now is 19.3 secs Computing kpt #: 299 total cpu time spent up to now is 19.3 secs Computing kpt #: 300 total cpu time spent up to now is 19.4 secs Computing kpt #: 301 total cpu time spent up to now is 19.4 secs Computing kpt #: 302 total cpu time spent up to now is 19.5 secs Computing kpt #: 303 total cpu time spent up to now is 19.5 secs Computing kpt #: 304 total cpu time spent up to now is 19.6 secs Computing kpt #: 305 total cpu time spent up to now is 19.6 secs Computing kpt #: 306 total cpu time spent up to now is 19.7 secs Computing kpt #: 307 total cpu time spent up to now is 19.8 secs Computing kpt #: 308 total cpu time spent up to now is 19.8 secs Computing kpt #: 309 total cpu time spent up to now is 19.9 secs Computing kpt #: 310 total cpu time spent up to now is 19.9 secs Computing kpt #: 311 total cpu time spent up to now is 20.0 secs Computing kpt #: 312 total cpu time spent up to now is 20.0 secs Computing kpt #: 313 total cpu time spent up to now is 20.1 secs Computing kpt #: 314 total cpu time spent up to now is 20.1 secs Computing kpt #: 315 total cpu time spent up to now is 20.2 secs Computing kpt #: 316 total cpu time spent up to now is 20.2 secs Computing kpt #: 317 total cpu time spent up to now is 20.2 secs Computing kpt #: 318 total cpu time spent up to now is 20.3 secs Computing kpt #: 319 total cpu time spent up to now is 20.3 secs Computing kpt #: 320 total cpu time spent up to now is 20.4 secs Computing kpt #: 321 total cpu time spent up to now is 20.4 secs Computing kpt #: 322 total cpu time spent up to now is 20.5 secs Computing kpt #: 323 total cpu time spent up to now is 20.6 secs Computing kpt #: 324 total cpu time spent up to now is 20.6 secs Computing kpt #: 325 total cpu time spent up to now is 20.7 secs Computing kpt #: 326 total cpu time spent up to now is 20.7 secs Computing kpt #: 327 total cpu time spent up to now is 20.8 secs Computing kpt #: 328 total cpu time spent up to now is 20.8 secs Computing kpt #: 329 total cpu time spent up to now is 20.9 secs Computing kpt #: 330 total cpu time spent up to now is 20.9 secs Computing kpt #: 331 total cpu time spent up to now is 21.0 secs Computing kpt #: 332 total cpu time spent up to now is 21.0 secs Computing kpt #: 333 total cpu time spent up to now is 21.1 secs Computing kpt #: 334 total cpu time spent up to now is 21.2 secs Computing kpt #: 335 total cpu time spent up to now is 21.3 secs Computing kpt #: 336 total cpu time spent up to now is 21.4 secs Computing kpt #: 337 total cpu time spent up to now is 21.4 secs Computing kpt #: 338 total cpu time spent up to now is 21.5 secs Computing kpt #: 339 total cpu time spent up to now is 21.5 secs Computing kpt #: 340 total cpu time spent up to now is 21.6 secs Computing kpt #: 341 total cpu time spent up to now is 21.6 secs Computing kpt #: 342 total cpu time spent up to now is 21.7 secs Computing kpt #: 343 total cpu time spent up to now is 21.7 secs Computing kpt #: 344 total cpu time spent up to now is 21.8 secs Computing kpt #: 345 total cpu time spent up to now is 21.8 secs Computing kpt #: 346 total cpu time spent up to now is 21.9 secs Computing kpt #: 347 total cpu time spent up to now is 21.9 secs Computing kpt #: 348 total cpu time spent up to now is 22.0 secs Computing kpt #: 349 total cpu time spent up to now is 22.0 secs Computing kpt #: 350 total cpu time spent up to now is 22.1 secs Computing kpt #: 351 total cpu time spent up to now is 22.1 secs Computing kpt #: 352 total cpu time spent up to now is 22.2 secs Computing kpt #: 353 total cpu time spent up to now is 22.2 secs Computing kpt #: 354 total cpu time spent up to now is 22.3 secs Computing kpt #: 355 total cpu time spent up to now is 22.3 secs Computing kpt #: 356 total cpu time spent up to now is 22.4 secs Computing kpt #: 357 total cpu time spent up to now is 22.4 secs Computing kpt #: 358 total cpu time spent up to now is 22.5 secs Computing kpt #: 359 total cpu time spent up to now is 22.5 secs Computing kpt #: 360 total cpu time spent up to now is 22.6 secs Computing kpt #: 361 total cpu time spent up to now is 22.6 secs Computing kpt #: 362 total cpu time spent up to now is 22.7 secs Computing kpt #: 363 total cpu time spent up to now is 22.7 secs Computing kpt #: 364 total cpu time spent up to now is 22.7 secs Computing kpt #: 365 total cpu time spent up to now is 22.8 secs Computing kpt #: 366 total cpu time spent up to now is 22.9 secs Computing kpt #: 367 total cpu time spent up to now is 23.0 secs Computing kpt #: 368 total cpu time spent up to now is 23.0 secs Computing kpt #: 369 total cpu time spent up to now is 23.1 secs Computing kpt #: 370 total cpu time spent up to now is 23.1 secs Computing kpt #: 371 total cpu time spent up to now is 23.2 secs Computing kpt #: 372 total cpu time spent up to now is 23.2 secs Computing kpt #: 373 total cpu time spent up to now is 23.2 secs Computing kpt #: 374 total cpu time spent up to now is 23.3 secs Computing kpt #: 375 total cpu time spent up to now is 23.3 secs Computing kpt #: 376 total cpu time spent up to now is 23.4 secs Computing kpt #: 377 total cpu time spent up to now is 23.4 secs Computing kpt #: 378 total cpu time spent up to now is 23.5 secs Computing kpt #: 379 total cpu time spent up to now is 23.5 secs Computing kpt #: 380 total cpu time spent up to now is 23.6 secs Computing kpt #: 381 total cpu time spent up to now is 23.6 secs Computing kpt #: 382 total cpu time spent up to now is 23.7 secs Computing kpt #: 383 total cpu time spent up to now is 23.7 secs Computing kpt #: 384 total cpu time spent up to now is 23.8 secs Computing kpt #: 385 total cpu time spent up to now is 23.8 secs Computing kpt #: 386 total cpu time spent up to now is 23.8 secs Computing kpt #: 387 total cpu time spent up to now is 23.9 secs Computing kpt #: 388 total cpu time spent up to now is 23.9 secs Computing kpt #: 389 total cpu time spent up to now is 24.0 secs Computing kpt #: 390 total cpu time spent up to now is 24.0 secs Computing kpt #: 391 total cpu time spent up to now is 24.1 secs Computing kpt #: 392 total cpu time spent up to now is 24.1 secs Computing kpt #: 393 total cpu time spent up to now is 24.2 secs Computing kpt #: 394 total cpu time spent up to now is 24.3 secs Computing kpt #: 395 total cpu time spent up to now is 24.4 secs Computing kpt #: 396 total cpu time spent up to now is 24.5 secs Computing kpt #: 397 total cpu time spent up to now is 24.5 secs Computing kpt #: 398 total cpu time spent up to now is 24.6 secs Computing kpt #: 399 total cpu time spent up to now is 24.7 secs Computing kpt #: 400 total cpu time spent up to now is 24.8 secs Computing kpt #: 401 total cpu time spent up to now is 24.9 secs Computing kpt #: 402 total cpu time spent up to now is 24.9 secs Computing kpt #: 403 total cpu time spent up to now is 25.0 secs Computing kpt #: 404 total cpu time spent up to now is 25.1 secs Computing kpt #: 405 total cpu time spent up to now is 25.1 secs Computing kpt #: 406 total cpu time spent up to now is 25.2 secs Computing kpt #: 407 total cpu time spent up to now is 25.3 secs Computing kpt #: 408 total cpu time spent up to now is 25.3 secs Computing kpt #: 409 total cpu time spent up to now is 25.4 secs Computing kpt #: 410 total cpu time spent up to now is 25.5 secs Computing kpt #: 411 total cpu time spent up to now is 25.5 secs Computing kpt #: 412 total cpu time spent up to now is 25.6 secs Computing kpt #: 413 total cpu time spent up to now is 25.7 secs Computing kpt #: 414 total cpu time spent up to now is 25.7 secs Computing kpt #: 415 total cpu time spent up to now is 25.8 secs Computing kpt #: 416 total cpu time spent up to now is 25.9 secs Computing kpt #: 417 total cpu time spent up to now is 25.9 secs Computing kpt #: 418 total cpu time spent up to now is 26.0 secs Computing kpt #: 419 total cpu time spent up to now is 26.1 secs Computing kpt #: 420 total cpu time spent up to now is 26.1 secs Computing kpt #: 421 total cpu time spent up to now is 26.2 secs Computing kpt #: 422 total cpu time spent up to now is 26.2 secs Computing kpt #: 423 total cpu time spent up to now is 26.3 secs Computing kpt #: 424 total cpu time spent up to now is 26.4 secs Computing kpt #: 425 total cpu time spent up to now is 26.4 secs Computing kpt #: 426 total cpu time spent up to now is 26.5 secs Computing kpt #: 427 total cpu time spent up to now is 26.6 secs Computing kpt #: 428 total cpu time spent up to now is 26.6 secs Computing kpt #: 429 total cpu time spent up to now is 26.7 secs Computing kpt #: 430 total cpu time spent up to now is 26.8 secs Computing kpt #: 431 total cpu time spent up to now is 26.8 secs Computing kpt #: 432 total cpu time spent up to now is 26.9 secs Computing kpt #: 433 total cpu time spent up to now is 27.0 secs Computing kpt #: 434 total cpu time spent up to now is 27.0 secs Computing kpt #: 435 total cpu time spent up to now is 27.1 secs Computing kpt #: 436 total cpu time spent up to now is 27.1 secs Computing kpt #: 437 total cpu time spent up to now is 27.2 secs Computing kpt #: 438 total cpu time spent up to now is 27.3 secs Computing kpt #: 439 total cpu time spent up to now is 27.3 secs Computing kpt #: 440 total cpu time spent up to now is 27.4 secs Computing kpt #: 441 total cpu time spent up to now is 27.4 secs Computing kpt #: 442 total cpu time spent up to now is 27.5 secs Computing kpt #: 443 total cpu time spent up to now is 27.6 secs Computing kpt #: 444 total cpu time spent up to now is 27.6 secs Computing kpt #: 445 total cpu time spent up to now is 27.7 secs Computing kpt #: 446 total cpu time spent up to now is 27.7 secs Computing kpt #: 447 total cpu time spent up to now is 27.8 secs Computing kpt #: 448 total cpu time spent up to now is 27.8 secs Computing kpt #: 449 total cpu time spent up to now is 27.9 secs Computing kpt #: 450 total cpu time spent up to now is 28.0 secs Computing kpt #: 451 total cpu time spent up to now is 28.0 secs Computing kpt #: 452 total cpu time spent up to now is 28.1 secs Computing kpt #: 453 total cpu time spent up to now is 28.1 secs Computing kpt #: 454 total cpu time spent up to now is 28.2 secs Computing kpt #: 455 total cpu time spent up to now is 28.2 secs Computing kpt #: 456 total cpu time spent up to now is 28.3 secs Computing kpt #: 457 total cpu time spent up to now is 28.3 secs Computing kpt #: 458 total cpu time spent up to now is 28.4 secs Computing kpt #: 459 total cpu time spent up to now is 28.4 secs Computing kpt #: 460 total cpu time spent up to now is 28.5 secs Computing kpt #: 461 total cpu time spent up to now is 28.5 secs Computing kpt #: 462 total cpu time spent up to now is 28.6 secs Computing kpt #: 463 total cpu time spent up to now is 28.6 secs Computing kpt #: 464 total cpu time spent up to now is 28.7 secs Computing kpt #: 465 total cpu time spent up to now is 28.8 secs Computing kpt #: 466 total cpu time spent up to now is 28.8 secs Computing kpt #: 467 total cpu time spent up to now is 28.9 secs Computing kpt #: 468 total cpu time spent up to now is 28.9 secs Computing kpt #: 469 total cpu time spent up to now is 29.0 secs Computing kpt #: 470 total cpu time spent up to now is 29.0 secs Computing kpt #: 471 total cpu time spent up to now is 29.1 secs Computing kpt #: 472 total cpu time spent up to now is 29.1 secs Computing kpt #: 473 total cpu time spent up to now is 29.2 secs Computing kpt #: 474 total cpu time spent up to now is 29.2 secs Computing kpt #: 475 total cpu time spent up to now is 29.3 secs Computing kpt #: 476 total cpu time spent up to now is 29.3 secs Computing kpt #: 477 total cpu time spent up to now is 29.3 secs Computing kpt #: 478 total cpu time spent up to now is 29.4 secs Computing kpt #: 479 total cpu time spent up to now is 29.4 secs Computing kpt #: 480 total cpu time spent up to now is 29.5 secs Computing kpt #: 481 total cpu time spent up to now is 29.5 secs Computing kpt #: 482 total cpu time spent up to now is 29.6 secs Computing kpt #: 483 total cpu time spent up to now is 29.6 secs Computing kpt #: 484 total cpu time spent up to now is 29.7 secs Computing kpt #: 485 total cpu time spent up to now is 29.7 secs Computing kpt #: 486 total cpu time spent up to now is 29.8 secs Computing kpt #: 487 total cpu time spent up to now is 29.8 secs Computing kpt #: 488 total cpu time spent up to now is 29.9 secs Computing kpt #: 489 total cpu time spent up to now is 29.9 secs Computing kpt #: 490 total cpu time spent up to now is 30.0 secs Computing kpt #: 491 total cpu time spent up to now is 30.0 secs Computing kpt #: 492 total cpu time spent up to now is 30.1 secs Computing kpt #: 493 total cpu time spent up to now is 30.1 secs Computing kpt #: 494 total cpu time spent up to now is 30.2 secs Computing kpt #: 495 total cpu time spent up to now is 30.2 secs Computing kpt #: 496 total cpu time spent up to now is 30.3 secs Computing kpt #: 497 total cpu time spent up to now is 30.3 secs Computing kpt #: 498 total cpu time spent up to now is 30.4 secs Computing kpt #: 499 total cpu time spent up to now is 30.4 secs Computing kpt #: 500 total cpu time spent up to now is 30.5 secs Computing kpt #: 501 total cpu time spent up to now is 30.5 secs Computing kpt #: 502 total cpu time spent up to now is 30.6 secs Computing kpt #: 503 total cpu time spent up to now is 30.6 secs Computing kpt #: 504 total cpu time spent up to now is 30.7 secs Computing kpt #: 505 total cpu time spent up to now is 30.7 secs Computing kpt #: 506 total cpu time spent up to now is 30.8 secs Computing kpt #: 507 total cpu time spent up to now is 30.8 secs Computing kpt #: 508 total cpu time spent up to now is 30.9 secs Computing kpt #: 509 total cpu time spent up to now is 30.9 secs Computing kpt #: 510 total cpu time spent up to now is 31.0 secs Computing kpt #: 511 total cpu time spent up to now is 31.0 secs Computing kpt #: 512 total cpu time spent up to now is 31.1 secs Computing kpt #: 513 total cpu time spent up to now is 31.1 secs Computing kpt #: 514 total cpu time spent up to now is 31.2 secs Computing kpt #: 515 total cpu time spent up to now is 31.2 secs Computing kpt #: 516 total cpu time spent up to now is 31.3 secs Computing kpt #: 517 total cpu time spent up to now is 31.3 secs Computing kpt #: 518 total cpu time spent up to now is 31.4 secs Computing kpt #: 519 total cpu time spent up to now is 31.4 secs Computing kpt #: 520 total cpu time spent up to now is 31.5 secs Computing kpt #: 521 total cpu time spent up to now is 31.5 secs Computing kpt #: 522 total cpu time spent up to now is 31.5 secs Computing kpt #: 523 total cpu time spent up to now is 31.6 secs Computing kpt #: 524 total cpu time spent up to now is 31.6 secs Computing kpt #: 525 total cpu time spent up to now is 31.7 secs Computing kpt #: 526 total cpu time spent up to now is 31.7 secs Computing kpt #: 527 total cpu time spent up to now is 31.8 secs Computing kpt #: 528 total cpu time spent up to now is 31.8 secs Computing kpt #: 529 total cpu time spent up to now is 31.9 secs Computing kpt #: 530 total cpu time spent up to now is 31.9 secs Computing kpt #: 531 total cpu time spent up to now is 32.0 secs Computing kpt #: 532 total cpu time spent up to now is 32.0 secs Computing kpt #: 533 total cpu time spent up to now is 32.1 secs Computing kpt #: 534 total cpu time spent up to now is 32.1 secs Computing kpt #: 535 total cpu time spent up to now is 32.2 secs Computing kpt #: 536 total cpu time spent up to now is 32.2 secs Computing kpt #: 537 total cpu time spent up to now is 32.3 secs Computing kpt #: 538 total cpu time spent up to now is 32.3 secs Computing kpt #: 539 total cpu time spent up to now is 32.4 secs Computing kpt #: 540 total cpu time spent up to now is 32.4 secs Computing kpt #: 541 total cpu time spent up to now is 32.4 secs Computing kpt #: 542 total cpu time spent up to now is 32.5 secs Computing kpt #: 543 total cpu time spent up to now is 32.5 secs Computing kpt #: 544 total cpu time spent up to now is 32.6 secs Computing kpt #: 545 total cpu time spent up to now is 32.6 secs Computing kpt #: 546 total cpu time spent up to now is 32.7 secs Computing kpt #: 547 total cpu time spent up to now is 32.7 secs Computing kpt #: 548 total cpu time spent up to now is 32.8 secs Computing kpt #: 549 total cpu time spent up to now is 32.8 secs Computing kpt #: 550 total cpu time spent up to now is 32.9 secs Computing kpt #: 551 total cpu time spent up to now is 32.9 secs Computing kpt #: 552 total cpu time spent up to now is 33.0 secs Computing kpt #: 553 total cpu time spent up to now is 33.0 secs Computing kpt #: 554 total cpu time spent up to now is 33.1 secs Computing kpt #: 555 total cpu time spent up to now is 33.1 secs Computing kpt #: 556 total cpu time spent up to now is 33.2 secs Computing kpt #: 557 total cpu time spent up to now is 33.2 secs Computing kpt #: 558 total cpu time spent up to now is 33.3 secs Computing kpt #: 559 total cpu time spent up to now is 33.3 secs Computing kpt #: 560 total cpu time spent up to now is 33.4 secs Computing kpt #: 561 total cpu time spent up to now is 33.4 secs Computing kpt #: 562 total cpu time spent up to now is 33.5 secs Computing kpt #: 563 total cpu time spent up to now is 33.6 secs Computing kpt #: 564 total cpu time spent up to now is 33.6 secs Computing kpt #: 565 total cpu time spent up to now is 33.7 secs Computing kpt #: 566 total cpu time spent up to now is 33.7 secs Computing kpt #: 567 total cpu time spent up to now is 33.8 secs Computing kpt #: 568 total cpu time spent up to now is 33.8 secs Computing kpt #: 569 total cpu time spent up to now is 33.9 secs Computing kpt #: 570 total cpu time spent up to now is 33.9 secs Computing kpt #: 571 total cpu time spent up to now is 34.0 secs Computing kpt #: 572 total cpu time spent up to now is 34.1 secs Computing kpt #: 573 total cpu time spent up to now is 34.1 secs Computing kpt #: 574 total cpu time spent up to now is 34.2 secs Computing kpt #: 575 total cpu time spent up to now is 34.2 secs Computing kpt #: 576 total cpu time spent up to now is 34.3 secs Computing kpt #: 577 total cpu time spent up to now is 34.3 secs Computing kpt #: 578 total cpu time spent up to now is 34.4 secs Computing kpt #: 579 total cpu time spent up to now is 34.4 secs Computing kpt #: 580 total cpu time spent up to now is 34.5 secs Computing kpt #: 581 total cpu time spent up to now is 34.5 secs Computing kpt #: 582 total cpu time spent up to now is 34.6 secs Computing kpt #: 583 total cpu time spent up to now is 34.6 secs Computing kpt #: 584 total cpu time spent up to now is 34.7 secs Computing kpt #: 585 total cpu time spent up to now is 34.8 secs Computing kpt #: 586 total cpu time spent up to now is 34.8 secs Computing kpt #: 587 total cpu time spent up to now is 34.9 secs Computing kpt #: 588 total cpu time spent up to now is 34.9 secs Computing kpt #: 589 total cpu time spent up to now is 35.0 secs Computing kpt #: 590 total cpu time spent up to now is 35.0 secs Computing kpt #: 591 total cpu time spent up to now is 35.1 secs Computing kpt #: 592 total cpu time spent up to now is 35.1 secs Computing kpt #: 593 total cpu time spent up to now is 35.2 secs Computing kpt #: 594 total cpu time spent up to now is 35.2 secs Computing kpt #: 595 total cpu time spent up to now is 35.3 secs Computing kpt #: 596 total cpu time spent up to now is 35.4 secs Computing kpt #: 597 total cpu time spent up to now is 35.4 secs Computing kpt #: 598 total cpu time spent up to now is 35.5 secs Computing kpt #: 599 total cpu time spent up to now is 35.5 secs ethr = 1.67E-07, avg # of iterations = 17.4 total cpu time spent up to now is 35.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 823 PWs) bands (ev): -29.2670 -29.2670 -10.3263 -10.3263 -9.4956 -9.4956 2.6604 2.6604 6.9103 6.9103 7.9329 7.9329 14.5697 14.5697 k = 0.0000 0.0000 0.0040 ( 823 PWs) bands (ev): -29.2670 -29.2670 -10.3264 -10.3264 -9.4956 -9.4956 2.6624 2.6624 6.8892 6.8892 7.9547 7.9547 14.5640 14.5640 k = 0.0000 0.0000 0.0079 ( 825 PWs) bands (ev): -29.2670 -29.2670 -10.3264 -10.3264 -9.4956 -9.4956 2.6684 2.6684 6.8306 6.8306 8.0154 8.0154 14.5471 14.5471 k = 0.0000 0.0000 0.0119 ( 826 PWs) bands (ev): -29.2670 -29.2670 -10.3265 -10.3265 -9.4956 -9.4956 2.6784 2.6784 6.7445 6.7445 8.1048 8.1048 14.5193 14.5193 k = 0.0000 0.0000 0.0159 ( 824 PWs) bands (ev): -29.2670 -29.2670 -10.3266 -10.3266 -9.4956 -9.4956 2.6924 2.6924 6.6408 6.6408 8.2133 8.2133 14.4812 14.4812 k = 0.0000 0.0000 0.0199 ( 829 PWs) bands (ev): -29.2670 -29.2670 -10.3268 -10.3268 -9.4956 -9.4956 2.7103 2.7103 6.5260 6.5260 8.3341 8.3341 14.4333 14.4333 k = 0.0000 0.0000 0.0238 ( 828 PWs) bands (ev): -29.2670 -29.2670 -10.3269 -10.3269 -9.4956 -9.4956 2.7322 2.7322 6.4045 6.4045 8.4628 8.4628 14.3764 14.3764 k = 0.0000 0.0000 0.0278 ( 828 PWs) bands (ev): -29.2670 -29.2670 -10.3271 -10.3271 -9.4956 -9.4956 2.7580 2.7580 6.2791 6.2791 8.5965 8.5965 14.3114 14.3114 k = 0.0000 0.0000 0.0318 ( 832 PWs) bands (ev): -29.2670 -29.2670 -10.3274 -10.3274 -9.4956 -9.4956 2.7877 2.7877 6.1515 6.1515 8.7334 8.7334 14.2391 14.2391 k = 0.0000 0.0000 0.0358 ( 833 PWs) bands (ev): -29.2670 -29.2670 -10.3276 -10.3276 -9.4956 -9.4956 2.8212 2.8212 6.0230 6.0230 8.8723 8.8723 14.1604 14.1604 k = 0.0000 0.0000 0.0397 ( 833 PWs) bands (ev): -29.2670 -29.2670 -10.3279 -10.3279 -9.4956 -9.4956 2.8585 2.8585 5.8943 5.8943 9.0121 9.0121 14.0763 14.0763 k = 0.0000 0.0000 0.0437 ( 833 PWs) bands (ev): -29.2670 -29.2670 -10.3281 -10.3281 -9.4956 -9.4956 2.8996 2.8996 5.7661 5.7661 9.1521 9.1521 13.9875 13.9875 k = 0.0000 0.0000 0.0477 ( 833 PWs) bands (ev): -29.2670 -29.2670 -10.3284 -10.3284 -9.4956 -9.4956 2.9443 2.9443 5.6388 5.6388 9.2915 9.2915 13.8949 13.8949 k = 0.0000 0.0000 0.0517 ( 832 PWs) bands (ev): -29.2670 -29.2670 -10.3287 -10.3287 -9.4956 -9.4956 2.9926 2.9926 5.5129 5.5129 9.4297 9.4297 13.7993 13.7993 k = 0.0000 0.0000 0.0556 ( 834 PWs) bands (ev): -29.2670 -29.2670 -10.3290 -10.3290 -9.4956 -9.4956 3.0443 3.0443 5.3886 5.3886 9.5661 9.5661 13.7017 13.7017 k = 0.0000 0.0000 0.0596 ( 838 PWs) bands (ev): -29.2670 -29.2670 -10.3292 -10.3292 -9.4956 -9.4956 3.0994 3.0994 5.2663 5.2663 9.6999 9.6999 13.6029 13.6029 k = 0.0000 0.0000 0.0636 ( 838 PWs) bands (ev): -29.2670 -29.2670 -10.3295 -10.3295 -9.4956 -9.4956 3.1577 3.1577 5.1462 5.1462 9.8304 9.8304 13.5039 13.5039 k = 0.0000 0.0000 0.0676 ( 838 PWs) bands (ev): -29.2670 -29.2670 -10.3298 -10.3298 -9.4956 -9.4956 3.2189 3.2189 5.0288 5.0288 9.9565 9.9565 13.4058 13.4058 k = 0.0000 0.0000 0.0715 ( 838 PWs) bands (ev): -29.2670 -29.2670 -10.3300 -10.3300 -9.4956 -9.4956 3.2829 3.2829 4.9144 4.9144 10.0774 10.0774 13.3098 13.3098 k = 0.0000 0.0000 0.0755 ( 838 PWs) bands (ev): -29.2670 -29.2670 -10.3302 -10.3302 -9.4956 -9.4956 3.3491 3.3491 4.8035 4.8035 10.1915 10.1915 13.2173 13.2173 k = 0.0000 0.0000 0.0795 ( 837 PWs) bands (ev): -29.2670 -29.2670 -10.3304 -10.3304 -9.4956 -9.4956 3.4170 3.4170 4.6967 4.6967 10.2974 10.2974 13.1300 13.1300 k = 0.0000 0.0000 0.0835 ( 837 PWs) bands (ev): -29.2670 -29.2670 -10.3306 -10.3306 -9.4956 -9.4956 3.4857 3.4857 4.5951 4.5951 10.3931 10.3931 13.0499 13.0499 k = 0.0000 0.0000 0.0874 ( 835 PWs) bands (ev): -29.2670 -29.2670 -10.3307 -10.3307 -9.4956 -9.4956 3.5536 3.5536 4.5002 4.5002 10.4765 10.4765 12.9792 12.9792 k = 0.0000 0.0000 0.0914 ( 835 PWs) bands (ev): -29.2670 -29.2670 -10.3309 -10.3309 -9.4956 -9.4956 3.6181 3.6181 4.4146 4.4146 10.5451 10.5451 12.9205 12.9205 k = 0.0000 0.0000 0.0954 ( 834 PWs) bands (ev): -29.2670 -29.2670 -10.3309 -10.3309 -9.4956 -9.4956 3.6746 3.6746 4.3431 4.3431 10.5964 10.5964 12.8761 12.8761 k = 0.0000 0.0000 0.0994 ( 833 PWs) bands (ev): -29.2670 -29.2670 -10.3310 -10.3310 -9.4956 -9.4956 3.7153 3.7153 4.2934 4.2934 10.6283 10.6283 12.8485 12.8485 k = 0.0000 0.0000 0.1033 ( 830 PWs) bands (ev): -29.2670 -29.2670 -10.3310 -10.3310 -9.4956 -9.4956 3.7305 3.7305 4.2751 4.2751 10.6391 10.6391 12.8391 12.8391 k = 0.0000 0.0000 0.1033 ( 830 PWs) bands (ev): -29.2670 -29.2670 -10.3310 -10.3310 -9.4956 -9.4956 3.7305 3.7305 4.2751 4.2751 10.6391 10.6391 12.8391 12.8391 k = 0.0000 0.0039 0.1033 ( 831 PWs) bands (ev): -29.2668 -29.2668 -10.3308 -10.3308 -9.4969 -9.4969 3.7318 3.7318 4.2774 4.2774 10.6413 10.6413 12.8380 12.8380 k = 0.0000 0.0078 0.1033 ( 833 PWs) bands (ev): -29.2664 -29.2664 -10.3302 -10.3302 -9.5008 -9.5008 3.7355 3.7355 4.2842 4.2842 10.6479 10.6479 12.8349 12.8349 k = 0.0000 0.0117 0.1033 ( 833 PWs) bands (ev): -29.2658 -29.2658 -10.3292 -10.3292 -9.5072 -9.5072 3.7417 3.7417 4.2954 4.2954 10.6590 10.6590 12.8298 12.8298 k = 0.0000 0.0156 0.1033 ( 831 PWs) bands (ev): -29.2649 -29.2649 -10.3279 -10.3279 -9.5162 -9.5162 3.7503 3.7503 4.3112 4.3112 10.6744 10.6744 12.8224 12.8224 k = 0.0000 0.0196 0.1033 ( 833 PWs) bands (ev): -29.2637 -29.2637 -10.3261 -10.3261 -9.5277 -9.5277 3.7615 3.7615 4.3314 4.3314 10.6941 10.6941 12.8129 12.8129 k = 0.0000 0.0235 0.1033 ( 833 PWs) bands (ev): -29.2623 -29.2623 -10.3240 -10.3240 -9.5415 -9.5415 3.7751 3.7751 4.3560 4.3560 10.7179 10.7179 12.8011 12.8011 k = 0.0000 0.0274 0.1033 ( 833 PWs) bands (ev): -29.2607 -29.2607 -10.3215 -10.3215 -9.5578 -9.5578 3.7912 3.7912 4.3850 4.3850 10.7458 10.7458 12.7868 12.7868 k = 0.0000 0.0313 0.1033 ( 831 PWs) bands (ev): -29.2588 -29.2588 -10.3186 -10.3186 -9.5763 -9.5763 3.8097 3.8097 4.4182 4.4182 10.7776 10.7776 12.7700 12.7700 k = 0.0000 0.0352 0.1033 ( 831 PWs) bands (ev): -29.2567 -29.2567 -10.3154 -10.3154 -9.5971 -9.5971 3.8308 3.8308 4.4556 4.4556 10.8131 10.8131 12.7506 12.7506 k = 0.0000 0.0391 0.1033 ( 832 PWs) bands (ev): -29.2544 -29.2544 -10.3118 -10.3118 -9.6199 -9.6199 3.8542 3.8542 4.4972 4.4972 10.8521 10.8521 12.7282 12.7282 k = 0.0000 0.0430 0.1033 ( 832 PWs) bands (ev): -29.2518 -29.2518 -10.3079 -10.3079 -9.6448 -9.6448 3.8802 3.8802 4.5428 4.5428 10.8942 10.8942 12.7028 12.7028 k = 0.0000 0.0469 0.1033 ( 829 PWs) bands (ev): -29.2491 -29.2491 -10.3037 -10.3037 -9.6715 -9.6715 3.9086 3.9086 4.5924 4.5924 10.9394 10.9394 12.6742 12.6742 k = 0.0000 0.0509 0.1033 ( 827 PWs) bands (ev): -29.2461 -29.2461 -10.2992 -10.2992 -9.7001 -9.7001 3.9394 3.9394 4.6457 4.6457 10.9869 10.9869 12.6421 12.6421 k = 0.0000 0.0548 0.1033 ( 827 PWs) bands (ev): -29.2429 -29.2429 -10.2944 -10.2944 -9.7302 -9.7302 3.9727 3.9727 4.7029 4.7029 11.0364 11.0364 12.6063 12.6063 k = 0.0000 0.0587 0.1033 ( 831 PWs) bands (ev): -29.2396 -29.2396 -10.2893 -10.2893 -9.7619 -9.7619 4.0084 4.0084 4.7637 4.7637 11.0874 11.0874 12.5666 12.5666 k = 0.0000 0.0626 0.1033 ( 830 PWs) bands (ev): -29.2361 -29.2361 -10.2839 -10.2839 -9.7950 -9.7950 4.0466 4.0466 4.8281 4.8281 11.1392 11.1392 12.5227 12.5227 k = 0.0000 0.0665 0.1033 ( 830 PWs) bands (ev): -29.2324 -29.2324 -10.2783 -10.2783 -9.8294 -9.8294 4.0872 4.0872 4.8959 4.8959 11.1909 11.1909 12.4746 12.4746 k = 0.0000 0.0704 0.1033 ( 826 PWs) bands (ev): -29.2286 -29.2286 -10.2725 -10.2725 -9.8648 -9.8648 4.1302 4.1302 4.9671 4.9671 11.2416 11.2416 12.4221 12.4221 k = 0.0000 0.0743 0.1033 ( 828 PWs) bands (ev): -29.2246 -29.2246 -10.2665 -10.2665 -9.9012 -9.9012 4.1756 4.1756 5.0416 5.0416 11.2899 11.2899 12.3653 12.3653 k = 0.0000 0.0782 0.1033 ( 828 PWs) bands (ev): -29.2206 -29.2206 -10.2602 -10.2602 -9.9384 -9.9384 4.2234 4.2234 5.1192 5.1192 11.3342 11.3342 12.3041 12.3041 k = 0.0000 0.0821 0.1033 ( 830 PWs) bands (ev): -29.2164 -29.2164 -10.2539 -10.2539 -9.9764 -9.9764 4.2736 4.2736 5.1998 5.1998 11.3727 11.3727 12.2391 12.2391 k = 0.0000 0.0861 0.1033 ( 830 PWs) bands (ev): -29.2121 -29.2121 -10.2474 -10.2474 -10.0148 -10.0148 4.3262 4.3262 5.2835 5.2835 11.4026 11.4026 12.1711 12.1712 k = 0.0000 0.0900 0.1033 ( 830 PWs) bands (ev): -29.2077 -29.2077 -10.2408 -10.2408 -10.0536 -10.0536 4.3812 4.3812 5.3700 5.3700 11.4209 11.4209 12.1015 12.1015 k = 0.0000 0.0939 0.1033 ( 830 PWs) bands (ev): -29.2033 -29.2033 -10.2342 -10.2342 -10.0926 -10.0926 4.4385 4.4385 5.4593 5.4593 11.4236 11.4236 12.0322 12.0322 k = 0.0000 0.0978 0.1033 ( 830 PWs) bands (ev): -29.1988 -29.1988 -10.2277 -10.2277 -10.1316 -10.1316 4.4981 4.4981 5.5514 5.5514 11.4067 11.4067 11.9655 11.9655 k = 0.0000 0.1017 0.1033 ( 830 PWs) bands (ev): -29.1943 -29.1943 -10.2218 -10.2218 -10.1699 -10.1699 4.5601 4.5601 5.6461 5.6461 11.3668 11.3668 11.9033 11.9033 k = 0.0000 0.1056 0.1033 ( 832 PWs) bands (ev): -29.1898 -29.1898 -10.2222 -10.2222 -10.2016 -10.2016 4.6244 4.6244 5.7433 5.7433 11.3029 11.3029 11.8454 11.8454 k = 0.0000 0.1095 0.1033 ( 838 PWs) bands (ev): -29.1853 -29.1853 -10.2523 -10.2523 -10.2034 -10.2034 4.6910 4.6910 5.8430 5.8430 11.2168 11.2168 11.7895 11.7895 k = 0.0000 0.1134 0.1033 ( 838 PWs) bands (ev): -29.1808 -29.1808 -10.2898 -10.2898 -10.1976 -10.1976 4.7599 4.7599 5.9452 5.9452 11.1121 11.1121 11.7324 11.7324 k = 0.0000 0.1174 0.1033 ( 838 PWs) bands (ev): -29.1763 -29.1763 -10.3274 -10.3274 -10.1910 -10.1910 4.8310 4.8310 6.0497 6.0497 10.9927 10.9927 11.6713 11.6713 k = 0.0000 0.1213 0.1033 ( 838 PWs) bands (ev): -29.1718 -29.1718 -10.3646 -10.3646 -10.1843 -10.1843 4.9043 4.9043 6.1566 6.1566 10.8618 10.8618 11.6046 11.6046 k = 0.0000 0.1252 0.1033 ( 836 PWs) bands (ev): -29.1674 -29.1674 -10.4011 -10.4011 -10.1777 -10.1777 4.9799 4.9799 6.2656 6.2656 10.7218 10.7218 11.5319 11.5319 k = 0.0000 0.1291 0.1033 ( 840 PWs) bands (ev): -29.1631 -29.1631 -10.4368 -10.4368 -10.1710 -10.1710 5.0576 5.0576 6.3769 6.3769 10.5749 10.5749 11.4535 11.4535 k = 0.0000 0.1330 0.1033 ( 834 PWs) bands (ev): -29.1588 -29.1588 -10.4716 -10.4716 -10.1645 -10.1645 5.1375 5.1375 6.4903 6.4903 10.4224 10.4224 11.3700 11.3700 k = 0.0000 0.1369 0.1033 ( 833 PWs) bands (ev): -29.1547 -29.1547 -10.5053 -10.5053 -10.1582 -10.1582 5.2195 5.2195 6.6058 6.6058 10.2657 10.2657 11.2823 11.2823 k = 0.0000 0.1408 0.1033 ( 833 PWs) bands (ev): -29.1507 -29.1507 -10.5379 -10.5379 -10.1520 -10.1520 5.3035 5.3035 6.7233 6.7233 10.1058 10.1058 11.1913 11.1913 k = 0.0000 0.1447 0.1033 ( 833 PWs) bands (ev): -29.1468 -29.1468 -10.5692 -10.5692 -10.1460 -10.1460 5.3895 5.3895 6.8429 6.8429 9.9436 9.9436 11.0979 11.0979 k = 0.0000 0.1486 0.1033 ( 833 PWs) bands (ev): -29.1430 -29.1430 -10.5992 -10.5992 -10.1402 -10.1402 5.4775 5.4775 6.9643 6.9643 9.7797 9.7797 11.0026 11.0026 k = 0.0000 0.1526 0.1033 ( 833 PWs) bands (ev): -29.1394 -29.1394 -10.6277 -10.6277 -10.1346 -10.1346 5.5674 5.5674 7.0877 7.0877 9.6147 9.6147 10.9061 10.9061 k = 0.0000 0.1565 0.1033 ( 833 PWs) bands (ev): -29.1360 -29.1360 -10.6548 -10.6548 -10.1293 -10.1293 5.6591 5.6591 7.2129 7.2129 9.4493 9.4493 10.8090 10.8090 k = 0.0000 0.1604 0.1033 ( 837 PWs) bands (ev): -29.1328 -29.1328 -10.6803 -10.6803 -10.1243 -10.1243 5.7525 5.7525 7.3399 7.3399 9.2838 9.2838 10.7117 10.7117 k = 0.0000 0.1643 0.1033 ( 836 PWs) bands (ev): -29.1297 -29.1297 -10.7042 -10.7042 -10.1195 -10.1195 5.8474 5.8474 7.4686 7.4686 9.1186 9.1186 10.6146 10.6146 k = 0.0000 0.1682 0.1033 ( 836 PWs) bands (ev): -29.1268 -29.1268 -10.7264 -10.7264 -10.1151 -10.1151 5.9439 5.9439 7.5990 7.5990 8.9542 8.9542 10.5182 10.5182 k = 0.0000 0.1721 0.1033 ( 835 PWs) bands (ev): -29.1242 -29.1242 -10.7468 -10.7468 -10.1110 -10.1110 6.0416 6.0416 7.7310 7.7310 8.7909 8.7909 10.4227 10.4227 k = 0.0000 0.1760 0.1033 ( 839 PWs) bands (ev): -29.1218 -29.1218 -10.7654 -10.7654 -10.1073 -10.1073 6.1403 6.1403 7.8644 7.8644 8.6291 8.6291 10.3284 10.3284 k = 0.0000 0.1799 0.1033 ( 841 PWs) bands (ev): -29.1197 -29.1197 -10.7821 -10.7821 -10.1039 -10.1039 6.2398 6.2398 7.9988 7.9988 8.4694 8.4694 10.2357 10.2357 k = 0.0000 0.1839 0.1033 ( 841 PWs) bands (ev): -29.1177 -29.1177 -10.7970 -10.7970 -10.1009 -10.1009 6.3396 6.3396 8.1320 8.1320 8.3144 8.3144 10.1448 10.1448 k = 0.0000 0.1878 0.1033 ( 841 PWs) bands (ev): -29.1160 -29.1160 -10.8099 -10.8099 -10.0982 -10.0982 6.4392 6.4392 8.1458 8.1458 8.2828 8.2828 10.0561 10.0561 k = 0.0000 0.1917 0.1033 ( 837 PWs) bands (ev): -29.1146 -29.1146 -10.8208 -10.8208 -10.0960 -10.0960 6.5378 6.5378 7.9985 7.9985 8.4168 8.4168 9.9700 9.9700 k = 0.0000 0.1956 0.1033 ( 835 PWs) bands (ev): -29.1134 -29.1134 -10.8298 -10.8298 -10.0941 -10.0941 6.6338 6.6338 7.8515 7.8515 8.5559 8.5559 9.8869 9.8869 k = 0.0000 0.1995 0.1033 ( 836 PWs) bands (ev): -29.1125 -29.1125 -10.8367 -10.8367 -10.0927 -10.0927 6.7250 6.7250 7.7105 7.7105 8.6964 8.6964 9.8073 9.8073 k = 0.0000 0.1995 0.1033 ( 836 PWs) bands (ev): -29.1125 -29.1125 -10.8367 -10.8367 -10.0927 -10.0927 6.7250 6.7250 7.7105 7.7105 8.6964 8.6964 9.8073 9.8073 k = 0.0000 0.2006 0.0999 ( 835 PWs) bands (ev): -29.1123 -29.1123 -10.8383 -10.8383 -10.0924 -10.0924 6.7401 6.7401 7.6984 7.6984 8.7373 8.7373 9.7601 9.7601 k = 0.0000 0.2018 0.0965 ( 835 PWs) bands (ev): -29.1121 -29.1121 -10.8397 -10.8397 -10.0921 -10.0921 6.7524 6.7524 7.6899 7.6899 8.7757 8.7757 9.7157 9.7157 k = 0.0000 0.2029 0.0930 ( 835 PWs) bands (ev): -29.1119 -29.1119 -10.8410 -10.8410 -10.0919 -10.0919 6.7621 6.7621 7.6845 7.6845 8.8110 8.8110 9.6748 9.6748 k = 0.0000 0.2040 0.0896 ( 839 PWs) bands (ev): -29.1118 -29.1118 -10.8421 -10.8421 -10.0917 -10.0917 6.7697 6.7697 7.6816 7.6816 8.8428 8.8428 9.6377 9.6377 k = 0.0000 0.2051 0.0861 ( 841 PWs) bands (ev): -29.1117 -29.1117 -10.8430 -10.8430 -10.0915 -10.0915 6.7753 6.7753 7.6806 7.6806 8.8708 8.8708 9.6051 9.6051 k = 0.0000 0.2063 0.0827 ( 842 PWs) bands (ev): -29.1116 -29.1116 -10.8438 -10.8438 -10.0914 -10.0914 6.7794 6.7794 7.6808 7.6808 8.8944 8.8944 9.5774 9.5774 k = 0.0000 0.2074 0.0792 ( 847 PWs) bands (ev): -29.1115 -29.1115 -10.8444 -10.8444 -10.0913 -10.0913 6.7822 6.7822 7.6816 7.6816 8.9134 8.9134 9.5553 9.5553 k = 0.0000 0.2085 0.0758 ( 845 PWs) bands (ev): -29.1114 -29.1114 -10.8448 -10.8448 -10.0912 -10.0912 6.7840 6.7840 7.6826 7.6826 8.9272 8.9272 9.5390 9.5390 k = 0.0000 0.2096 0.0723 ( 846 PWs) bands (ev): -29.1114 -29.1114 -10.8451 -10.8451 -10.0911 -10.0911 6.7850 6.7850 7.6833 7.6833 8.9356 8.9356 9.5291 9.5291 k = 0.0000 0.2108 0.0689 ( 846 PWs) bands (ev): -29.1114 -29.1114 -10.8452 -10.8452 -10.0911 -10.0911 6.7854 6.7854 7.6836 7.6836 8.9384 8.9384 9.5258 9.5258 k = 0.0000 0.2108 0.0689 ( 846 PWs) bands (ev): -29.1114 -29.1114 -10.8452 -10.8452 -10.0911 -10.0911 6.7854 6.7854 7.6836 7.6836 8.9384 8.9384 9.5258 9.5258 k = 0.0040 0.2108 0.0689 ( 846 PWs) bands (ev): -29.1104 -29.1104 -10.8439 -10.8439 -10.0899 -10.0899 6.7869 6.7869 7.6851 7.6851 8.9398 8.9398 9.5272 9.5272 k = 0.0079 0.2108 0.0689 ( 848 PWs) bands (ev): -29.1074 -29.1074 -10.8400 -10.8400 -10.0861 -10.0861 6.7914 6.7914 7.6895 7.6895 8.9440 8.9440 9.5315 9.5315 k = 0.0119 0.2108 0.0689 ( 848 PWs) bands (ev): -29.1025 -29.1025 -10.8336 -10.8336 -10.0798 -10.0798 6.7989 6.7989 7.6969 7.6969 8.9509 8.9509 9.5385 9.5385 k = 0.0159 0.2108 0.0689 ( 846 PWs) bands (ev): -29.0955 -29.0955 -10.8247 -10.8247 -10.0711 -10.0711 6.8095 6.8095 7.7072 7.7072 8.9606 8.9606 9.5485 9.5485 k = 0.0198 0.2108 0.0689 ( 846 PWs) bands (ev): -29.0865 -29.0865 -10.8131 -10.8131 -10.0598 -10.0598 6.8230 6.8230 7.7205 7.7205 8.9731 8.9731 9.5612 9.5612 k = 0.0238 0.2108 0.0689 ( 848 PWs) bands (ev): -29.0756 -29.0756 -10.7990 -10.7990 -10.0460 -10.0460 6.8396 6.8396 7.7367 7.7367 8.9883 8.9883 9.5768 9.5768 k = 0.0278 0.2108 0.0689 ( 848 PWs) bands (ev): -29.0627 -29.0627 -10.7824 -10.7824 -10.0297 -10.0297 6.8592 6.8592 7.7559 7.7559 9.0062 9.0062 9.5952 9.5952 k = 0.0317 0.2108 0.0689 ( 854 PWs) bands (ev): -29.0478 -29.0478 -10.7632 -10.7632 -10.0109 -10.0109 6.8818 6.8818 7.7781 7.7781 9.0269 9.0269 9.6164 9.6164 k = 0.0357 0.2108 0.0689 ( 846 PWs) bands (ev): -29.0309 -29.0309 -10.7414 -10.7414 -9.9896 -9.9896 6.9074 6.9074 7.8031 7.8031 9.0504 9.0504 9.6405 9.6405 k = 0.0397 0.2108 0.0689 ( 842 PWs) bands (ev): -29.0120 -29.0120 -10.7171 -10.7171 -9.9659 -9.9659 6.9360 6.9360 7.8312 7.8312 9.0765 9.0765 9.6674 9.6674 k = 0.0437 0.2108 0.0689 ( 842 PWs) bands (ev): -28.9911 -28.9911 -10.6902 -10.6902 -9.9396 -9.9396 6.9677 6.9677 7.8622 7.8622 9.1054 9.1054 9.6971 9.6971 k = 0.0476 0.2108 0.0689 ( 842 PWs) bands (ev): -28.9683 -28.9683 -10.6608 -10.6608 -9.9109 -9.9109 7.0023 7.0023 7.8961 7.8961 9.1369 9.1369 9.7297 9.7297 k = 0.0516 0.2108 0.0689 ( 842 PWs) bands (ev): -28.9435 -28.9435 -10.6289 -10.6289 -9.8796 -9.8796 7.0400 7.0400 7.9330 7.9330 9.1711 9.1711 9.7650 9.7650 k = 0.0556 0.2108 0.0689 ( 840 PWs) bands (ev): -28.9167 -28.9167 -10.5944 -10.5944 -9.8459 -9.8459 7.0806 7.0806 7.9728 7.9728 9.2080 9.2080 9.8032 9.8032 k = 0.0595 0.2108 0.0689 ( 840 PWs) bands (ev): -28.8879 -28.8879 -10.5574 -10.5574 -9.8097 -9.8097 7.1243 7.1243 8.0156 8.0156 9.2475 9.2475 9.8442 9.8442 k = 0.0635 0.2108 0.0689 ( 840 PWs) bands (ev): -28.8572 -28.8572 -10.5178 -10.5178 -9.7710 -9.7710 7.1710 7.1710 8.0613 8.0613 9.2895 9.2895 9.8881 9.8881 k = 0.0675 0.2108 0.0689 ( 840 PWs) bands (ev): -28.8245 -28.8245 -10.4758 -10.4758 -9.7299 -9.7299 7.2206 7.2206 8.1099 8.1099 9.3342 9.3342 9.9347 9.9347 k = 0.0714 0.2108 0.0689 ( 838 PWs) bands (ev): -28.7898 -28.7898 -10.4312 -10.4312 -9.6863 -9.6863 7.2733 7.2733 8.1615 8.1615 9.3813 9.3813 9.9842 9.9842 k = 0.0754 0.2108 0.0689 ( 836 PWs) bands (ev): -28.7531 -28.7531 -10.3841 -10.3841 -9.6403 -9.6403 7.3289 7.3289 8.2160 8.2160 9.4309 9.4309 10.0364 10.0364 k = 0.0794 0.2108 0.0689 ( 834 PWs) bands (ev): -28.7145 -28.7145 -10.3344 -10.3344 -9.5918 -9.5918 7.3876 7.3876 8.2735 8.2735 9.4830 9.4830 10.0915 10.0915 k = 0.0833 0.2108 0.0689 ( 832 PWs) bands (ev): -28.6739 -28.6739 -10.2823 -10.2823 -9.5408 -9.5408 7.4492 7.4492 8.3339 8.3339 9.5374 9.5374 10.1494 10.1494 k = 0.0873 0.2108 0.0689 ( 832 PWs) bands (ev): -28.6314 -28.6314 -10.2277 -10.2277 -9.4875 -9.4875 7.5138 7.5138 8.3972 8.3972 9.5941 9.5941 10.2100 10.2100 k = 0.0913 0.2108 0.0689 ( 832 PWs) bands (ev): -28.5869 -28.5869 -10.1706 -10.1706 -9.4317 -9.4317 7.5814 7.5814 8.4635 8.4635 9.6529 9.6529 10.2735 10.2735 k = 0.0952 0.2108 0.0689 ( 830 PWs) bands (ev): -28.5404 -28.5404 -10.1110 -10.1110 -9.3735 -9.3735 7.6520 7.6520 8.5327 8.5327 9.7139 9.7139 10.3398 10.3398 k = 0.0992 0.2108 0.0689 ( 834 PWs) bands (ev): -28.4920 -28.4920 -10.0489 -10.0489 -9.3128 -9.3128 7.7255 7.7255 8.6048 8.6048 9.7768 9.7768 10.4088 10.4088 k = 0.1032 0.2108 0.0689 ( 834 PWs) bands (ev): -28.4417 -28.4417 -9.9844 -9.9844 -9.2498 -9.2498 7.8020 7.8020 8.6799 8.6799 9.8416 9.8416 10.4806 10.4806 k = 0.1071 0.2108 0.0689 ( 832 PWs) bands (ev): -28.3894 -28.3894 -9.9174 -9.9174 -9.1844 -9.1844 7.8814 7.8814 8.7578 8.7578 9.9080 9.9080 10.5552 10.5552 k = 0.1111 0.2108 0.0689 ( 830 PWs) bands (ev): -28.3351 -28.3351 -9.8480 -9.8480 -9.1166 -9.1166 7.9638 7.9638 8.8387 8.8387 9.9758 9.9758 10.6326 10.6326 k = 0.1151 0.2108 0.0689 ( 830 PWs) bands (ev): -28.2790 -28.2790 -9.7761 -9.7761 -9.0464 -9.0464 8.0490 8.0490 8.9225 8.9225 10.0447 10.0447 10.7127 10.7127 k = 0.1190 0.2108 0.0689 ( 828 PWs) bands (ev): -28.2209 -28.2209 -9.7018 -9.7018 -8.9738 -8.9738 8.1372 8.1372 9.0092 9.0092 10.1144 10.1144 10.7956 10.7956 k = 0.1230 0.2108 0.0689 ( 830 PWs) bands (ev): -28.1609 -28.1609 -9.6251 -9.6251 -8.8990 -8.8990 8.2282 8.2282 9.0989 9.0989 10.1845 10.1845 10.8813 10.8813 k = 0.1270 0.2108 0.0689 ( 830 PWs) bands (ev): -28.0990 -28.0990 -9.5459 -9.5459 -8.8217 -8.8217 8.3220 8.3220 9.1914 9.1914 10.2544 10.2544 10.9697 10.9697 k = 0.1310 0.2108 0.0689 ( 834 PWs) bands (ev): -28.0351 -28.0351 -9.4644 -9.4644 -8.7422 -8.7422 8.4187 8.4187 9.2868 9.2868 10.3234 10.3234 11.0609 11.0609 k = 0.1349 0.2108 0.0689 ( 834 PWs) bands (ev): -27.9693 -27.9693 -9.3805 -9.3805 -8.6603 -8.6603 8.5180 8.5180 9.3852 9.3852 10.3907 10.3907 11.1548 11.1548 k = 0.1389 0.2108 0.0689 ( 834 PWs) bands (ev): -27.9017 -27.9017 -9.2942 -9.2942 -8.5761 -8.5761 8.6200 8.6200 9.4864 9.4864 10.4551 10.4551 11.2514 11.2514 k = 0.1429 0.2108 0.0689 ( 836 PWs) bands (ev): -27.8321 -27.8321 -9.2056 -9.2056 -8.4897 -8.4897 8.7246 8.7246 9.5905 9.5905 10.5152 10.5152 11.3507 11.3507 k = 0.1468 0.2108 0.0689 ( 834 PWs) bands (ev): -27.7606 -27.7606 -9.1146 -9.1146 -8.4009 -8.4009 8.8316 8.8316 9.6975 9.6975 10.5689 10.5689 11.4528 11.4528 k = 0.1508 0.2108 0.0689 ( 834 PWs) bands (ev): -27.6873 -27.6873 -9.0213 -9.0213 -8.3100 -8.3100 8.9408 8.9408 9.8074 9.8074 10.6139 10.6139 11.5576 11.5576 k = 0.1548 0.2108 0.0689 ( 834 PWs) bands (ev): -27.6120 -27.6120 -8.9257 -8.9257 -8.2167 -8.2167 9.0519 9.0519 9.9202 9.9202 10.6471 10.6471 11.6651 11.6651 k = 0.1587 0.2108 0.0689 ( 834 PWs) bands (ev): -27.5349 -27.5349 -8.8277 -8.8277 -8.1213 -8.1213 9.1643 9.1643 10.0358 10.0358 10.6651 10.6651 11.7752 11.7753 k = 0.1627 0.2108 0.0689 ( 836 PWs) bands (ev): -27.4559 -27.4559 -8.7275 -8.7275 -8.0236 -8.0236 9.2774 9.2774 10.1543 10.1543 10.6641 10.6641 11.8881 11.8881 k = 0.1667 0.2108 0.0689 ( 834 PWs) bands (ev): -27.3751 -27.3751 -8.6251 -8.6251 -7.9238 -7.9238 9.3897 9.3897 10.2756 10.2756 10.6412 10.6412 12.0036 12.0036 k = 0.1706 0.2108 0.0689 ( 830 PWs) bands (ev): -27.2923 -27.2923 -8.5203 -8.5203 -7.8218 -7.8218 9.4986 9.4986 10.3998 10.3998 10.5955 10.5955 12.1218 12.1218 k = 0.1746 0.2108 0.0689 ( 830 PWs) bands (ev): -27.2077 -27.2077 -8.4134 -8.4134 -7.7176 -7.7176 9.5988 9.5988 10.5245 10.5245 10.5329 10.5329 12.2427 12.2427 k = 0.1786 0.2108 0.0689 ( 830 PWs) bands (ev): -27.1213 -27.1213 -8.3042 -8.3042 -7.6113 -7.6113 9.6788 9.6788 10.4583 10.4583 10.6569 10.6569 12.3661 12.3661 k = 0.1825 0.2108 0.0689 ( 830 PWs) bands (ev): -27.0331 -27.0331 -8.1929 -8.1929 -7.5030 -7.5030 9.7158 9.7158 10.4045 10.4045 10.7896 10.7896 12.4923 12.4923 k = 0.1865 0.2108 0.0689 ( 832 PWs) bands (ev): -26.9430 -26.9430 -8.0794 -8.0794 -7.3925 -7.3925 9.6805 9.6805 10.4018 10.4018 10.9251 10.9251 12.6210 12.6210 k = 0.1905 0.2108 0.0689 ( 830 PWs) bands (ev): -26.8512 -26.8512 -7.9637 -7.9637 -7.2799 -7.2799 9.5683 9.5683 10.4591 10.4591 11.0634 11.0634 12.7523 12.7524 k = 0.1944 0.2108 0.0689 ( 830 PWs) bands (ev): -26.7575 -26.7575 -7.8459 -7.8459 -7.1654 -7.1654 9.4020 9.4020 10.5571 10.5571 11.2046 11.2046 12.8863 12.8863 k = 0.1984 0.2108 0.0689 ( 830 PWs) bands (ev): -26.6620 -26.6620 -7.7261 -7.7261 -7.0488 -7.0488 9.2025 9.2025 10.6782 10.6782 11.3485 11.3485 13.0228 13.0228 k = 0.2024 0.2108 0.0689 ( 832 PWs) bands (ev): -26.5648 -26.5648 -7.6041 -7.6041 -6.9302 -6.9302 8.9819 8.9819 10.8126 10.8126 11.4952 11.4952 13.1619 13.1619 k = 0.2063 0.2108 0.0689 ( 834 PWs) bands (ev): -26.4657 -26.4657 -7.4801 -7.4801 -6.8097 -6.8097 8.7468 8.7468 10.9560 10.9560 11.6447 11.6447 13.3035 13.3035 k = 0.2103 0.2108 0.0689 ( 830 PWs) bands (ev): -26.3649 -26.3649 -7.3541 -7.3541 -6.6873 -6.6873 8.5015 8.5015 11.1058 11.1058 11.7969 11.7969 13.4477 13.4477 k = 0.2143 0.2108 0.0689 ( 830 PWs) bands (ev): -26.2623 -26.2623 -7.2261 -7.2261 -6.5630 -6.5630 8.2482 8.2482 11.2610 11.2610 11.9519 11.9519 13.5944 13.5944 k = 0.2183 0.2108 0.0689 ( 830 PWs) bands (ev): -26.1580 -26.1580 -7.0961 -7.0961 -6.4368 -6.4368 7.9887 7.9887 11.4207 11.4207 12.1096 12.1096 13.7435 13.7435 k = 0.2222 0.2108 0.0689 ( 828 PWs) bands (ev): -26.0520 -26.0520 -6.9642 -6.9642 -6.3088 -6.3088 7.7243 7.7243 11.5845 11.5845 12.2700 12.2700 13.8952 13.8952 k = 0.2262 0.2108 0.0689 ( 822 PWs) bands (ev): -25.9442 -25.9442 -6.8304 -6.8304 -6.1789 -6.1789 7.4560 7.4560 11.7521 11.7521 12.4331 12.4331 14.0493 14.0494 k = 0.2302 0.2108 0.0689 ( 822 PWs) bands (ev): -25.8348 -25.8348 -6.6948 -6.6948 -6.0474 -6.0474 7.1843 7.1843 11.9233 11.9233 12.5989 12.5989 14.2059 14.2059 k = 0.2341 0.2108 0.0689 ( 822 PWs) bands (ev): -25.7236 -25.7236 -6.5573 -6.5573 -5.9141 -5.9141 6.9099 6.9099 12.0980 12.0980 12.7673 12.7673 14.3649 14.3649 k = 0.2381 0.2108 0.0689 ( 820 PWs) bands (ev): -25.6108 -25.6108 -6.4181 -6.4181 -5.7791 -5.7791 6.6334 6.6334 12.2761 12.2761 12.9383 12.9383 14.5263 14.5263 k = 0.2421 0.2108 0.0689 ( 820 PWs) bands (ev): -25.4963 -25.4963 -6.2771 -6.2771 -5.6424 -5.6424 6.3551 6.3551 12.4575 12.4575 13.1120 13.1120 14.6900 14.6900 k = 0.2460 0.2108 0.0689 ( 822 PWs) bands (ev): -25.3802 -25.3802 -6.1344 -6.1344 -5.5042 -5.5042 6.0752 6.0752 12.6421 12.6421 13.2882 13.2882 14.8561 14.8561 k = 0.2500 0.2108 0.0689 ( 820 PWs) bands (ev): -25.2625 -25.2625 -5.9900 -5.9900 -5.3645 -5.3645 5.7942 5.7942 12.8300 12.8300 13.4670 13.4670 15.0246 15.0246 k = 0.2540 0.2108 0.0689 ( 820 PWs) bands (ev): -25.1431 -25.1431 -5.8440 -5.8440 -5.2232 -5.2232 5.5123 5.5123 13.0210 13.0210 13.6483 13.6483 15.1953 15.1953 k = 0.2579 0.2108 0.0689 ( 822 PWs) bands (ev): -25.0222 -25.0222 -5.6965 -5.6965 -5.0805 -5.0805 5.2295 5.2295 13.2152 13.2152 13.8321 13.8321 15.3683 15.3683 k = 0.2619 0.2108 0.0689 ( 822 PWs) bands (ev): -24.8997 -24.8997 -5.5474 -5.5474 -4.9363 -4.9363 4.9463 4.9463 13.4125 13.4125 14.0184 14.0184 15.5436 15.5436 k = 0.2659 0.2108 0.0689 ( 824 PWs) bands (ev): -24.7756 -24.7756 -5.3969 -5.3969 -4.7908 -4.7908 4.6627 4.6627 13.6130 13.6130 14.2071 14.2071 15.7211 15.7211 k = 0.2698 0.2108 0.0689 ( 826 PWs) bands (ev): -24.6500 -24.6500 -5.2449 -5.2449 -4.6441 -4.6441 4.3789 4.3789 13.8165 13.8165 14.3981 14.3981 15.9008 15.9008 k = 0.2738 0.2108 0.0689 ( 824 PWs) bands (ev): -24.5229 -24.5229 -5.0916 -5.0916 -4.4960 -4.4960 4.0951 4.0951 14.0231 14.0231 14.5915 14.5915 16.0826 16.0826 k = 0.2778 0.2108 0.0689 ( 824 PWs) bands (ev): -24.3943 -24.3943 -4.9370 -4.9370 -4.3468 -4.3468 3.8114 3.8114 14.2329 14.2329 14.7871 14.7871 16.2666 16.2666 k = 0.2817 0.2108 0.0689 ( 824 PWs) bands (ev): -24.2643 -24.2643 -4.7812 -4.7812 -4.1965 -4.1965 3.5279 3.5279 14.4457 14.4457 14.9850 14.9850 16.4526 16.4527 k = 0.2857 0.2108 0.0689 ( 820 PWs) bands (ev): -24.1327 -24.1327 -4.6241 -4.6241 -4.0451 -4.0451 3.2448 3.2448 14.6616 14.6616 15.1850 15.1850 16.6408 16.6408 k = 0.2897 0.2108 0.0689 ( 816 PWs) bands (ev): -23.9999 -23.9999 -4.4660 -4.4660 -3.8926 -3.8926 2.9622 2.9622 14.8805 14.8805 15.3872 15.3872 16.8310 16.8310 k = 0.2937 0.2108 0.0689 ( 816 PWs) bands (ev): -23.8657 -23.8657 -4.3068 -4.3068 -3.7394 -3.7394 2.6800 2.6800 15.1025 15.1025 15.5913 15.5913 17.0231 17.0231 k = 0.2976 0.2108 0.0689 ( 816 PWs) bands (ev): -23.7301 -23.7301 -4.1467 -4.1467 -3.5853 -3.5853 2.3986 2.3986 15.3275 15.3275 15.7974 15.7974 17.2172 17.2172 k = 0.3016 0.2108 0.0689 ( 814 PWs) bands (ev): -23.5932 -23.5932 -3.9857 -3.9857 -3.4304 -3.4304 2.1179 2.1179 15.5556 15.5556 16.0053 16.0053 17.4133 17.4133 k = 0.3056 0.2108 0.0689 ( 812 PWs) bands (ev): -23.4551 -23.4551 -3.8238 -3.8238 -3.2748 -3.2748 1.8381 1.8381 15.7868 15.7868 16.2149 16.2149 17.6112 17.6112 k = 0.3095 0.2108 0.0689 ( 818 PWs) bands (ev): -23.3157 -23.3157 -3.6613 -3.6613 -3.1187 -3.1187 1.5591 1.5591 16.0210 16.0210 16.4262 16.4262 17.8109 17.8109 k = 0.3135 0.2108 0.0689 ( 818 PWs) bands (ev): -23.1751 -23.1751 -3.4981 -3.4981 -2.9620 -2.9620 1.2813 1.2813 16.2582 16.2582 16.6389 16.6389 18.0126 18.0126 k = 0.3175 0.2108 0.0689 ( 816 PWs) bands (ev): -23.0334 -23.0334 -3.3344 -3.3344 -2.8049 -2.8049 1.0047 1.0047 16.4985 16.4985 16.8531 16.8531 18.2159 18.2159 k = 0.3214 0.2108 0.0689 ( 816 PWs) bands (ev): -22.8906 -22.8906 -3.1703 -3.1703 -2.6476 -2.6476 0.7294 0.7294 16.7418 16.7418 17.0684 17.0684 18.4211 18.4211 k = 0.3254 0.2108 0.0689 ( 816 PWs) bands (ev): -22.7467 -22.7467 -3.0058 -3.0058 -2.4900 -2.4900 0.4554 0.4554 16.9881 16.9881 17.2848 17.2848 18.6279 18.6279 k = 0.3294 0.2108 0.0689 ( 816 PWs) bands (ev): -22.6019 -22.6019 -2.8411 -2.8411 -2.3324 -2.3324 0.1828 0.1828 17.2375 17.2375 17.5021 17.5021 18.8365 18.8365 k = 0.3333 0.2108 0.0689 ( 816 PWs) bands (ev): -22.4561 -22.4561 -2.6763 -2.6763 -2.1747 -2.1747 -0.0882 -0.0882 17.4899 17.4899 17.7200 17.7200 19.0467 19.0467 k = 0.3373 0.2108 0.0689 ( 818 PWs) bands (ev): -22.3094 -22.3094 -2.5115 -2.5115 -2.0172 -2.0172 -0.3577 -0.3577 17.7453 17.7453 17.9383 17.9383 19.2586 19.2586 k = 0.3413 0.2108 0.0689 ( 818 PWs) bands (ev): -22.1619 -22.1619 -2.3468 -2.3468 -1.8599 -1.8599 -0.6253 -0.6253 18.0038 18.0038 18.1568 18.1568 19.4721 19.4721 k = 0.3452 0.2108 0.0689 ( 818 PWs) bands (ev): -22.0136 -22.0136 -2.1823 -2.1823 -1.7030 -1.7030 -0.8911 -0.8911 18.2653 18.2653 18.3752 18.3752 19.6871 19.6871 k = 0.3492 0.2108 0.0689 ( 816 PWs) bands (ev): -21.8647 -21.8647 -2.0183 -2.0183 -1.5467 -1.5467 -1.1547 -1.1547 18.5298 18.5298 18.5932 18.5932 19.9038 19.9038 k = 0.3532 0.2108 0.0689 ( 814 PWs) bands (ev): -21.7151 -21.7151 -1.8548 -1.8548 -1.4208 -1.4208 -1.3865 -1.3865 18.7973 18.7973 18.8105 18.8105 20.1219 20.1219 k = 0.3571 0.2108 0.0689 ( 810 PWs) bands (ev): -21.5650 -21.5650 -1.6978 -1.6978 -1.6707 -1.6707 -1.2353 -1.2353 19.0267 19.0267 19.0678 19.0678 20.3416 20.3416 k = 0.3611 0.2108 0.0689 ( 810 PWs) bands (ev): -21.4145 -21.4145 -1.9343 -1.9343 -1.5292 -1.5292 -1.0813 -1.0813 19.2414 19.2414 19.3414 19.3414 20.5628 20.5628 k = 0.3651 0.2108 0.0689 ( 810 PWs) bands (ev): -21.2638 -21.2638 -2.1890 -2.1890 -1.3683 -1.3683 -0.9283 -0.9283 19.4543 19.4543 19.6179 19.6179 20.7853 20.7853 k = 0.3690 0.2108 0.0689 ( 810 PWs) bands (ev): -21.1127 -21.1127 -2.4413 -2.4413 -1.2084 -1.2084 -0.7765 -0.7765 19.6649 19.6649 19.8975 19.8975 21.0092 21.0092 k = 0.3730 0.2108 0.0689 ( 814 PWs) bands (ev): -20.9616 -20.9616 -2.6910 -2.6910 -1.0497 -1.0497 -0.6261 -0.6261 19.8728 19.8728 20.1801 20.1801 21.2344 21.2344 k = 0.3770 0.2108 0.0689 ( 814 PWs) bands (ev): -20.8105 -20.8105 -2.9378 -2.9378 -0.8926 -0.8926 -0.4772 -0.4772 20.0774 20.0774 20.4657 20.4657 21.4606 21.4606 k = 0.3810 0.2108 0.0689 ( 812 PWs) bands (ev): -20.6596 -20.6596 -3.1815 -3.1815 -0.7371 -0.7371 -0.3301 -0.3301 20.2785 20.2785 20.7543 20.7543 21.6878 21.6878 k = 0.3849 0.2108 0.0689 ( 812 PWs) bands (ev): -20.5089 -20.5089 -3.4222 -3.4222 -0.5834 -0.5834 -0.1849 -0.1849 20.4753 20.4753 21.0460 21.0460 21.9158 21.9158 k = 0.3889 0.2108 0.0689 ( 814 PWs) bands (ev): -20.3587 -20.3587 -3.6595 -3.6595 -0.4319 -0.4319 -0.0418 -0.0418 20.6676 20.6676 21.3406 21.3406 22.1441 22.1441 k = 0.3929 0.2108 0.0689 ( 814 PWs) bands (ev): -20.2091 -20.2091 -3.8933 -3.8933 -0.2826 -0.2826 0.0991 0.0991 20.8548 20.8548 21.6382 21.6382 22.3726 22.3726 k = 0.3968 0.2108 0.0689 ( 812 PWs) bands (ev): -20.0604 -20.0604 -4.1233 -4.1233 -0.1357 -0.1357 0.2375 0.2375 21.0363 21.0363 21.9389 21.9389 22.6007 22.6007 k = 0.4008 0.2108 0.0689 ( 812 PWs) bands (ev): -19.9126 -19.9126 -4.3494 -4.3494 0.0084 0.0084 0.3732 0.3732 21.2119 21.2119 22.2425 22.2425 22.8279 22.8279 k = 0.4048 0.2108 0.0689 ( 808 PWs) bands (ev): -19.7661 -19.7661 -4.5714 -4.5714 0.1498 0.1498 0.5060 0.5060 21.3810 21.3810 22.5491 22.5491 23.0535 23.0535 k = 0.4087 0.2108 0.0689 ( 806 PWs) bands (ev): -19.6210 -19.6210 -4.7889 -4.7889 0.2878 0.2878 0.6357 0.6357 21.5432 21.5432 22.8587 22.8587 23.2769 23.2769 k = 0.4127 0.2108 0.0689 ( 806 PWs) bands (ev): -19.4776 -19.4776 -5.0017 -5.0017 0.4225 0.4225 0.7621 0.7621 21.6981 21.6981 23.1713 23.1713 23.4971 23.4971 k = 0.4167 0.2108 0.0689 ( 806 PWs) bands (ev): -19.3362 -19.3362 -5.2096 -5.2096 0.5536 0.5536 0.8849 0.8849 21.8454 21.8454 23.4869 23.4869 23.7132 23.7132 k = 0.4206 0.2108 0.0689 ( 802 PWs) bands (ev): -19.1970 -19.1970 -5.4122 -5.4122 0.6808 0.6808 1.0039 1.0039 21.9848 21.9848 23.8054 23.8054 23.9240 23.9240 k = 0.4246 0.2108 0.0689 ( 800 PWs) bands (ev): -19.0605 -19.0605 -5.6091 -5.6091 0.8039 0.8039 1.1191 1.1191 22.1161 22.1161 24.1269 24.1269 24.1283 24.1283 k = 0.4286 0.2108 0.0689 ( 802 PWs) bands (ev): -18.9268 -18.9268 -5.8002 -5.8002 0.9227 0.9227 1.2300 1.2300 22.2389 22.2389 24.3245 24.3245 24.4515 24.4515 k = 0.4325 0.2108 0.0689 ( 802 PWs) bands (ev): -18.7965 -18.7965 -5.9848 -5.9848 1.0368 1.0368 1.3365 1.3365 22.3533 22.3533 24.5116 24.5116 24.7789 24.7789 k = 0.4365 0.2108 0.0689 ( 804 PWs) bands (ev): -18.6698 -18.6698 -6.1628 -6.1628 1.1461 1.1461 1.4383 1.4383 22.4591 22.4591 24.6879 24.6879 25.1093 25.1093 k = 0.4405 0.2108 0.0689 ( 806 PWs) bands (ev): -18.5473 -18.5473 -6.3336 -6.3336 1.2503 1.2503 1.5353 1.5353 22.5564 22.5564 24.8522 24.8522 25.4427 25.4427 k = 0.4444 0.2108 0.0689 ( 806 PWs) bands (ev): -18.4292 -18.4292 -6.4968 -6.4968 1.3491 1.3491 1.6273 1.6273 22.6452 22.6452 25.0034 25.0034 25.7790 25.7790 k = 0.4484 0.2108 0.0689 ( 808 PWs) bands (ev): -18.3162 -18.3162 -6.6519 -6.6519 1.4424 1.4424 1.7139 1.7139 22.7256 22.7256 25.1405 25.1405 26.1182 26.1182 k = 0.4524 0.2108 0.0689 ( 812 PWs) bands (ev): -18.2086 -18.2086 -6.7985 -6.7985 1.5298 1.5298 1.7951 1.7951 22.7979 22.7979 25.2632 25.2632 26.4603 26.4603 k = 0.4563 0.2108 0.0689 ( 812 PWs) bands (ev): -18.1071 -18.1071 -6.9360 -6.9360 1.6112 1.6112 1.8706 1.8706 22.8624 22.8624 25.3712 25.3712 26.8053 26.8053 k = 0.4603 0.2108 0.0689 ( 812 PWs) bands (ev): -18.0120 -18.0120 -7.0639 -7.0639 1.6863 1.6863 1.9402 1.9402 22.9194 22.9194 25.4648 25.4648 27.1531 27.1531 k = 0.4643 0.2108 0.0689 ( 808 PWs) bands (ev): -17.9239 -17.9239 -7.1816 -7.1816 1.7550 1.7550 2.0038 2.0038 22.9693 22.9693 25.5448 25.5448 27.5038 27.5038 k = 0.4683 0.2108 0.0689 ( 812 PWs) bands (ev): -17.8433 -17.8433 -7.2888 -7.2888 1.8169 1.8169 2.0611 2.0611 23.0123 23.0123 25.6119 25.6119 27.8573 27.8573 k = 0.4722 0.2108 0.0689 ( 810 PWs) bands (ev): -17.7708 -17.7708 -7.3847 -7.3847 1.8720 1.8720 2.1121 2.1121 23.0491 23.0491 25.6675 25.6675 28.2134 28.2134 k = 0.4762 0.2108 0.0689 ( 808 PWs) bands (ev): -17.7068 -17.7068 -7.4691 -7.4691 1.9202 1.9202 2.1566 2.1566 23.0801 23.0801 25.7127 25.7127 28.5722 28.5722 k = 0.4802 0.2108 0.0689 ( 812 PWs) bands (ev): -17.6518 -17.6518 -7.5413 -7.5413 1.9612 1.9612 2.1945 2.1945 23.1054 23.1054 25.7485 25.7485 28.9335 28.9335 k = 0.4841 0.2108 0.0689 ( 812 PWs) bands (ev): -17.6062 -17.6062 -7.6011 -7.6011 1.9949 1.9949 2.2256 2.2256 23.1257 23.1257 25.7762 25.7762 29.2969 29.2970 k = 0.4881 0.2108 0.0689 ( 812 PWs) bands (ev): -17.5703 -17.5703 -7.6479 -7.6479 2.0212 2.0212 2.2499 2.2499 23.1411 23.1411 25.7967 25.7967 29.6623 29.6623 k = 0.4921 0.2108 0.0689 ( 808 PWs) bands (ev): -17.5444 -17.5444 -7.6816 -7.6816 2.0401 2.0401 2.2673 2.2673 23.1520 23.1520 25.8108 25.8108 30.0286 30.0286 k = 0.4960 0.2108 0.0689 ( 810 PWs) bands (ev): -17.5288 -17.5288 -7.7019 -7.7019 2.0514 2.0514 2.2778 2.2778 23.1584 23.1584 25.8190 25.8190 30.3941 30.3941 k = 0.5000 0.2108 0.0689 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7087 -7.7087 2.0552 2.0552 2.2813 2.2813 23.1605 23.1605 25.8217 25.8217 30.7007 30.7007 k = 0.5000 0.2108 0.0689 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7087 -7.7087 2.0552 2.0552 2.2813 2.2813 23.1605 23.1605 25.8217 25.8217 30.7007 30.7008 k = 0.5000 0.2119 0.0654 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7087 -7.7087 2.0552 2.0552 2.2813 2.2813 23.1607 23.1607 25.8215 25.8215 30.7008 30.7008 k = 0.5000 0.2130 0.0620 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7087 -7.7087 2.0553 2.0553 2.2813 2.2813 23.1611 23.1611 25.8208 25.8208 30.7006 30.7006 k = 0.5000 0.2141 0.0585 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7088 -7.7088 2.0554 2.0554 2.2812 2.2812 23.1618 23.1618 25.8198 25.8198 30.6986 30.6987 k = 0.5000 0.2153 0.0551 ( 806 PWs) bands (ev): -17.5236 -17.5236 -7.7088 -7.7088 2.0557 2.0557 2.2813 2.2813 23.1628 23.1628 25.8184 25.8184 30.6919 30.6919 k = 0.5000 0.2164 0.0516 ( 806 PWs) bands (ev): -17.5237 -17.5237 -7.7089 -7.7089 2.0559 2.0559 2.2812 2.2812 23.1641 23.1641 25.8166 25.8166 30.6791 30.6791 k = 0.5000 0.2175 0.0482 ( 806 PWs) bands (ev): -17.5237 -17.5237 -7.7090 -7.7090 2.0563 2.0563 2.2812 2.2812 23.1656 23.1656 25.8144 25.8144 30.6612 30.6612 k = 0.5000 0.2187 0.0447 ( 804 PWs) bands (ev): -17.5237 -17.5237 -7.7092 -7.7092 2.0566 2.0566 2.2812 2.2812 23.1675 23.1675 25.8120 25.8120 30.6387 30.6387 k = 0.5000 0.2198 0.0413 ( 802 PWs) bands (ev): -17.5237 -17.5237 -7.7093 -7.7093 2.0571 2.0571 2.2812 2.2812 23.1696 23.1696 25.8093 25.8093 30.6122 30.6122 k = 0.5000 0.2209 0.0379 ( 800 PWs) bands (ev): -17.5238 -17.5238 -7.7095 -7.7095 2.0576 2.0576 2.2811 2.2811 23.1720 23.1720 25.8064 25.8064 30.5820 30.5820 k = 0.5000 0.2220 0.0344 ( 804 PWs) bands (ev): -17.5238 -17.5238 -7.7097 -7.7097 2.0581 2.0581 2.2810 2.2810 23.1746 23.1746 25.8032 25.8032 30.5481 30.5481 k = 0.5000 0.2220 0.0344 ( 804 PWs) bands (ev): -17.5238 -17.5238 -7.7097 -7.7097 2.0581 2.0581 2.2810 2.2810 23.1746 23.1746 25.8032 25.8032 30.5481 30.5481 k = 0.5000 0.2214 0.0306 ( 804 PWs) bands (ev): -17.5238 -17.5238 -7.7096 -7.7096 2.0579 2.0579 2.2810 2.2810 23.1725 23.1725 25.8091 25.8091 30.5499 30.5499 k = 0.5000 0.2208 0.0268 ( 808 PWs) bands (ev): -17.5238 -17.5238 -7.7095 -7.7095 2.0575 2.0575 2.2810 2.2810 23.1703 23.1703 25.8153 25.8153 30.5440 30.5440 k = 0.5000 0.2202 0.0229 ( 808 PWs) bands (ev): -17.5238 -17.5238 -7.7094 -7.7094 2.0573 2.0573 2.2810 2.2810 23.1683 23.1683 25.8220 25.8220 30.5332 30.5332 k = 0.5000 0.2195 0.0191 ( 806 PWs) bands (ev): -17.5237 -17.5237 -7.7093 -7.7093 2.0570 2.0570 2.2811 2.2811 23.1662 23.1662 25.8288 25.8288 30.5197 30.5197 k = 0.5000 0.2189 0.0153 ( 808 PWs) bands (ev): -17.5237 -17.5237 -7.7092 -7.7092 2.0568 2.0568 2.2811 2.2811 23.1643 23.1643 25.8358 25.8358 30.5051 30.5051 k = 0.5000 0.2183 0.0114 ( 806 PWs) bands (ev): -17.5237 -17.5237 -7.7091 -7.7091 2.0566 2.0566 2.2811 2.2811 23.1624 23.1624 25.8428 25.8428 30.4903 30.4903 k = 0.5000 0.2177 0.0076 ( 806 PWs) bands (ev): -17.5237 -17.5237 -7.7090 -7.7090 2.0564 2.0564 2.2811 2.2811 23.1606 23.1606 25.8499 25.8499 30.4758 30.4758 k = 0.5000 0.2170 0.0038 ( 806 PWs) bands (ev): -17.5237 -17.5237 -7.7090 -7.7090 2.0562 2.0562 2.2812 2.2812 23.1590 23.1590 25.8568 25.8568 30.4621 30.4621 k = 0.5000 0.2164-0.0000 ( 806 PWs) bands (ev): -17.5236 -17.5236 -7.7089 -7.7089 2.0560 2.0560 2.2812 2.2812 23.1574 23.1574 25.8634 25.8634 30.4494 30.4494 k = 0.5000 0.2158-0.0039 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7089 -7.7089 2.0559 2.0559 2.2812 2.2812 23.1560 23.1560 25.8695 25.8695 30.4377 30.4378 k = 0.5000 0.2151-0.0077 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7088 -7.7088 2.0558 2.0558 2.2812 2.2812 23.1547 23.1547 25.8753 25.8753 30.4273 30.4273 k = 0.5000 0.2145-0.0115 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7088 -7.7088 2.0557 2.0557 2.2812 2.2812 23.1536 23.1536 25.8806 25.8806 30.4182 30.4182 k = 0.5000 0.2139-0.0153 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7087 -7.7087 2.0556 2.0556 2.2812 2.2812 23.1526 23.1526 25.8852 25.8852 30.4104 30.4104 k = 0.5000 0.2133-0.0192 ( 806 PWs) bands (ev): -17.5236 -17.5236 -7.7087 -7.7087 2.0555 2.0555 2.2813 2.2813 23.1518 23.1518 25.8893 25.8893 30.4040 30.4040 k = 0.5000 0.2126-0.0230 ( 806 PWs) bands (ev): -17.5236 -17.5236 -7.7087 -7.7087 2.0554 2.0554 2.2813 2.2813 23.1512 23.1512 25.8924 25.8924 30.3990 30.3990 k = 0.5000 0.2120-0.0268 ( 806 PWs) bands (ev): -17.5236 -17.5236 -7.7087 -7.7087 2.0553 2.0553 2.2814 2.2814 23.1507 23.1507 25.8946 25.8946 30.3954 30.3954 k = 0.5000 0.2114-0.0306 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7087 -7.7087 2.0553 2.0553 2.2813 2.2813 23.1504 23.1504 25.8960 25.8960 30.3932 30.3933 k = 0.5000 0.2108-0.0345 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7087 -7.7087 2.0553 2.0553 2.2813 2.2813 23.1503 23.1503 25.8964 25.8964 30.3925 30.3925 k = 0.5000 0.2108-0.0345 ( 808 PWs) bands (ev): -17.5236 -17.5236 -7.7087 -7.7087 2.0553 2.0553 2.2813 2.2813 23.1503 23.1503 25.8964 25.8964 30.3925 30.3925 k = 0.4960 0.2108-0.0345 ( 810 PWs) bands (ev): -17.5288 -17.5288 -7.7019 -7.7019 2.0515 2.0515 2.2778 2.2778 23.1480 23.1480 25.8949 25.8949 30.2979 30.2979 k = 0.4921 0.2108-0.0345 ( 812 PWs) bands (ev): -17.5444 -17.5444 -7.6816 -7.6816 2.0402 2.0402 2.2673 2.2673 23.1410 23.1410 25.8905 25.8905 29.9632 29.9632 k = 0.4881 0.2108-0.0345 ( 810 PWs) bands (ev): -17.5703 -17.5703 -7.6479 -7.6479 2.0213 2.0213 2.2499 2.2499 23.1293 23.1293 25.8827 25.8827 29.6121 29.6121 k = 0.4841 0.2108-0.0345 ( 808 PWs) bands (ev): -17.6061 -17.6061 -7.6011 -7.6011 1.9950 1.9950 2.2257 2.2257 23.1125 23.1125 25.8712 25.8712 29.2574 29.2574 k = 0.4802 0.2108-0.0345 ( 810 PWs) bands (ev): -17.6518 -17.6518 -7.5413 -7.5413 1.9613 1.9613 2.1946 2.1946 23.0905 23.0905 25.8554 25.8554 28.9024 28.9025 k = 0.4762 0.2108-0.0345 ( 816 PWs) bands (ev): -17.7068 -17.7068 -7.4691 -7.4691 1.9203 1.9203 2.1566 2.1566 23.0628 23.0628 25.8347 25.8347 28.5487 28.5487 k = 0.4722 0.2108-0.0345 ( 820 PWs) bands (ev): -17.7708 -17.7708 -7.3848 -7.3848 1.8721 1.8721 2.1121 2.1121 23.0290 23.0290 25.8081 25.8081 28.1966 28.1966 k = 0.4683 0.2108-0.0345 ( 820 PWs) bands (ev): -17.8433 -17.8433 -7.2888 -7.2888 1.8169 1.8169 2.0611 2.0611 22.9888 22.9888 25.7748 25.7748 27.8467 27.8467 k = 0.4643 0.2108-0.0345 ( 820 PWs) bands (ev): -17.9239 -17.9239 -7.1817 -7.1817 1.7549 1.7549 2.0037 2.0037 22.9416 22.9416 25.7337 25.7337 27.4990 27.4990 k = 0.4603 0.2108-0.0345 ( 818 PWs) bands (ev): -18.0120 -18.0120 -7.0639 -7.0639 1.6863 1.6863 1.9401 1.9401 22.8870 22.8870 25.6837 25.6837 27.1539 27.1539 k = 0.4563 0.2108-0.0345 ( 814 PWs) bands (ev): -18.1070 -18.1070 -6.9360 -6.9360 1.6112 1.6112 1.8705 1.8705 22.8245 22.8245 25.6240 25.6240 26.8113 26.8113 k = 0.4524 0.2108-0.0345 ( 814 PWs) bands (ev): -18.2086 -18.2086 -6.7985 -6.7985 1.5298 1.5298 1.7950 1.7950 22.7537 22.7537 25.5530 25.5530 26.4713 26.4713 k = 0.4484 0.2108-0.0345 ( 814 PWs) bands (ev): -18.3162 -18.3162 -6.6520 -6.6520 1.4423 1.4423 1.7139 1.7139 22.6743 22.6743 25.4701 25.4701 26.1341 26.1341 k = 0.4444 0.2108-0.0345 ( 814 PWs) bands (ev): -18.4292 -18.4292 -6.4969 -6.4969 1.3491 1.3491 1.6272 1.6272 22.5857 22.5857 25.3749 25.3749 25.7995 25.7995 k = 0.4405 0.2108-0.0345 ( 820 PWs) bands (ev): -18.5473 -18.5473 -6.3337 -6.3337 1.2502 1.2502 1.5352 1.5352 22.4880 22.4880 25.2668 25.2668 25.4678 25.4678 k = 0.4365 0.2108-0.0345 ( 818 PWs) bands (ev): -18.6698 -18.6698 -6.1629 -6.1629 1.1460 1.1460 1.4382 1.4382 22.3809 22.3809 25.1388 25.1388 25.1461 25.1461 k = 0.4325 0.2108-0.0345 ( 816 PWs) bands (ev): -18.7965 -18.7965 -5.9849 -5.9849 1.0367 1.0367 1.3363 1.3363 22.2643 22.2643 24.8127 24.8127 25.0129 25.0129 k = 0.4286 0.2108-0.0345 ( 812 PWs) bands (ev): -18.9268 -18.9268 -5.8002 -5.8002 0.9226 0.9226 1.2299 1.2299 22.1384 22.1384 24.4894 24.4894 24.8681 24.8681 k = 0.4246 0.2108-0.0345 ( 810 PWs) bands (ev): -19.0605 -19.0605 -5.6092 -5.6092 0.8038 0.8038 1.1190 1.1190 22.0032 22.0032 24.1689 24.1689 24.7125 24.7125 k = 0.4206 0.2108-0.0345 ( 810 PWs) bands (ev): -19.1970 -19.1970 -5.4122 -5.4122 0.6807 0.6807 1.0039 1.0039 21.8591 21.8591 23.8513 23.8513 24.5472 24.5472 k = 0.4167 0.2108-0.0345 ( 812 PWs) bands (ev): -19.3362 -19.3362 -5.2096 -5.2096 0.5535 0.5535 0.8848 0.8848 21.7063 21.7063 23.5366 23.5366 24.3733 24.3733 k = 0.4127 0.2108-0.0345 ( 808 PWs) bands (ev): -19.4776 -19.4776 -5.0017 -5.0017 0.4225 0.4225 0.7620 0.7620 21.5454 21.5454 23.2248 23.2248 24.1922 24.1922 k = 0.4087 0.2108-0.0345 ( 808 PWs) bands (ev): -19.6210 -19.6210 -4.7889 -4.7889 0.2878 0.2878 0.6357 0.6357 21.3767 21.3767 22.9159 22.9159 24.0047 24.0047 k = 0.4048 0.2108-0.0345 ( 808 PWs) bands (ev): -19.7661 -19.7661 -4.5714 -4.5714 0.1497 0.1497 0.5060 0.5060 21.2007 21.2007 22.6099 22.6099 23.8121 23.8121 k = 0.4008 0.2108-0.0345 ( 808 PWs) bands (ev): -19.9126 -19.9126 -4.3495 -4.3495 0.0085 0.0085 0.3732 0.3732 21.0181 21.0181 22.3069 22.3069 23.6151 23.6151 k = 0.3968 0.2108-0.0345 ( 808 PWs) bands (ev): -20.0604 -20.0604 -4.1233 -4.1233 -0.1357 -0.1357 0.2376 0.2376 20.8295 20.8295 22.0067 22.0067 23.4146 23.4146 k = 0.3929 0.2108-0.0345 ( 808 PWs) bands (ev): -20.2091 -20.2091 -3.8933 -3.8933 -0.2825 -0.2825 0.0992 0.0992 20.6353 20.6353 21.7095 21.7095 23.2111 23.2112 k = 0.3889 0.2108-0.0345 ( 814 PWs) bands (ev): -20.3587 -20.3587 -3.6595 -3.6595 -0.4319 -0.4319 -0.0417 -0.0417 20.4363 20.4363 21.4152 21.4152 22.9325 22.9326 k = 0.3849 0.2108-0.0345 ( 814 PWs) bands (ev): -20.5089 -20.5089 -3.4222 -3.4222 -0.5834 -0.5834 -0.1848 -0.1848 20.2330 20.2330 21.1239 21.1239 22.6407 22.6407 k = 0.3810 0.2108-0.0345 ( 814 PWs) bands (ev): -20.6596 -20.6596 -3.1816 -3.1816 -0.7371 -0.7371 -0.3300 -0.3300 20.0259 20.0259 20.8355 20.8355 22.3519 22.3519 k = 0.3770 0.2108-0.0345 ( 814 PWs) bands (ev): -20.8105 -20.8105 -2.9378 -2.9378 -0.8926 -0.8926 -0.4771 -0.4771 19.8156 19.8156 20.5501 20.5501 22.0661 22.0661 k = 0.3730 0.2108-0.0345 ( 814 PWs) bands (ev): -20.9616 -20.9616 -2.6910 -2.6910 -1.0497 -1.0497 -0.6259 -0.6259 19.6026 19.6026 20.2677 20.2677 21.7833 21.7833 k = 0.3690 0.2108-0.0345 ( 814 PWs) bands (ev): -21.1127 -21.1127 -2.4414 -2.4414 -1.2084 -1.2084 -0.7763 -0.7763 19.3873 19.3873 19.9882 19.9882 21.5034 21.5034 k = 0.3651 0.2108-0.0345 ( 814 PWs) bands (ev): -21.2637 -21.2637 -2.1891 -2.1891 -1.3683 -1.3683 -0.9281 -0.9281 19.1702 19.1702 19.7117 19.7117 21.2266 21.2266 k = 0.3611 0.2108-0.0345 ( 814 PWs) bands (ev): -21.4146 -21.4146 -1.9344 -1.9344 -1.5292 -1.5292 -1.0811 -1.0811 18.9517 18.9517 19.4382 19.4382 20.9527 20.9527 k = 0.3571 0.2108-0.0345 ( 814 PWs) bands (ev): -21.5650 -21.5650 -1.6978 -1.6978 -1.6708 -1.6708 -1.2351 -1.2351 18.7321 18.7321 19.1677 19.1677 20.6819 20.6819 k = 0.3532 0.2108-0.0345 ( 816 PWs) bands (ev): -21.7151 -21.7151 -1.8549 -1.8549 -1.4208 -1.4208 -1.3863 -1.3863 18.5119 18.5119 18.9001 18.9001 20.4140 20.4140 k = 0.3492 0.2108-0.0345 ( 818 PWs) bands (ev): -21.8646 -21.8646 -2.0183 -2.0183 -1.5465 -1.5465 -1.1548 -1.1548 18.2912 18.2912 18.6356 18.6356 20.1492 20.1492 k = 0.3452 0.2108-0.0345 ( 820 PWs) bands (ev): -22.0136 -22.0136 -2.1824 -2.1824 -1.7028 -1.7028 -0.8912 -0.8912 18.0705 18.0705 18.3740 18.3740 19.8874 19.8874 k = 0.3413 0.2108-0.0345 ( 822 PWs) bands (ev): -22.1618 -22.1618 -2.3468 -2.3468 -1.8597 -1.8597 -0.6255 -0.6255 17.8499 17.8499 18.1155 18.1155 19.6286 19.6286 k = 0.3373 0.2108-0.0345 ( 824 PWs) bands (ev): -22.3094 -22.3094 -2.5115 -2.5115 -2.0169 -2.0169 -0.3579 -0.3579 17.6297 17.6297 17.8600 17.8600 19.3728 19.3729 k = 0.3333 0.2108-0.0345 ( 822 PWs) bands (ev): -22.4561 -22.4561 -2.6763 -2.6763 -2.1744 -2.1744 -0.0884 -0.0884 17.4101 17.4101 17.6074 17.6074 19.1201 19.1201 k = 0.3294 0.2108-0.0345 ( 822 PWs) bands (ev): -22.6019 -22.6019 -2.8412 -2.8412 -2.3321 -2.3321 0.1826 0.1826 17.1913 17.1913 17.3580 17.3580 18.8704 18.8704 k = 0.3254 0.2108-0.0345 ( 822 PWs) bands (ev): -22.7467 -22.7467 -3.0059 -3.0059 -2.4897 -2.4897 0.4552 0.4552 16.9735 16.9735 17.1115 17.1115 18.6237 18.6237 k = 0.3214 0.2108-0.0345 ( 822 PWs) bands (ev): -22.8906 -22.8906 -3.1703 -3.1703 -2.6473 -2.6473 0.7292 0.7292 16.7568 16.7568 16.8681 16.8681 18.3801 18.3801 k = 0.3175 0.2108-0.0345 ( 828 PWs) bands (ev): -23.0334 -23.0334 -3.3346 -3.3346 -2.8046 -2.8046 1.0044 1.0044 16.5414 16.5414 16.6277 16.6277 18.1395 18.1395 k = 0.3135 0.2108-0.0345 ( 830 PWs) bands (ev): -23.1752 -23.1752 -3.4983 -3.4983 -2.9617 -2.9617 1.2811 1.2811 16.3274 16.3274 16.3903 16.3903 17.9020 17.9020 k = 0.3095 0.2108-0.0345 ( 830 PWs) bands (ev): -23.3157 -23.3157 -3.6614 -3.6614 -3.1183 -3.1183 1.5588 1.5588 16.1149 16.1149 16.1561 16.1561 17.6676 17.6676 k = 0.3056 0.2108-0.0345 ( 832 PWs) bands (ev): -23.4551 -23.4551 -3.8240 -3.8240 -3.2744 -3.2744 1.8376 1.8376 15.9041 15.9041 15.9249 15.9249 17.4362 17.4362 k = 0.3016 0.2108-0.0345 ( 832 PWs) bands (ev): -23.5932 -23.5932 -3.9858 -3.9858 -3.4299 -3.4299 2.1174 2.1174 15.6950 15.6950 15.6967 15.6967 17.2079 17.2079 k = 0.2976 0.2108-0.0345 ( 832 PWs) bands (ev): -23.7301 -23.7301 -4.1468 -4.1468 -3.5848 -3.5848 2.3980 2.3980 15.4717 15.4717 15.4877 15.4877 16.9826 16.9826 k = 0.2937 0.2108-0.0345 ( 830 PWs) bands (ev): -23.8657 -23.8657 -4.3070 -4.3070 -3.7389 -3.7389 2.6795 2.6795 15.2498 15.2498 15.2824 15.2824 16.7605 16.7605 k = 0.2897 0.2108-0.0345 ( 830 PWs) bands (ev): -23.9999 -23.9999 -4.4661 -4.4661 -3.8921 -3.8921 2.9615 2.9615 15.0310 15.0310 15.0790 15.0790 16.5415 16.5415 k = 0.2857 0.2108-0.0345 ( 828 PWs) bands (ev): -24.1328 -24.1328 -4.6243 -4.6243 -4.0445 -4.0445 3.2441 3.2441 14.8153 14.8153 14.8777 14.8777 16.3256 16.3256 k = 0.2817 0.2108-0.0345 ( 824 PWs) bands (ev): -24.2642 -24.2642 -4.7813 -4.7813 -4.1958 -4.1958 3.5273 3.5273 14.6028 14.6028 14.6786 14.6786 16.1128 16.1128 k = 0.2778 0.2108-0.0345 ( 822 PWs) bands (ev): -24.3943 -24.3943 -4.9371 -4.9371 -4.3461 -4.3461 3.8107 3.8107 14.3934 14.3934 14.4816 14.4816 15.9032 15.9032 k = 0.2738 0.2108-0.0345 ( 824 PWs) bands (ev): -24.5229 -24.5229 -5.0918 -5.0918 -4.4953 -4.4953 4.0942 4.0942 14.1873 14.1873 14.2869 14.2869 15.6967 15.6967 k = 0.2698 0.2108-0.0345 ( 824 PWs) bands (ev): -24.6500 -24.6500 -5.2451 -5.2451 -4.6434 -4.6434 4.3778 4.3778 13.9844 13.9844 14.0944 14.0944 15.4935 15.4935 k = 0.2659 0.2108-0.0345 ( 824 PWs) bands (ev): -24.7756 -24.7756 -5.3970 -5.3970 -4.7902 -4.7902 4.6614 4.6614 13.7848 13.7848 13.9043 13.9043 15.2934 15.2934 k = 0.2619 0.2108-0.0345 ( 824 PWs) bands (ev): -24.8996 -24.8996 -5.5476 -5.5476 -4.9356 -4.9356 4.9447 4.9447 13.5885 13.5885 13.7165 13.7165 15.0967 15.0967 k = 0.2579 0.2108-0.0345 ( 820 PWs) bands (ev): -25.0221 -25.0221 -5.6967 -5.6967 -5.0798 -5.0798 5.2277 5.2277 13.3956 13.3956 13.5312 13.5312 14.9032 14.9032 k = 0.2540 0.2108-0.0345 ( 824 PWs) bands (ev): -25.1431 -25.1431 -5.8442 -5.8442 -5.2225 -5.2225 5.5099 5.5099 13.2061 13.2061 13.3483 13.3483 14.7130 14.7130 k = 0.2500 0.2108-0.0345 ( 824 PWs) bands (ev): -25.2625 -25.2625 -5.9902 -5.9902 -5.3638 -5.3638 5.7913 5.7913 13.0201 13.0201 13.1678 13.1678 14.5263 14.5263 k = 0.2460 0.2108-0.0345 ( 824 PWs) bands (ev): -25.3802 -25.3802 -6.1346 -6.1346 -5.5035 -5.5035 6.0716 6.0716 12.8377 12.8377 12.9899 12.9899 14.3430 14.3430 k = 0.2421 0.2108-0.0345 ( 824 PWs) bands (ev): -25.4963 -25.4963 -6.2772 -6.2772 -5.6417 -5.6417 6.3505 6.3505 12.6590 12.6590 12.8146 12.8146 14.1632 14.1632 k = 0.2381 0.2108-0.0345 ( 824 PWs) bands (ev): -25.6108 -25.6108 -6.4182 -6.4182 -5.7783 -5.7783 6.6276 6.6276 12.4843 12.4843 12.6417 12.6417 13.9870 13.9870 k = 0.2341 0.2108-0.0345 ( 824 PWs) bands (ev): -25.7236 -25.7236 -6.5575 -6.5575 -5.9133 -5.9133 6.9026 6.9026 12.3135 12.3135 12.4715 12.4715 13.8147 13.8147 k = 0.2302 0.2108-0.0345 ( 824 PWs) bands (ev): -25.8348 -25.8348 -6.6950 -6.6950 -6.0466 -6.0466 7.1750 7.1750 12.1471 12.1471 12.3039 12.3039 13.6462 13.6462 k = 0.2262 0.2108-0.0345 ( 826 PWs) bands (ev): -25.9442 -25.9442 -6.8306 -6.8306 -6.1782 -6.1782 7.4439 7.4439 11.9854 11.9854 12.1389 12.1389 13.4819 13.4819 k = 0.2222 0.2108-0.0345 ( 826 PWs) bands (ev): -26.0520 -26.0520 -6.9644 -6.9644 -6.3080 -6.3080 7.7089 7.7089 11.8287 11.8287 11.9766 11.9766 13.3220 13.3220 k = 0.2183 0.2108-0.0345 ( 824 PWs) bands (ev): -26.1581 -26.1581 -7.0963 -7.0963 -6.4360 -6.4360 7.9685 7.9685 11.6778 11.6778 11.8170 11.8170 13.1668 13.1668 k = 0.2143 0.2108-0.0345 ( 824 PWs) bands (ev): -26.2624 -26.2624 -7.2262 -7.2262 -6.5622 -6.5622 8.2214 8.2214 11.5335 11.5335 11.6600 11.6600 13.0169 13.0169 k = 0.2103 0.2108-0.0345 ( 826 PWs) bands (ev): -26.3650 -26.3650 -7.3542 -7.3542 -6.6865 -6.6865 8.4654 8.4654 11.3969 11.3969 11.5058 11.5058 12.8729 12.8729 k = 0.2063 0.2108-0.0345 ( 826 PWs) bands (ev): -26.4658 -26.4658 -7.4802 -7.4802 -6.8089 -6.8089 8.6980 8.6980 11.2699 11.2699 11.3542 11.3542 12.7358 12.7358 k = 0.2024 0.2108-0.0345 ( 822 PWs) bands (ev): -26.5648 -26.5648 -7.6042 -7.6042 -6.9295 -6.9295 8.9149 8.9149 11.1548 11.1548 11.2055 11.2055 12.6069 12.6069 k = 0.1984 0.2108-0.0345 ( 822 PWs) bands (ev): -26.6620 -26.6620 -7.7262 -7.7262 -7.0480 -7.0480 9.1106 9.1106 11.0544 11.0544 11.0602 11.0602 12.4884 12.4884 k = 0.1944 0.2108-0.0345 ( 820 PWs) bands (ev): -26.7575 -26.7575 -7.8461 -7.8461 -7.1646 -7.1646 9.2777 9.2777 10.9160 10.9160 10.9755 10.9755 12.3831 12.3831 k = 0.1905 0.2108-0.0345 ( 820 PWs) bands (ev): -26.8512 -26.8512 -7.9639 -7.9639 -7.2791 -7.2791 9.4073 9.4073 10.7755 10.7755 10.9194 10.9194 12.2956 12.2956 k = 0.1865 0.2108-0.0345 ( 822 PWs) bands (ev): -26.9431 -26.9431 -8.0795 -8.0795 -7.3916 -7.3916 9.4917 9.4917 10.6377 10.6377 10.8884 10.8884 12.2321 12.2321 k = 0.1825 0.2108-0.0345 ( 822 PWs) bands (ev): -27.0331 -27.0331 -8.1930 -8.1930 -7.5021 -7.5021 9.5286 9.5286 10.5028 10.5028 10.8766 10.8766 12.2008 12.2009 k = 0.1786 0.2108-0.0345 ( 822 PWs) bands (ev): -27.1214 -27.1214 -8.3044 -8.3044 -7.6105 -7.6105 9.5226 9.5226 10.3706 10.3706 10.8706 10.8706 12.2101 12.2101 k = 0.1746 0.2108-0.0345 ( 820 PWs) bands (ev): -27.2078 -27.2078 -8.4135 -8.4135 -7.7168 -7.7168 9.4834 9.4834 10.2413 10.2413 10.8558 10.8558 12.2647 12.2647 k = 0.1706 0.2108-0.0345 ( 820 PWs) bands (ev): -27.2923 -27.2923 -8.5205 -8.5205 -7.8209 -7.8209 9.4210 9.4210 10.1148 10.1148 10.8233 10.8233 12.3630 12.3630 k = 0.1667 0.2108-0.0345 ( 820 PWs) bands (ev): -27.3750 -27.3750 -8.6252 -8.6252 -7.9229 -7.9229 9.3434 9.3434 9.9911 9.9911 10.7720 10.7720 12.4978 12.4978 k = 0.1627 0.2108-0.0345 ( 820 PWs) bands (ev): -27.4559 -27.4559 -8.7277 -8.7277 -8.0228 -8.0228 9.2564 9.2564 9.8702 9.8702 10.7054 10.7054 12.6594 12.6595 k = 0.1587 0.2108-0.0345 ( 820 PWs) bands (ev): -27.5349 -27.5349 -8.8279 -8.8279 -8.1204 -8.1204 9.1636 9.1636 9.7522 9.7522 10.6278 10.6278 12.7897 12.7897 k = 0.1548 0.2108-0.0345 ( 820 PWs) bands (ev): -27.6120 -27.6120 -8.9258 -8.9258 -8.2158 -8.2158 9.0677 9.0677 9.6370 9.6370 10.5431 10.5431 12.6799 12.6799 k = 0.1508 0.2108-0.0345 ( 820 PWs) bands (ev): -27.6872 -27.6872 -9.0215 -9.0215 -8.3091 -8.3091 8.9702 8.9702 9.5247 9.5247 10.4540 10.4540 12.5720 12.5721 k = 0.1468 0.2108-0.0345 ( 820 PWs) bands (ev): -27.7606 -27.7606 -9.1148 -9.1148 -8.4000 -8.4000 8.8725 8.8725 9.4152 9.4152 10.3625 10.3625 12.4668 12.4669 k = 0.1429 0.2108-0.0345 ( 822 PWs) bands (ev): -27.8321 -27.8321 -9.2057 -9.2057 -8.4888 -8.4888 8.7751 8.7751 9.3086 9.3086 10.2700 10.2700 12.3644 12.3644 k = 0.1389 0.2108-0.0345 ( 820 PWs) bands (ev): -27.9016 -27.9016 -9.2944 -9.2944 -8.5752 -8.5752 8.6788 8.6788 9.2049 9.2049 10.1774 10.1774 12.2646 12.2646 k = 0.1349 0.2108-0.0345 ( 820 PWs) bands (ev): -27.9693 -27.9693 -9.3807 -9.3807 -8.6594 -8.6594 8.5839 8.5839 9.1040 9.1040 10.0856 10.0856 12.1676 12.1676 k = 0.1310 0.2108-0.0345 ( 820 PWs) bands (ev): -28.0351 -28.0351 -9.4646 -9.4646 -8.7412 -8.7412 8.4908 8.4908 9.0060 9.0060 9.9949 9.9949 12.0733 12.0733 k = 0.1270 0.2108-0.0345 ( 822 PWs) bands (ev): -28.0989 -28.0989 -9.5461 -9.5461 -8.8208 -8.8208 8.3997 8.3997 8.9110 8.9110 9.9057 9.9057 11.9818 11.9818 k = 0.1230 0.2108-0.0345 ( 824 PWs) bands (ev): -28.1609 -28.1609 -9.6252 -9.6252 -8.8980 -8.8980 8.3107 8.3107 8.8188 8.8188 9.8184 9.8184 11.8930 11.8930 k = 0.1190 0.2108-0.0345 ( 824 PWs) bands (ev): -28.2209 -28.2209 -9.7020 -9.7020 -8.9729 -8.9729 8.2240 8.2240 8.7294 8.7294 9.7331 9.7331 11.8070 11.8070 k = 0.1151 0.2108-0.0345 ( 824 PWs) bands (ev): -28.2790 -28.2790 -9.7763 -9.7763 -9.0454 -9.0454 8.1398 8.1398 8.6430 8.6430 9.6500 9.6500 11.7237 11.7237 k = 0.1111 0.2108-0.0345 ( 824 PWs) bands (ev): -28.3351 -28.3351 -9.8481 -9.8481 -9.1156 -9.1156 8.0581 8.0581 8.5595 8.5595 9.5693 9.5693 11.6433 11.6433 k = 0.1071 0.2108-0.0345 ( 832 PWs) bands (ev): -28.3894 -28.3894 -9.9176 -9.9176 -9.1834 -9.1834 7.9789 7.9789 8.4789 8.4789 9.4910 9.4910 11.5656 11.5656 k = 0.1032 0.2108-0.0345 ( 838 PWs) bands (ev): -28.4417 -28.4417 -9.9846 -9.9846 -9.2488 -9.2488 7.9024 7.9024 8.4012 8.4012 9.4152 9.4152 11.4907 11.4907 k = 0.0992 0.2108-0.0345 ( 838 PWs) bands (ev): -28.4921 -28.4921 -10.0491 -10.0491 -9.3119 -9.3119 7.8286 7.8286 8.3264 8.3264 9.3421 9.3421 11.4186 11.4186 k = 0.0952 0.2108-0.0345 ( 844 PWs) bands (ev): -28.5405 -28.5405 -10.1112 -10.1112 -9.3725 -9.3725 7.7574 7.7574 8.2545 8.2545 9.2715 9.2715 11.3492 11.3492 k = 0.0913 0.2108-0.0345 ( 846 PWs) bands (ev): -28.5869 -28.5869 -10.1708 -10.1708 -9.4307 -9.4307 7.6891 7.6891 8.1856 8.1856 9.2037 9.2037 11.2827 11.2827 k = 0.0873 0.2108-0.0345 ( 844 PWs) bands (ev): -28.6314 -28.6314 -10.2279 -10.2279 -9.4865 -9.4865 7.6235 7.6235 8.1195 8.1195 9.1386 9.1386 11.2190 11.2190 k = 0.0833 0.2108-0.0345 ( 844 PWs) bands (ev): -28.6740 -28.6740 -10.2825 -10.2825 -9.5399 -9.5399 7.5608 7.5608 8.0564 8.0564 9.0763 9.0763 11.1581 11.1581 k = 0.0794 0.2108-0.0345 ( 844 PWs) bands (ev): -28.7145 -28.7145 -10.3346 -10.3346 -9.5908 -9.5908 7.5009 7.5009 7.9962 7.9962 9.0167 9.0167 11.1000 11.1000 k = 0.0754 0.2108-0.0345 ( 846 PWs) bands (ev): -28.7532 -28.7532 -10.3842 -10.3842 -9.6393 -9.6393 7.4438 7.4438 7.9389 7.9389 8.9600 8.9600 11.0447 11.0447 k = 0.0714 0.2108-0.0345 ( 844 PWs) bands (ev): -28.7898 -28.7898 -10.4314 -10.4314 -9.6853 -9.6853 7.3896 7.3896 7.8846 7.8846 8.9061 8.9061 10.9923 10.9923 k = 0.0675 0.2108-0.0345 ( 842 PWs) bands (ev): -28.8245 -28.8245 -10.4759 -10.4759 -9.7289 -9.7289 7.3383 7.3383 7.8332 7.8332 8.8550 8.8550 10.9426 10.9426 k = 0.0635 0.2108-0.0345 ( 840 PWs) bands (ev): -28.8572 -28.8572 -10.5180 -10.5180 -9.7700 -9.7700 7.2898 7.2898 7.7847 7.7847 8.8068 8.8068 10.8958 10.8958 k = 0.0595 0.2108-0.0345 ( 844 PWs) bands (ev): -28.8880 -28.8880 -10.5576 -10.5576 -9.8087 -9.8087 7.2443 7.2443 7.7391 7.7391 8.7615 8.7615 10.8518 10.8518 k = 0.0556 0.2108-0.0345 ( 846 PWs) bands (ev): -28.9167 -28.9167 -10.5946 -10.5946 -9.8449 -9.8449 7.2017 7.2017 7.6965 7.6965 8.7191 8.7191 10.8106 10.8106 k = 0.0516 0.2108-0.0345 ( 848 PWs) bands (ev): -28.9435 -28.9435 -10.6291 -10.6291 -9.8786 -9.8786 7.1619 7.1619 7.6568 7.6568 8.6796 8.6796 10.7723 10.7723 k = 0.0476 0.2108-0.0345 ( 848 PWs) bands (ev): -28.9683 -28.9683 -10.6610 -10.6610 -9.9098 -9.9098 7.1251 7.1251 7.6200 7.6200 8.6429 8.6429 10.7368 10.7368 k = 0.0437 0.2108-0.0345 ( 848 PWs) bands (ev): -28.9912 -28.9912 -10.6904 -10.6904 -9.9386 -9.9386 7.0913 7.0913 7.5862 7.5862 8.6092 8.6092 10.7041 10.7041 k = 0.0397 0.2108-0.0345 ( 840 PWs) bands (ev): -29.0120 -29.0120 -10.7173 -10.7173 -9.9649 -9.9649 7.0603 7.0603 7.5553 7.5553 8.5784 8.5784 10.6743 10.6743 k = 0.0357 0.2108-0.0345 ( 840 PWs) bands (ev): -29.0309 -29.0309 -10.7416 -10.7416 -9.9886 -9.9886 7.0323 7.0323 7.5274 7.5274 8.5505 8.5505 10.6473 10.6473 k = 0.0317 0.2108-0.0345 ( 840 PWs) bands (ev): -29.0478 -29.0478 -10.7634 -10.7634 -10.0099 -10.0099 7.0072 7.0072 7.5024 7.5024 8.5255 8.5255 10.6231 10.6231 k = 0.0278 0.2108-0.0345 ( 844 PWs) bands (ev): -29.0627 -29.0627 -10.7826 -10.7826 -10.0287 -10.0287 6.9851 6.9851 7.4803 7.4803 8.5035 8.5035 10.6018 10.6018 k = 0.0238 0.2108-0.0345 ( 842 PWs) bands (ev): -29.0756 -29.0756 -10.7992 -10.7992 -10.0450 -10.0450 6.9659 6.9659 7.4612 7.4612 8.4844 8.4844 10.5833 10.5833 k = 0.0198 0.2108-0.0345 ( 842 PWs) bands (ev): -29.0865 -29.0865 -10.8133 -10.8133 -10.0588 -10.0588 6.9497 6.9497 7.4450 7.4450 8.4682 8.4682 10.5677 10.5677 k = 0.0159 0.2108-0.0345 ( 844 PWs) bands (ev): -29.0955 -29.0955 -10.8249 -10.8249 -10.0700 -10.0700 6.9364 6.9364 7.4317 7.4317 8.4550 8.4550 10.5549 10.5549 k = 0.0119 0.2108-0.0345 ( 844 PWs) bands (ev): -29.1024 -29.1024 -10.8338 -10.8338 -10.0788 -10.0788 6.9261 6.9261 7.4214 7.4214 8.4447 8.4447 10.5449 10.5449 k = 0.0079 0.2108-0.0345 ( 844 PWs) bands (ev): -29.1074 -29.1074 -10.8402 -10.8402 -10.0851 -10.0851 6.9187 6.9187 7.4141 7.4141 8.4373 8.4373 10.5378 10.5378 k = 0.0040 0.2108-0.0345 ( 844 PWs) bands (ev): -29.1104 -29.1104 -10.8441 -10.8441 -10.0888 -10.0888 6.9143 6.9143 7.4097 7.4097 8.4329 8.4329 10.5335 10.5335 k = 0.0000 0.2108-0.0345 ( 844 PWs) bands (ev): -29.1114 -29.1114 -10.8454 -10.8454 -10.0901 -10.0901 6.9128 6.9128 7.4082 7.4082 8.4315 8.4315 10.5321 10.5321 k = 0.0000 0.2108-0.0345 ( 844 PWs) bands (ev): -29.1114 -29.1114 -10.8454 -10.8454 -10.0901 -10.0901 6.9128 6.9128 7.4082 7.4082 8.4315 8.4315 10.5321 10.5321 k = 0.0000 0.2114-0.0306 ( 844 PWs) bands (ev): -29.1114 -29.1114 -10.8453 -10.8453 -10.0901 -10.0901 6.9133 6.9133 7.4068 7.4068 8.4347 8.4347 10.5275 10.5275 k = 0.0000 0.2120-0.0268 ( 844 PWs) bands (ev): -29.1114 -29.1114 -10.8452 -10.8452 -10.0901 -10.0901 6.9147 6.9147 7.4027 7.4027 8.4443 8.4443 10.5139 10.5139 k = 0.0000 0.2126-0.0230 ( 845 PWs) bands (ev): -29.1114 -29.1114 -10.8451 -10.8451 -10.0902 -10.0902 6.9166 6.9166 7.3966 7.3966 8.4597 8.4597 10.4916 10.4916 k = 0.0000 0.2133-0.0192 ( 846 PWs) bands (ev): -29.1114 -29.1114 -10.8449 -10.8449 -10.0902 -10.0902 6.9187 6.9187 7.3896 7.3896 8.4802 8.4802 10.4610 10.4610 k = 0.0000 0.2139-0.0153 ( 847 PWs) bands (ev): -29.1115 -29.1115 -10.8447 -10.8447 -10.0903 -10.0903 6.9203 6.9203 7.3830 7.3830 8.5049 8.5049 10.4229 10.4229 k = 0.0000 0.2145-0.0115 ( 847 PWs) bands (ev): -29.1115 -29.1115 -10.8444 -10.8444 -10.0904 -10.0904 6.9206 6.9206 7.3781 7.3781 8.5328 8.5328 10.3783 10.3783 k = 0.0000 0.2151-0.0077 ( 845 PWs) bands (ev): -29.1116 -29.1116 -10.8440 -10.8440 -10.0905 -10.0905 6.9188 6.9188 7.3766 7.3766 8.5626 8.5626 10.3280 10.3280 k = 0.0000 0.2158-0.0039 ( 843 PWs) bands (ev): -29.1116 -29.1116 -10.8436 -10.8436 -10.0907 -10.0907 6.9141 6.9141 7.3798 7.3798 8.5934 8.5934 10.2734 10.2734 k = 0.0000 0.2164-0.0000 ( 839 PWs) bands (ev): -29.1117 -29.1117 -10.8432 -10.8432 -10.0908 -10.0908 6.9059 6.9059 7.3887 7.3887 8.6238 8.6238 10.2157 10.2157 k = 0.0000 0.2170 0.0038 ( 839 PWs) bands (ev): -29.1117 -29.1117 -10.8427 -10.8427 -10.0910 -10.0910 6.8942 6.8942 7.4038 7.4038 8.6527 8.6527 10.1564 10.1564 k = 0.0000 0.2177 0.0076 ( 839 PWs) bands (ev): -29.1118 -29.1118 -10.8421 -10.8421 -10.0912 -10.0912 6.8792 6.8792 7.4254 7.4254 8.6789 8.6789 10.0971 10.0971 k = 0.0000 0.2183 0.0114 ( 839 PWs) bands (ev): -29.1119 -29.1119 -10.8415 -10.8415 -10.0914 -10.0914 6.8612 6.8612 7.4530 7.4530 8.7010 8.7010 10.0394 10.0394 k = 0.0000 0.2189 0.0153 ( 839 PWs) bands (ev): -29.1120 -29.1120 -10.8408 -10.8408 -10.0916 -10.0916 6.8410 6.8410 7.4862 7.4862 8.7178 8.7178 9.9849 9.9849 k = 0.0000 0.2195 0.0191 ( 840 PWs) bands (ev): -29.1121 -29.1121 -10.8401 -10.8401 -10.0918 -10.0918 6.8191 6.8191 7.5244 7.5244 8.7282 8.7282 9.9353 9.9353 k = 0.0000 0.2202 0.0229 ( 838 PWs) bands (ev): -29.1122 -29.1122 -10.8393 -10.8393 -10.0920 -10.0920 6.7961 6.7961 7.5668 7.5668 8.7313 8.7313 9.8919 9.8919 k = 0.0000 0.2208 0.0268 ( 840 PWs) bands (ev): -29.1123 -29.1123 -10.8385 -10.8385 -10.0922 -10.0922 6.7725 6.7725 7.6125 7.6125 8.7267 8.7267 9.8559 9.8559 k = 0.0000 0.2214 0.0306 ( 840 PWs) bands (ev): -29.1124 -29.1124 -10.8376 -10.8376 -10.0925 -10.0925 6.7487 6.7487 7.6608 7.6608 8.7147 8.7147 9.8277 9.8277 k = 0.0000 0.2220 0.0344 ( 836 PWs) bands (ev): -29.1125 -29.1125 -10.8367 -10.8367 -10.0927 -10.0927 6.7250 6.7250 7.7105 7.7105 8.6964 8.6964 9.8073 9.8073 k = 0.5000 0.1995 0.1033 ( 804 PWs) bands (ev): -17.5238 -17.5238 -7.7097 -7.7097 2.0581 2.0581 2.2810 2.2810 23.1746 23.1746 25.8032 25.8032 30.5481 30.5481 k = 0.5000 0.1956 0.1033 ( 804 PWs) bands (ev): -17.5240 -17.5240 -7.7105 -7.7105 2.0605 2.0605 2.2807 2.2807 23.1874 23.1874 25.7817 25.7817 30.4430 30.4430 k = 0.5000 0.1917 0.1033 ( 806 PWs) bands (ev): -17.5243 -17.5243 -7.7116 -7.7116 2.0635 2.0635 2.2803 2.2803 23.2038 23.2038 25.7558 25.7558 30.3299 30.3299 k = 0.5000 0.1878 0.1033 ( 806 PWs) bands (ev): -17.5246 -17.5246 -7.7129 -7.7129 2.0672 2.0672 2.2798 2.2798 23.2238 23.2238 25.7257 25.7257 30.2150 30.2150 k = 0.5000 0.1839 0.1033 ( 806 PWs) bands (ev): -17.5249 -17.5249 -7.7145 -7.7145 2.0716 2.0716 2.2793 2.2793 23.2474 23.2474 25.6918 25.6918 30.1002 30.1002 k = 0.5000 0.1799 0.1033 ( 808 PWs) bands (ev): -17.5253 -17.5253 -7.7162 -7.7162 2.0766 2.0766 2.2786 2.2786 23.2746 23.2746 25.6542 25.6542 29.9862 29.9862 k = 0.5000 0.1760 0.1033 ( 806 PWs) bands (ev): -17.5258 -17.5258 -7.7182 -7.7182 2.0823 2.0823 2.2780 2.2780 23.3053 23.3053 25.6134 25.6134 29.8736 29.8736 k = 0.5000 0.1721 0.1033 ( 806 PWs) bands (ev): -17.5263 -17.5263 -7.7204 -7.7204 2.0885 2.0885 2.2772 2.2772 23.3396 23.3396 25.5696 25.5696 29.7625 29.7625 k = 0.5000 0.1682 0.1033 ( 804 PWs) bands (ev): -17.5268 -17.5268 -7.7228 -7.7228 2.0953 2.0953 2.2764 2.2764 23.3774 23.3774 25.5232 25.5232 29.6532 29.6532 k = 0.5000 0.1643 0.1033 ( 802 PWs) bands (ev): -17.5274 -17.5274 -7.7254 -7.7254 2.1027 2.1027 2.2756 2.2756 23.4186 23.4186 25.4745 25.4745 29.5458 29.5458 k = 0.5000 0.1604 0.1033 ( 802 PWs) bands (ev): -17.5281 -17.5281 -7.7282 -7.7282 2.1106 2.1106 2.2746 2.2746 23.4633 23.4633 25.4238 25.4238 29.4405 29.4405 k = 0.5000 0.1565 0.1033 ( 802 PWs) bands (ev): -17.5287 -17.5287 -7.7312 -7.7312 2.1190 2.1190 2.2736 2.2736 23.5113 23.5113 25.3714 25.3714 29.3373 29.3373 k = 0.5000 0.1526 0.1033 ( 804 PWs) bands (ev): -17.5295 -17.5295 -7.7343 -7.7343 2.1278 2.1278 2.2726 2.2726 23.5627 23.5627 25.3175 25.3175 29.2363 29.2363 k = 0.5000 0.1486 0.1033 ( 806 PWs) bands (ev): -17.5302 -17.5302 -7.7376 -7.7376 2.1371 2.1371 2.2715 2.2715 23.6174 23.6174 25.2626 25.2626 29.1376 29.1376 k = 0.5000 0.1447 0.1033 ( 806 PWs) bands (ev): -17.5310 -17.5310 -7.7410 -7.7410 2.1468 2.1468 2.2705 2.2705 23.6754 23.6754 25.2068 25.2068 29.0412 29.0412 k = 0.5000 0.1408 0.1033 ( 810 PWs) bands (ev): -17.5318 -17.5318 -7.7446 -7.7446 2.1567 2.1567 2.2694 2.2694 23.7365 23.7365 25.1503 25.1503 28.9472 28.9472 k = 0.5000 0.1369 0.1033 ( 808 PWs) bands (ev): -17.5327 -17.5327 -7.7483 -7.7483 2.1670 2.1670 2.2683 2.2683 23.8009 23.8009 25.0937 25.0937 28.8555 28.8555 k = 0.5000 0.1330 0.1033 ( 808 PWs) bands (ev): -17.5336 -17.5336 -7.7520 -7.7520 2.1775 2.1775 2.2674 2.2674 23.8683 23.8683 25.0368 25.0368 28.7662 28.7662 k = 0.5000 0.1291 0.1033 ( 808 PWs) bands (ev): -17.5345 -17.5345 -7.7559 -7.7559 2.1882 2.1882 2.2665 2.2665 23.9386 23.9386 24.9801 24.9801 28.6794 28.6794 k = 0.5000 0.1252 0.1033 ( 804 PWs) bands (ev): -17.5354 -17.5354 -7.7599 -7.7599 2.1989 2.1989 2.2659 2.2659 24.0120 24.0120 24.9237 24.9237 28.5950 28.5950 k = 0.5000 0.1213 0.1033 ( 804 PWs) bands (ev): -17.5363 -17.5363 -7.7639 -7.7639 2.2094 2.2094 2.2657 2.2657 24.0881 24.0881 24.8676 24.8676 28.5132 28.5132 k = 0.5000 0.1174 0.1033 ( 802 PWs) bands (ev): -17.5373 -17.5373 -7.7680 -7.7680 2.2194 2.2194 2.2660 2.2660 24.1670 24.1670 24.8122 24.8122 28.4338 28.4338 k = 0.5000 0.1134 0.1033 ( 804 PWs) bands (ev): -17.5382 -17.5382 -7.7721 -7.7721 2.2282 2.2282 2.2676 2.2676 24.2484 24.2484 24.7575 24.7575 28.3569 28.3569 k = 0.5000 0.1095 0.1033 ( 806 PWs) bands (ev): -17.5392 -17.5392 -7.7762 -7.7762 2.2352 2.2352 2.2710 2.2710 24.3323 24.3323 24.7037 24.7037 28.2825 28.2825 k = 0.5000 0.1056 0.1033 ( 802 PWs) bands (ev): -17.5402 -17.5402 -7.7803 -7.7803 2.2398 2.2398 2.2771 2.2771 24.4186 24.4186 24.6510 24.6510 28.2107 28.2107 k = 0.5000 0.1017 0.1033 ( 802 PWs) bands (ev): -17.5411 -17.5411 -7.7844 -7.7844 2.2421 2.2421 2.2854 2.2854 24.5071 24.5071 24.5994 24.5994 28.1414 28.1414 k = 0.5000 0.0978 0.1033 ( 802 PWs) bands (ev): -17.5421 -17.5421 -7.7885 -7.7885 2.2429 2.2429 2.2952 2.2952 24.5491 24.5491 24.5977 24.5977 28.0747 28.0747 k = 0.5000 0.0939 0.1033 ( 800 PWs) bands (ev): -17.5431 -17.5431 -7.7926 -7.7926 2.2428 2.2428 2.3058 2.3058 24.5001 24.5001 24.6903 24.6903 28.0105 28.0105 k = 0.5000 0.0900 0.1033 ( 800 PWs) bands (ev): -17.5440 -17.5440 -7.7966 -7.7966 2.2423 2.2423 2.3167 2.3167 24.4526 24.4526 24.7845 24.7845 27.9489 27.9489 k = 0.5000 0.0861 0.1033 ( 800 PWs) bands (ev): -17.5449 -17.5449 -7.8006 -7.8006 2.2414 2.2414 2.3278 2.3278 24.4066 24.4066 24.8802 24.8802 27.8899 27.8899 k = 0.5000 0.0821 0.1033 ( 800 PWs) bands (ev): -17.5459 -17.5459 -7.8045 -7.8045 2.2405 2.2405 2.3389 2.3389 24.3622 24.3622 24.9772 24.9772 27.8335 27.8335 k = 0.5000 0.0782 0.1033 ( 802 PWs) bands (ev): -17.5468 -17.5468 -7.8083 -7.8083 2.2394 2.2394 2.3498 2.3498 24.3194 24.3194 25.0752 25.0752 27.7797 27.7797 k = 0.5000 0.0743 0.1033 ( 802 PWs) bands (ev): -17.5476 -17.5476 -7.8120 -7.8120 2.2382 2.2382 2.3606 2.3606 24.2785 24.2785 25.1741 25.1741 27.7284 27.7284 k = 0.5000 0.0704 0.1033 ( 804 PWs) bands (ev): -17.5485 -17.5485 -7.8156 -7.8156 2.2371 2.2371 2.3710 2.3710 24.2393 24.2393 25.2733 25.2733 27.6798 27.6798 k = 0.5000 0.0665 0.1033 ( 806 PWs) bands (ev): -17.5493 -17.5493 -7.8191 -7.8191 2.2359 2.2359 2.3812 2.3812 24.2020 24.2020 25.3727 25.3727 27.6338 27.6338 k = 0.5000 0.0626 0.1033 ( 806 PWs) bands (ev): -17.5501 -17.5501 -7.8224 -7.8224 2.2348 2.2348 2.3911 2.3911 24.1666 24.1666 25.4719 25.4719 27.5903 27.5903 k = 0.5000 0.0587 0.1033 ( 804 PWs) bands (ev): -17.5509 -17.5509 -7.8256 -7.8256 2.2337 2.2337 2.4006 2.4006 24.1331 24.1331 25.5706 25.5706 27.5495 27.5495 k = 0.5000 0.0548 0.1033 ( 800 PWs) bands (ev): -17.5516 -17.5516 -7.8286 -7.8286 2.2327 2.2327 2.4097 2.4097 24.1017 24.1017 25.6680 25.6680 27.5113 27.5113 k = 0.5000 0.0509 0.1033 ( 800 PWs) bands (ev): -17.5523 -17.5523 -7.8315 -7.8315 2.2317 2.2317 2.4183 2.4183 24.0722 24.0722 25.7638 25.7638 27.4758 27.4758 k = 0.5000 0.0469 0.1033 ( 800 PWs) bands (ev): -17.5529 -17.5529 -7.8342 -7.8342 2.2307 2.2307 2.4264 2.4264 24.0448 24.0448 25.8575 25.8575 27.4428 27.4428 k = 0.5000 0.0430 0.1033 ( 800 PWs) bands (ev): -17.5535 -17.5535 -7.8367 -7.8367 2.2298 2.2298 2.4339 2.4339 24.0195 24.0195 25.9483 25.9483 27.4125 27.4125 k = 0.5000 0.0391 0.1033 ( 800 PWs) bands (ev): -17.5541 -17.5541 -7.8390 -7.8390 2.2289 2.2289 2.4409 2.4409 23.9963 23.9963 26.0357 26.0357 27.3848 27.3848 k = 0.5000 0.0352 0.1033 ( 800 PWs) bands (ev): -17.5546 -17.5546 -7.8411 -7.8411 2.2282 2.2282 2.4473 2.4473 23.9753 23.9753 26.1187 26.1187 27.3598 27.3598 k = 0.5000 0.0313 0.1033 ( 800 PWs) bands (ev): -17.5550 -17.5550 -7.8431 -7.8431 2.2275 2.2275 2.4530 2.4530 23.9564 23.9564 26.1968 26.1968 27.3373 27.3373 k = 0.5000 0.0274 0.1033 ( 802 PWs) bands (ev): -17.5554 -17.5554 -7.8448 -7.8448 2.2268 2.2268 2.4582 2.4582 23.9396 23.9396 26.2689 26.2689 27.3175 27.3175 k = 0.5000 0.0235 0.1033 ( 802 PWs) bands (ev): -17.5558 -17.5558 -7.8463 -7.8463 2.2262 2.2262 2.4627 2.4627 23.9251 23.9251 26.3341 26.3341 27.3004 27.3004 k = 0.5000 0.0196 0.1033 ( 796 PWs) bands (ev): -17.5561 -17.5561 -7.8475 -7.8475 2.2258 2.2258 2.4667 2.4667 23.9128 23.9128 26.3915 26.3915 27.2859 27.2859 k = 0.5000 0.0156 0.1033 ( 796 PWs) bands (ev): -17.5564 -17.5564 -7.8486 -7.8486 2.2254 2.2254 2.4699 2.4699 23.9028 23.9028 26.4400 26.4400 27.2740 27.2740 k = 0.5000 0.0117 0.1033 ( 790 PWs) bands (ev): -17.5565 -17.5565 -7.8494 -7.8494 2.2251 2.2251 2.4725 2.4725 23.8949 23.8949 26.4789 26.4789 27.2647 27.2647 k = 0.5000 0.0078 0.1033 ( 790 PWs) bands (ev): -17.5567 -17.5567 -7.8500 -7.8500 2.2249 2.2249 2.4743 2.4743 23.8893 23.8893 26.5073 26.5073 27.2581 27.2581 k = 0.5000 0.0039 0.1033 ( 788 PWs) bands (ev): -17.5568 -17.5568 -7.8503 -7.8503 2.2248 2.2248 2.4755 2.4755 23.8859 23.8859 26.5246 26.5246 27.2542 27.2542 k = 0.5000-0.0000 0.1033 ( 788 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2247 2.2247 2.4758 2.4758 23.8848 23.8848 26.5304 26.5304 27.2529 27.2529 k = 0.5000-0.0000 0.1033 ( 788 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2247 2.2247 2.4758 2.4758 23.8848 23.8848 26.5304 26.5304 27.2529 27.2529 k = 0.5000-0.0000 0.0994 ( 788 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2247 2.2247 2.4758 2.4758 23.8858 23.8858 26.5274 26.5274 27.2493 27.2493 k = 0.5000-0.0000 0.0954 ( 786 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2247 2.2247 2.4758 2.4758 23.8887 23.8887 26.5184 26.5184 27.2387 27.2387 k = 0.5000-0.0000 0.0914 ( 786 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2248 2.2248 2.4758 2.4758 23.8936 23.8936 26.5037 26.5037 27.2219 27.2219 k = 0.5000-0.0000 0.0874 ( 788 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2247 2.2247 2.4758 2.4758 23.9004 23.9004 26.4834 26.4834 27.1999 27.1999 k = 0.5000-0.0000 0.0835 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 23.9091 23.9091 26.4580 26.4580 27.1737 27.1737 k = 0.5000-0.0000 0.0795 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2248 2.2248 2.4758 2.4758 23.9196 23.9196 26.4278 26.4278 27.1444 27.1444 k = 0.5000-0.0000 0.0755 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2248 2.2248 2.4758 2.4758 23.9318 23.9318 26.3934 26.3934 27.1132 27.1132 k = 0.5000-0.0000 0.0715 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2248 2.2248 2.4758 2.4758 23.9457 23.9457 26.3552 26.3552 27.0807 27.0807 k = 0.5000-0.0000 0.0676 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2248 2.2248 2.4758 2.4758 23.9611 23.9611 26.3140 26.3140 27.0478 27.0478 k = 0.5000-0.0000 0.0636 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 23.9780 23.9780 26.2701 26.2701 27.0149 27.0149 k = 0.5000-0.0000 0.0596 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 23.9962 23.9962 26.2243 26.2243 26.9827 26.9827 k = 0.5000-0.0000 0.0556 ( 782 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 24.0155 24.0155 26.1772 26.1772 26.9514 26.9514 k = 0.5000-0.0000 0.0517 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 24.0357 24.0357 26.1292 26.1292 26.9214 26.9214 k = 0.5000-0.0000 0.0477 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 24.0566 24.0566 26.0812 26.0812 26.8929 26.8929 k = 0.5000-0.0000 0.0437 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 24.0781 24.0781 26.0335 26.0335 26.8662 26.8662 k = 0.5000-0.0000 0.0397 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 24.0997 24.0997 25.9870 25.9870 26.8413 26.8413 k = 0.5000-0.0000 0.0358 ( 786 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2248 2.2248 2.4758 2.4758 24.1211 24.1211 25.9422 25.9422 26.8185 26.8185 k = 0.5000-0.0000 0.0318 ( 786 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 24.1421 24.1421 25.8997 25.8997 26.7978 26.7978 k = 0.5000-0.0000 0.0278 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 24.1621 24.1621 25.8601 25.8601 26.7794 26.7794 k = 0.5000-0.0000 0.0238 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 24.1807 24.1807 25.8241 25.8241 26.7633 26.7633 k = 0.5000-0.0000 0.0199 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 24.1975 24.1975 25.7923 25.7923 26.7496 26.7496 k = 0.5000-0.0000 0.0159 ( 784 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2249 2.2249 2.4758 2.4758 24.2121 24.2121 25.7653 25.7653 26.7383 26.7383 k = 0.5000-0.0000 0.0119 ( 788 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2248 2.2248 2.4757 2.4757 24.2239 24.2239 25.7437 25.7437 26.7295 26.7295 k = 0.5000-0.0000 0.0079 ( 788 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2248 2.2248 2.4757 2.4757 24.2327 24.2327 25.7278 25.7278 26.7232 26.7232 k = 0.5000-0.0000 0.0040 ( 788 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2248 2.2248 2.4757 2.4757 24.2381 24.2381 25.7182 25.7182 26.7194 26.7194 k = 0.5000-0.0000-0.0000 ( 786 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2248 2.2248 2.4757 2.4757 24.2400 24.2400 25.7149 25.7149 26.7181 26.7181 k = 0.0000 0.0000 0.1033 ( 830 PWs) bands (ev): -29.2670 -29.2670 -10.3310 -10.3310 -9.4956 -9.4956 3.7305 3.7305 4.2751 4.2751 10.6391 10.6391 12.8391 12.8391 k = 0.0040-0.0000 0.1033 ( 830 PWs) bands (ev): -29.2660 -29.2660 -10.3297 -10.3297 -9.4944 -9.4944 3.7320 3.7320 4.2764 4.2764 10.6405 10.6405 12.8405 12.8405 k = 0.0079-0.0000 0.1033 ( 832 PWs) bands (ev): -29.2629 -29.2629 -10.3259 -10.3259 -9.4907 -9.4907 3.7365 3.7365 4.2804 4.2804 10.6448 10.6448 12.8447 12.8447 k = 0.0119-0.0000 0.1033 ( 832 PWs) bands (ev): -29.2579 -29.2579 -10.3196 -10.3196 -9.4845 -9.4845 3.7439 3.7439 4.2871 4.2871 10.6518 10.6518 12.8519 12.8519 k = 0.0159-0.0000 0.1033 ( 832 PWs) bands (ev): -29.2509 -29.2509 -10.3108 -10.3108 -9.4759 -9.4759 3.7543 3.7543 4.2964 4.2964 10.6618 10.6618 12.8618 12.8618 k = 0.0198-0.0000 0.1033 ( 834 PWs) bands (ev): -29.2419 -29.2419 -10.2994 -10.2994 -9.4648 -9.4648 3.7677 3.7677 4.3084 4.3084 10.6745 10.6745 12.8746 12.8746 k = 0.0238-0.0000 0.1033 ( 834 PWs) bands (ev): -29.2308 -29.2308 -10.2855 -10.2855 -9.4513 -9.4513 3.7841 3.7841 4.3231 4.3231 10.6901 10.6901 12.8903 12.8903 k = 0.0278-0.0000 0.1033 ( 832 PWs) bands (ev): -29.2178 -29.2178 -10.2690 -10.2690 -9.4353 -9.4353 3.8034 3.8034 4.3404 4.3404 10.7085 10.7085 12.9088 12.9088 k = 0.0317-0.0000 0.1033 ( 834 PWs) bands (ev): -29.2027 -29.2027 -10.2501 -10.2501 -9.4169 -9.4169 3.8257 3.8257 4.3603 4.3603 10.7297 10.7297 12.9302 12.9302 k = 0.0357-0.0000 0.1033 ( 834 PWs) bands (ev): -29.1857 -29.1857 -10.2286 -10.2286 -9.3960 -9.3960 3.8510 3.8510 4.3829 4.3829 10.7537 10.7537 12.9544 12.9544 k = 0.0397-0.0000 0.1033 ( 834 PWs) bands (ev): -29.1666 -29.1666 -10.2046 -10.2046 -9.3727 -9.3727 3.8793 3.8793 4.4081 4.4081 10.7805 10.7805 12.9814 12.9814 k = 0.0437-0.0000 0.1033 ( 832 PWs) bands (ev): -29.1456 -29.1456 -10.1781 -10.1781 -9.3469 -9.3469 3.9105 3.9105 4.4359 4.4359 10.8100 10.8100 13.0113 13.0113 k = 0.0476-0.0000 0.1033 ( 834 PWs) bands (ev): -29.1225 -29.1225 -10.1491 -10.1491 -9.3187 -9.3187 3.9447 3.9447 4.4664 4.4664 10.8424 10.8424 13.0440 13.0440 k = 0.0516-0.0000 0.1033 ( 834 PWs) bands (ev): -29.0975 -29.0975 -10.1176 -10.1176 -9.2880 -9.2880 3.9819 3.9819 4.4994 4.4994 10.8774 10.8774 13.0796 13.0796 k = 0.0556-0.0000 0.1033 ( 836 PWs) bands (ev): -29.0704 -29.0704 -10.0835 -10.0835 -9.2549 -9.2549 4.0220 4.0220 4.5350 4.5350 10.9152 10.9152 13.1180 13.1180 k = 0.0595-0.0000 0.1033 ( 834 PWs) bands (ev): -29.0413 -29.0413 -10.0470 -10.0470 -9.2194 -9.2194 4.0651 4.0651 4.5732 4.5732 10.9558 10.9558 13.1592 13.1592 k = 0.0635-0.0000 0.1033 ( 834 PWs) bands (ev): -29.0103 -29.0103 -10.0080 -10.0080 -9.1815 -9.1815 4.1112 4.1112 4.6140 4.6140 10.9989 10.9989 13.2033 13.2033 k = 0.0675-0.0000 0.1033 ( 836 PWs) bands (ev): -28.9773 -28.9773 -9.9665 -9.9665 -9.1411 -9.1411 4.1603 4.1603 4.6573 4.6573 11.0448 11.0448 13.2502 13.2502 k = 0.0714-0.0000 0.1033 ( 840 PWs) bands (ev): -28.9423 -28.9423 -9.9225 -9.9225 -9.0983 -9.0983 4.2123 4.2123 4.7031 4.7031 11.0932 11.0932 13.2999 13.2999 k = 0.0754-0.0000 0.1033 ( 838 PWs) bands (ev): -28.9053 -28.9053 -9.8760 -9.8760 -9.0531 -9.0531 4.2673 4.2673 4.7513 4.7513 11.1442 11.1442 13.3525 13.3525 k = 0.0794-0.0000 0.1033 ( 838 PWs) bands (ev): -28.8663 -28.8663 -9.8271 -9.8271 -9.0056 -9.0056 4.3253 4.3253 4.8021 4.8021 11.1977 11.1977 13.4078 13.4078 k = 0.0833-0.0000 0.1033 ( 836 PWs) bands (ev): -28.8253 -28.8253 -9.7756 -9.7756 -8.9556 -8.9556 4.3862 4.3862 4.8553 4.8553 11.2537 11.2537 13.4660 13.4660 k = 0.0873-0.0000 0.1033 ( 832 PWs) bands (ev): -28.7824 -28.7824 -9.7218 -9.7218 -8.9032 -8.9032 4.4501 4.4501 4.9109 4.9109 11.3120 11.3120 13.5270 13.5270 k = 0.0913-0.0000 0.1033 ( 834 PWs) bands (ev): -28.7374 -28.7374 -9.6654 -9.6654 -8.8485 -8.8485 4.5170 4.5170 4.9688 4.9688 11.3726 11.3726 13.5908 13.5908 k = 0.0952-0.0000 0.1033 ( 832 PWs) bands (ev): -28.6906 -28.6906 -9.6067 -9.6067 -8.7914 -8.7914 4.5868 4.5868 5.0290 5.0290 11.4354 11.4354 13.6575 13.6575 k = 0.0992-0.0000 0.1033 ( 832 PWs) bands (ev): -28.6417 -28.6417 -9.5455 -9.5455 -8.7319 -8.7319 4.6596 4.6596 5.0915 5.0915 11.5002 11.5002 13.7269 13.7269 k = 0.1032-0.0000 0.1033 ( 834 PWs) bands (ev): -28.5909 -28.5909 -9.4818 -9.4818 -8.6701 -8.6701 4.7354 4.7354 5.1563 5.1563 11.5669 11.5669 13.7991 13.7991 k = 0.1071-0.0000 0.1033 ( 836 PWs) bands (ev): -28.5381 -28.5381 -9.4158 -9.4158 -8.6060 -8.6060 4.8141 4.8141 5.2231 5.2231 11.6352 11.6352 13.8741 13.8741 k = 0.1111-0.0000 0.1033 ( 836 PWs) bands (ev): -28.4834 -28.4834 -9.3473 -9.3473 -8.5395 -8.5395 4.8958 4.8958 5.2921 5.2921 11.7049 11.7049 13.9519 13.9519 k = 0.1151-0.0000 0.1033 ( 832 PWs) bands (ev): -28.4266 -28.4266 -9.2765 -9.2765 -8.4707 -8.4707 4.9804 4.9804 5.3630 5.3630 11.7756 11.7756 14.0325 14.0325 k = 0.1190-0.0000 0.1033 ( 834 PWs) bands (ev): -28.3680 -28.3680 -9.2032 -9.2032 -8.3996 -8.3996 5.0680 5.0680 5.4358 5.4358 11.8469 11.8469 14.1159 14.1159 k = 0.1230-0.0000 0.1033 ( 834 PWs) bands (ev): -28.3074 -28.3074 -9.1276 -9.1276 -8.3262 -8.3262 5.1585 5.1585 5.5105 5.5105 11.9181 11.9181 14.2020 14.2020 k = 0.1270-0.0000 0.1033 ( 830 PWs) bands (ev): -28.2449 -28.2449 -9.0496 -9.0496 -8.2505 -8.2505 5.2520 5.2520 5.5867 5.5867 11.9886 11.9886 14.2910 14.2910 k = 0.1310-0.0000 0.1033 ( 830 PWs) bands (ev): -28.1804 -28.1804 -8.9693 -8.9693 -8.1725 -8.1725 5.3485 5.3485 5.6646 5.6646 12.0571 12.0571 14.3826 14.3826 k = 0.1349-0.0000 0.1033 ( 830 PWs) bands (ev): -28.1140 -28.1140 -8.8866 -8.8866 -8.0923 -8.0923 5.4479 5.4479 5.7437 5.7437 12.1223 12.1223 14.4770 14.4770 k = 0.1389-0.0000 0.1033 ( 830 PWs) bands (ev): -28.0457 -28.0457 -8.8016 -8.8016 -8.0098 -8.0098 5.5502 5.5502 5.8240 5.8240 12.1822 12.1822 14.5741 14.5741 k = 0.1429-0.0000 0.1033 ( 832 PWs) bands (ev): -27.9755 -27.9755 -8.7142 -8.7142 -7.9251 -7.9251 5.6555 5.6555 5.9053 5.9053 12.2339 12.2339 14.6643 14.6643 k = 0.1468-0.0000 0.1033 ( 834 PWs) bands (ev): -27.9033 -27.9033 -8.6246 -8.6246 -7.8382 -7.8382 5.7638 5.7638 5.9872 5.9872 12.2739 12.2739 14.5027 14.5027 k = 0.1508-0.0000 0.1033 ( 834 PWs) bands (ev): -27.8293 -27.8293 -8.5327 -8.5327 -7.7491 -7.7491 5.8750 5.8750 6.0694 6.0694 12.2975 12.2975 14.3555 14.3555 k = 0.1548-0.0000 0.1033 ( 834 PWs) bands (ev): -27.7534 -27.7534 -8.4385 -8.4385 -7.6578 -7.6578 5.9891 5.9891 6.1515 6.1515 12.2992 12.2992 14.2332 14.2332 k = 0.1587-0.0000 0.1033 ( 834 PWs) bands (ev): -27.6755 -27.6755 -8.3421 -8.3421 -7.5644 -7.5644 6.1062 6.1062 6.2332 6.2332 12.2739 12.2739 14.1414 14.1414 k = 0.1627-0.0000 0.1033 ( 834 PWs) bands (ev): -27.5958 -27.5958 -8.2435 -8.2435 -7.4688 -7.4688 6.2262 6.2262 6.3138 6.3138 12.2183 12.2183 14.0844 14.0844 k = 0.1667-0.0000 0.1033 ( 836 PWs) bands (ev): -27.5142 -27.5142 -8.1426 -8.1426 -7.3711 -7.3711 6.3491 6.3491 6.3926 6.3926 12.1322 12.1322 14.0627 14.0627 k = 0.1706-0.0000 0.1033 ( 836 PWs) bands (ev): -27.4307 -27.4307 -8.0395 -8.0395 -7.2713 -7.2713 6.4685 6.4685 6.4754 6.4754 12.0194 12.0194 14.0740 14.0740 k = 0.1746-0.0000 0.1033 ( 836 PWs) bands (ev): -27.3454 -27.3454 -7.9343 -7.9343 -7.1694 -7.1694 6.5416 6.5416 6.6039 6.6039 11.8859 11.8859 14.1133 14.1133 k = 0.1786-0.0000 0.1033 ( 836 PWs) bands (ev): -27.2582 -27.2582 -7.8269 -7.8269 -7.0654 -7.0654 6.6097 6.6097 6.7356 6.7356 11.7381 11.7381 14.1753 14.1753 k = 0.1825-0.0000 0.1033 ( 836 PWs) bands (ev): -27.1691 -27.1691 -7.7173 -7.7173 -6.9594 -6.9594 6.6718 6.6718 6.8702 6.8702 11.5822 11.5822 14.2554 14.2554 k = 0.1865-0.0000 0.1033 ( 834 PWs) bands (ev): -27.0782 -27.0782 -7.6057 -7.6057 -6.8513 -6.8513 6.7261 6.7261 7.0078 7.0078 11.4239 11.4239 14.3498 14.3498 k = 0.1905-0.0000 0.1033 ( 832 PWs) bands (ev): -26.9854 -26.9854 -7.4919 -7.4919 -6.7413 -6.7413 6.7708 6.7708 7.1483 7.1483 11.2680 11.2680 14.4558 14.4558 k = 0.1944-0.0000 0.1033 ( 832 PWs) bands (ev): -26.8909 -26.8909 -7.3761 -7.3761 -6.6293 -6.6293 6.8036 6.8036 7.2917 7.2917 11.1188 11.1188 14.5713 14.5713 k = 0.1984-0.0000 0.1033 ( 828 PWs) bands (ev): -26.7945 -26.7945 -7.2582 -7.2582 -6.5154 -6.5154 6.8221 6.8221 7.4380 7.4380 10.9805 10.9805 14.6947 14.6947 k = 0.2024-0.0000 0.1033 ( 826 PWs) bands (ev): -26.6963 -26.6963 -7.1383 -7.1383 -6.3996 -6.3996 6.8238 6.8238 7.5872 7.5872 10.8568 10.8568 14.8250 14.8250 k = 0.2063-0.0000 0.1033 ( 828 PWs) bands (ev): -26.5964 -26.5964 -7.0165 -7.0165 -6.2818 -6.2818 6.8060 6.8060 7.7394 7.7394 10.7510 10.7510 14.9613 14.9613 k = 0.2103-0.0000 0.1033 ( 828 PWs) bands (ev): -26.4946 -26.4946 -6.8927 -6.8927 -6.1622 -6.1622 6.7668 6.7668 7.8944 7.8944 10.6663 10.6663 15.1030 15.1030 k = 0.2143-0.0000 0.1033 ( 828 PWs) bands (ev): -26.3911 -26.3911 -6.7669 -6.7669 -6.0409 -6.0409 6.7045 6.7045 8.0523 8.0523 10.6046 10.6046 15.2497 15.2497 k = 0.2183-0.0000 0.1033 ( 828 PWs) bands (ev): -26.2859 -26.2859 -6.6393 -6.6393 -5.9177 -5.9177 6.6185 6.6185 8.2131 8.2131 10.5671 10.5671 15.4010 15.4010 k = 0.2222-0.0000 0.1033 ( 828 PWs) bands (ev): -26.1788 -26.1788 -6.5098 -6.5098 -5.7927 -5.7927 6.5090 6.5090 8.3768 8.3768 10.5539 10.5539 15.5566 15.5566 k = 0.2262-0.0000 0.1033 ( 824 PWs) bands (ev): -26.0700 -26.0700 -6.3785 -6.3785 -5.6660 -5.6660 6.3771 6.3771 8.5434 8.5434 10.5645 10.5645 15.7163 15.7163 k = 0.2302-0.0000 0.1033 ( 824 PWs) bands (ev): -25.9596 -25.9596 -6.2453 -6.2453 -5.5377 -5.5377 6.2244 6.2244 8.7128 8.7128 10.5971 10.5971 15.8799 15.8799 k = 0.2341-0.0000 0.1033 ( 826 PWs) bands (ev): -25.8474 -25.8474 -6.1105 -6.1105 -5.4077 -5.4077 6.0530 6.0530 8.8851 8.8851 10.6501 10.6501 16.0474 16.0474 k = 0.2381-0.0000 0.1033 ( 824 PWs) bands (ev): -25.7335 -25.7335 -5.9739 -5.9739 -5.2761 -5.2761 5.8655 5.8655 9.0603 9.0603 10.7213 10.7213 16.2184 16.2184 k = 0.2421-0.0000 0.1033 ( 820 PWs) bands (ev): -25.6180 -25.6180 -5.8356 -5.8356 -5.1430 -5.1430 5.6638 5.6638 9.2383 9.2383 10.8086 10.8086 16.3931 16.3931 k = 0.2460-0.0000 0.1033 ( 820 PWs) bands (ev): -25.5008 -25.5008 -5.6957 -5.6957 -5.0083 -5.0083 5.4502 5.4502 9.4192 9.4192 10.9102 10.9102 16.5712 16.5712 k = 0.2500-0.0000 0.1033 ( 824 PWs) bands (ev): -25.3820 -25.3820 -5.5542 -5.5542 -4.8722 -4.8722 5.2262 5.2262 9.6029 9.6029 11.0243 11.0243 16.7528 16.7528 k = 0.2540-0.0000 0.1033 ( 824 PWs) bands (ev): -25.2615 -25.2615 -5.4112 -5.4112 -4.7346 -4.7346 4.9938 4.9938 9.7895 9.7895 11.1496 11.1496 16.9377 16.9377 k = 0.2579-0.0000 0.1033 ( 824 PWs) bands (ev): -25.1395 -25.1395 -5.2666 -5.2666 -4.5956 -4.5956 4.7543 4.7543 9.9788 9.9788 11.2846 11.2846 17.1260 17.1260 k = 0.2619-0.0000 0.1033 ( 824 PWs) bands (ev): -25.0158 -25.0158 -5.1207 -5.1207 -4.4554 -4.4554 4.5088 4.5088 10.1710 10.1710 11.4285 11.4285 17.3175 17.3175 k = 0.2659-0.0000 0.1033 ( 822 PWs) bands (ev): -24.8906 -24.8906 -4.9733 -4.9733 -4.3138 -4.3138 4.2583 4.2583 10.3660 10.3660 11.5802 11.5802 17.5123 17.5123 k = 0.2698-0.0000 0.1033 ( 822 PWs) bands (ev): -24.7639 -24.7639 -4.8246 -4.8246 -4.1711 -4.1711 4.0036 4.0036 10.5638 10.5638 11.7391 11.7391 17.7103 17.7103 k = 0.2738-0.0000 0.1033 ( 822 PWs) bands (ev): -24.6356 -24.6356 -4.6746 -4.6746 -4.0272 -4.0272 3.7456 3.7456 10.7644 10.7644 11.9045 11.9045 17.9115 17.9115 k = 0.2778-0.0000 0.1033 ( 820 PWs) bands (ev): -24.5059 -24.5059 -4.5234 -4.5234 -3.8822 -3.8822 3.4847 3.4847 10.9678 10.9678 12.0760 12.0760 18.1159 18.1159 k = 0.2817-0.0000 0.1033 ( 820 PWs) bands (ev): -24.3746 -24.3746 -4.3710 -4.3710 -3.7362 -3.7362 3.2215 3.2215 11.1739 11.1739 12.2531 12.2531 18.3234 18.3234 k = 0.2857-0.0000 0.1033 ( 820 PWs) bands (ev): -24.2420 -24.2420 -4.2176 -4.2176 -3.5892 -3.5892 2.9565 2.9565 11.3828 11.3828 12.4354 12.4354 18.5341 18.5341 k = 0.2897-0.0000 0.1033 ( 820 PWs) bands (ev): -24.1079 -24.1079 -4.0631 -4.0631 -3.4414 -3.4414 2.6900 2.6900 11.5944 11.5944 12.6226 12.6226 18.7479 18.7479 k = 0.2937-0.0000 0.1033 ( 820 PWs) bands (ev): -23.9724 -23.9724 -3.9077 -3.9077 -3.2927 -3.2927 2.4224 2.4224 11.8087 11.8087 12.8146 12.8146 18.9648 18.9648 k = 0.2976-0.0000 0.1033 ( 820 PWs) bands (ev): -23.8356 -23.8356 -3.7514 -3.7514 -3.1432 -3.1432 2.1541 2.1541 12.0258 12.0258 13.0110 13.0110 19.1848 19.1848 k = 0.3016-0.0000 0.1033 ( 818 PWs) bands (ev): -23.6975 -23.6975 -3.5944 -3.5944 -2.9931 -2.9931 1.8852 1.8852 12.2455 12.2455 13.2116 13.2116 19.4079 19.4079 k = 0.3056-0.0000 0.1033 ( 818 PWs) bands (ev): -23.5581 -23.5581 -3.4366 -3.4366 -2.8424 -2.8424 1.6161 1.6161 12.4679 12.4679 13.4164 13.4164 19.6340 19.6340 k = 0.3095-0.0000 0.1033 ( 818 PWs) bands (ev): -23.4174 -23.4174 -3.2781 -3.2781 -2.6913 -2.6913 1.3468 1.3468 12.6930 12.6930 13.6251 13.6251 19.8632 19.8632 k = 0.3135-0.0000 0.1033 ( 818 PWs) bands (ev): -23.2755 -23.2755 -3.1192 -3.1192 -2.5397 -2.5397 1.0778 1.0778 12.9207 12.9207 13.8376 13.8376 20.0955 20.0955 k = 0.3175-0.0000 0.1033 ( 818 PWs) bands (ev): -23.1325 -23.1325 -2.9598 -2.9598 -2.3877 -2.3877 0.8091 0.8091 13.1510 13.1510 14.0539 14.0539 20.3308 20.3308 k = 0.3214-0.0000 0.1033 ( 818 PWs) bands (ev): -22.9883 -22.9883 -2.8000 -2.8000 -2.2356 -2.2356 0.5409 0.5409 13.3839 13.3839 14.2739 14.2739 20.5691 20.5691 k = 0.3254-0.0000 0.1033 ( 820 PWs) bands (ev): -22.8431 -22.8431 -2.6400 -2.6400 -2.0834 -2.0834 0.2735 0.2735 13.6194 13.6194 14.4974 14.4974 20.8105 20.8105 k = 0.3294-0.0000 0.1033 ( 820 PWs) bands (ev): -22.6969 -22.6969 -2.4799 -2.4799 -1.9310 -1.9310 0.0068 0.0068 13.8574 13.8574 14.7243 14.7243 21.0550 21.0550 k = 0.3333-0.0000 0.1033 ( 822 PWs) bands (ev): -22.5497 -22.5497 -2.3198 -2.3198 -1.7789 -1.7789 -0.2588 -0.2588 14.0979 14.0979 14.9547 14.9547 21.3024 21.3024 k = 0.3373-0.0000 0.1033 ( 820 PWs) bands (ev): -22.4016 -22.4016 -2.1597 -2.1597 -1.6269 -1.6269 -0.5233 -0.5233 14.3409 14.3409 15.1885 15.1885 21.5529 21.5529 k = 0.3413-0.0000 0.1033 ( 816 PWs) bands (ev): -22.2527 -22.2527 -1.9998 -1.9998 -1.4753 -1.4753 -0.7863 -0.7863 14.5863 14.5863 15.4256 15.4256 21.8063 21.8063 k = 0.3452-0.0000 0.1033 ( 814 PWs) bands (ev): -22.1030 -22.1030 -1.8403 -1.8403 -1.3243 -1.3243 -1.0478 -1.0478 14.8341 14.8341 15.6660 15.6660 22.0628 22.0628 k = 0.3492-0.0000 0.1033 ( 814 PWs) bands (ev): -21.9526 -21.9526 -1.6814 -1.6814 -1.3093 -1.3093 -1.1722 -1.1722 15.0843 15.0843 15.9095 15.9095 22.3222 22.3222 k = 0.3532-0.0000 0.1033 ( 814 PWs) bands (ev): -21.8016 -21.8016 -1.5703 -1.5703 -1.5197 -1.5197 -1.0230 -1.0230 15.3368 15.3368 16.1563 16.1563 22.5847 22.5847 k = 0.3571-0.0000 0.1033 ( 814 PWs) bands (ev): -21.6501 -21.6501 -1.8242 -1.8242 -1.3646 -1.3646 -0.8740 -0.8740 15.5915 15.5915 16.4062 16.4062 22.8501 22.8501 k = 0.3611-0.0000 0.1033 ( 812 PWs) bands (ev): -21.4981 -21.4981 -2.0787 -2.0787 -1.2079 -1.2079 -0.7259 -0.7259 15.8484 15.8484 16.6592 16.6592 23.1186 23.1186 k = 0.3651-0.0000 0.1033 ( 808 PWs) bands (ev): -21.3458 -21.3458 -2.3311 -2.3311 -1.0522 -1.0522 -0.5789 -0.5789 16.1075 16.1075 16.9153 16.9153 23.3899 23.3899 k = 0.3690-0.0000 0.1033 ( 808 PWs) bands (ev): -21.1933 -21.1933 -2.5813 -2.5813 -0.8976 -0.8976 -0.4332 -0.4332 16.3686 16.3686 17.1745 17.1745 23.6643 23.6643 k = 0.3730-0.0000 0.1033 ( 810 PWs) bands (ev): -21.0406 -21.0406 -2.8291 -2.8291 -0.7445 -0.7445 -0.2889 -0.2889 16.6318 16.6318 17.4367 17.4367 23.9416 23.9416 k = 0.3770-0.0000 0.1033 ( 806 PWs) bands (ev): -20.8879 -20.8879 -3.0742 -3.0742 -0.5929 -0.5929 -0.1461 -0.1461 16.8968 16.8968 17.7018 17.7018 24.2219 24.2219 k = 0.3810-0.0000 0.1033 ( 810 PWs) bands (ev): -20.7354 -20.7354 -3.3166 -3.3166 -0.4430 -0.4430 -0.0052 -0.0052 17.1636 17.1636 17.9700 17.9700 24.5051 24.5051 k = 0.3849-0.0000 0.1033 ( 810 PWs) bands (ev): -20.5831 -20.5831 -3.5560 -3.5560 -0.2950 -0.2950 0.1338 0.1338 17.4321 17.4321 18.2411 18.2411 24.7912 24.7912 k = 0.3889-0.0000 0.1033 ( 808 PWs) bands (ev): -20.4313 -20.4313 -3.7923 -3.7923 -0.1490 -0.1490 0.2707 0.2707 17.7023 17.7023 18.5151 18.5151 25.0728 25.0728 k = 0.3929-0.0000 0.1033 ( 806 PWs) bands (ev): -20.2801 -20.2801 -4.0252 -4.0252 -0.0055 -0.0055 0.4053 0.4053 17.9738 17.9738 18.7920 18.7920 25.2461 25.2461 k = 0.3968-0.0000 0.1033 ( 802 PWs) bands (ev): -20.1296 -20.1296 -4.2546 -4.2546 0.1357 0.1357 0.5374 0.5374 18.2467 18.2467 19.0718 19.0718 25.4139 25.4139 k = 0.4008-0.0000 0.1033 ( 802 PWs) bands (ev): -19.9802 -19.9802 -4.4802 -4.4802 0.2741 0.2741 0.6669 0.6669 18.5207 18.5207 19.3544 19.3544 25.5754 25.5754 k = 0.4048-0.0000 0.1033 ( 798 PWs) bands (ev): -19.8319 -19.8319 -4.7017 -4.7017 0.4096 0.4096 0.7934 0.7934 18.7956 18.7956 19.6398 19.6398 25.7302 25.7302 k = 0.4087-0.0000 0.1033 ( 798 PWs) bands (ev): -19.6851 -19.6851 -4.9190 -4.9190 0.5419 0.5419 0.9170 0.9170 19.0712 19.0712 19.9280 19.9280 25.8775 25.8775 k = 0.4127-0.0000 0.1033 ( 796 PWs) bands (ev): -19.5400 -19.5400 -5.1318 -5.1318 0.6709 0.6709 1.0373 1.0373 19.3473 19.3473 20.2189 20.2189 26.0168 26.0168 k = 0.4167-0.0000 0.1033 ( 794 PWs) bands (ev): -19.3968 -19.3968 -5.3397 -5.3397 0.7964 0.7964 1.1542 1.1542 19.6235 19.6235 20.5126 20.5126 26.1476 26.1476 k = 0.4206-0.0000 0.1033 ( 794 PWs) bands (ev): -19.2559 -19.2559 -5.5424 -5.5424 0.9180 0.9180 1.2673 1.2673 19.8996 19.8996 20.8089 20.8089 26.2694 26.2694 k = 0.4246-0.0000 0.1033 ( 792 PWs) bands (ev): -19.1176 -19.1176 -5.7397 -5.7397 1.0356 1.0356 1.3766 1.3766 20.1751 20.1751 21.1078 21.1078 26.3819 26.3819 k = 0.4286-0.0000 0.1033 ( 792 PWs) bands (ev): -18.9822 -18.9822 -5.9311 -5.9311 1.1489 1.1489 1.4819 1.4819 20.4496 20.4496 21.4092 21.4092 26.4849 26.4849 k = 0.4325-0.0000 0.1033 ( 792 PWs) bands (ev): -18.8501 -18.8501 -6.1162 -6.1162 1.2578 1.2578 1.5829 1.5829 20.7225 20.7225 21.7132 21.7132 26.5784 26.5784 k = 0.4365-0.0000 0.1033 ( 790 PWs) bands (ev): -18.7217 -18.7217 -6.2947 -6.2947 1.3619 1.3619 1.6795 1.6795 20.9932 20.9932 22.0195 22.0195 26.6626 26.6626 k = 0.4405-0.0000 0.1033 ( 790 PWs) bands (ev): -18.5974 -18.5974 -6.4662 -6.4662 1.4611 1.4611 1.7713 1.7713 21.2611 21.2611 22.3281 22.3281 26.7377 26.7377 k = 0.4444-0.0000 0.1033 ( 792 PWs) bands (ev): -18.4776 -18.4776 -6.6301 -6.6301 1.5552 1.5552 1.8583 1.8583 21.5252 21.5252 22.6389 22.6389 26.8044 26.8044 k = 0.4484-0.0000 0.1033 ( 790 PWs) bands (ev): -18.3629 -18.3629 -6.7859 -6.7859 1.6438 1.6438 1.9403 1.9403 21.7846 21.7846 22.9517 22.9517 26.8633 26.8633 k = 0.4524-0.0000 0.1033 ( 788 PWs) bands (ev): -18.2536 -18.2536 -6.9333 -6.9333 1.7269 1.7269 2.0170 2.0170 22.0380 22.0380 23.2663 23.2663 26.9153 26.9153 k = 0.4563-0.0000 0.1033 ( 786 PWs) bands (ev): -18.1504 -18.1504 -7.0716 -7.0716 1.8042 1.8042 2.0883 2.0883 22.2841 22.2841 23.5824 23.5824 26.9614 26.9614 k = 0.4603-0.0000 0.1033 ( 788 PWs) bands (ev): -18.0538 -18.0538 -7.2003 -7.2003 1.8755 1.8755 2.1541 2.1541 22.5212 22.5212 23.8997 23.8997 27.0026 27.0026 k = 0.4643-0.0000 0.1033 ( 786 PWs) bands (ev): -17.9643 -17.9643 -7.3189 -7.3189 1.9406 1.9406 2.2141 2.2141 22.7475 22.7475 24.2176 24.2176 27.0400 27.0400 k = 0.4683-0.0000 0.1033 ( 788 PWs) bands (ev): -17.8823 -17.8823 -7.4268 -7.4268 1.9993 1.9993 2.2682 2.2682 22.9608 22.9608 24.5354 24.5354 27.0745 27.0745 k = 0.4722-0.0000 0.1033 ( 786 PWs) bands (ev): -17.8085 -17.8085 -7.5236 -7.5236 2.0516 2.0516 2.3164 2.3164 23.1586 23.1586 24.8520 24.8520 27.1069 27.1069 k = 0.4762-0.0000 0.1033 ( 786 PWs) bands (ev): -17.7434 -17.7434 -7.6086 -7.6086 2.0971 2.0971 2.3583 2.3583 23.3383 23.3383 25.1656 25.1656 27.1377 27.1377 k = 0.4802-0.0000 0.1033 ( 784 PWs) bands (ev): -17.6874 -17.6874 -7.6815 -7.6815 2.1358 2.1358 2.3941 2.3941 23.4972 23.4972 25.4734 25.4734 27.1668 27.1668 k = 0.4841-0.0000 0.1033 ( 784 PWs) bands (ev): -17.6409 -17.6409 -7.7418 -7.7418 2.1677 2.1677 2.4234 2.4234 23.6322 23.6322 25.7706 25.7706 27.1939 27.1939 k = 0.4881-0.0000 0.1033 ( 786 PWs) bands (ev): -17.6043 -17.6043 -7.7891 -7.7891 2.1926 2.1926 2.4463 2.4463 23.7406 23.7406 26.0482 26.0482 27.2176 27.2176 k = 0.4921-0.0000 0.1033 ( 786 PWs) bands (ev): -17.5780 -17.5780 -7.8231 -7.8231 2.2104 2.2104 2.4627 2.4627 23.8200 23.8200 26.2895 26.2895 27.2364 27.2364 k = 0.4960-0.0000 0.1033 ( 786 PWs) bands (ev): -17.5621 -17.5621 -7.8436 -7.8436 2.2212 2.2212 2.4725 2.4725 23.8685 23.8685 26.4643 26.4643 27.2486 27.2486 k = 0.5000-0.0000 0.1033 ( 788 PWs) bands (ev): -17.5568 -17.5568 -7.8504 -7.8504 2.2247 2.2247 2.4758 2.4758 23.8848 23.8848 26.5304 26.5304 27.2529 27.2529 Writing output data file O2.save init_run : 0.03s CPU 0.15s WALL ( 1 calls) electrons : 33.25s CPU 34.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 33.24s CPU 34.45s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 599 calls) cegterg : 31.29s CPU 32.16s WALL ( 703 calls) Called by sum_band: Called by *egterg: h_psi : 12.38s CPU 12.59s WALL ( 11754 calls) s_psi : 0.09s CPU 0.11s WALL ( 11754 calls) g_psi : 0.03s CPU 0.03s WALL ( 10452 calls) cdiaghg : 17.06s CPU 17.86s WALL ( 11051 calls) cegterg:over : 1.15s CPU 1.03s WALL ( 10452 calls) cegterg:upda : 0.70s CPU 0.79s WALL ( 10452 calls) cegterg:last : 0.37s CPU 0.39s WALL ( 2218 calls) cdiaghg:chol : 0.90s CPU 1.05s WALL ( 11051 calls) cdiaghg:inve : 0.24s CPU 0.25s WALL ( 11051 calls) cdiaghg:para : 1.44s CPU 1.39s WALL ( 22102 calls) Called by h_psi: h_psi:vloc : 11.78s CPU 12.02s WALL ( 11754 calls) h_psi:vnl : 0.56s CPU 0.54s WALL ( 11754 calls) add_vuspsi : 0.11s CPU 0.13s WALL ( 11754 calls) General routines calbec : 0.42s CPU 0.37s WALL ( 11754 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.16s CPU 11.42s WALL ( 376796 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.16s WALL ( 1198 calls) Parallel routines fft_scatter : 7.16s CPU 7.34s WALL ( 376819 calls) PWSCF : 39.07s CPU 59.49s WALL This run was terminated on: 21: 2:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=