Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31: 9 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiIr.save/ file Ir.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 11 7 2 367 171 30 Max 12 8 3 374 187 35 Sum 559 349 109 17813 8629 1533 bravais-lattice index = 14 lattice parameter (alat) = 5.0059 a.u. unit-cell volume = 180.3133 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 12.00 number of Kohn-Sham states= 20 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.005884 celldm(2)= 1.000000 celldm(3)= 1.659796 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.659796 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.602484 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-sl-rrkjus_psl.1.0.0.UPF MD5 check sum: 42a5b1a926f6369f3011008fc0e1d799 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ir read from file: /home/autes/Pseudo/Ir.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6b565eb6e2516fc30fbc5a2cc5b4266f Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Ir 9.00 192.21700 Ir( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 495 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 2) = ( 0.0072464 0.0041837 -0.0000000), wk = 0.0020202 k( 3) = ( 0.0144928 0.0083674 -0.0000000), wk = 0.0020202 k( 4) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0020202 k( 5) = ( 0.0289855 0.0167348 -0.0000000), wk = 0.0020202 k( 6) = ( 0.0362319 0.0209185 -0.0000000), wk = 0.0020202 k( 7) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0020202 k( 8) = ( 0.0507246 0.0292859 -0.0000000), wk = 0.0020202 k( 9) = ( 0.0579710 0.0334696 -0.0000000), wk = 0.0020202 k( 10) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0020202 k( 11) = ( 0.0724638 0.0418370 -0.0000000), wk = 0.0020202 k( 12) = ( 0.0797101 0.0460207 -0.0000000), wk = 0.0020202 k( 13) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0020202 k( 14) = ( 0.0942029 0.0543881 -0.0000000), wk = 0.0020202 k( 15) = ( 0.1014493 0.0585718 -0.0000000), wk = 0.0020202 k( 16) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0020202 k( 17) = ( 0.1159420 0.0669392 -0.0000000), wk = 0.0020202 k( 18) = ( 0.1231884 0.0711229 -0.0000000), wk = 0.0020202 k( 19) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0020202 k( 20) = ( 0.1376812 0.0794903 -0.0000000), wk = 0.0020202 k( 21) = ( 0.1449275 0.0836740 -0.0000000), wk = 0.0020202 k( 22) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0020202 k( 23) = ( 0.1594203 0.0920413 -0.0000000), wk = 0.0020202 k( 24) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0020202 k( 25) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0020202 k( 26) = ( 0.1811594 0.1045924 -0.0000000), wk = 0.0020202 k( 27) = ( 0.1884058 0.1087761 -0.0000000), wk = 0.0020202 k( 28) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0020202 k( 29) = ( 0.2028986 0.1171435 -0.0000000), wk = 0.0020202 k( 30) = ( 0.2101449 0.1213272 -0.0000000), wk = 0.0020202 k( 31) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0020202 k( 32) = ( 0.2246377 0.1296946 -0.0000000), wk = 0.0020202 k( 33) = ( 0.2318841 0.1338783 -0.0000000), wk = 0.0020202 k( 34) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0020202 k( 35) = ( 0.2463768 0.1422457 -0.0000000), wk = 0.0020202 k( 36) = ( 0.2536232 0.1464294 -0.0000000), wk = 0.0020202 k( 37) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0020202 k( 38) = ( 0.2681159 0.1547968 -0.0000000), wk = 0.0020202 k( 39) = ( 0.2753623 0.1589805 -0.0000000), wk = 0.0020202 k( 40) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0020202 k( 41) = ( 0.2898551 0.1673479 -0.0000000), wk = 0.0020202 k( 42) = ( 0.2971014 0.1715316 -0.0000000), wk = 0.0020202 k( 43) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0020202 k( 44) = ( 0.3115942 0.1798990 -0.0000000), wk = 0.0020202 k( 45) = ( 0.3188406 0.1840827 -0.0000000), wk = 0.0020202 k( 46) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0020202 k( 47) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0020202 k( 48) = ( 0.3405797 0.1966338 -0.0000000), wk = 0.0020202 k( 49) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0020202 k( 50) = ( 0.3550725 0.2050012 -0.0000000), wk = 0.0020202 k( 51) = ( 0.3623188 0.2091849 -0.0000000), wk = 0.0020202 k( 52) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0020202 k( 53) = ( 0.3768116 0.2175523 -0.0000000), wk = 0.0020202 k( 54) = ( 0.3840580 0.2217360 -0.0000000), wk = 0.0020202 k( 55) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0020202 k( 56) = ( 0.3985507 0.2301034 -0.0000000), wk = 0.0020202 k( 57) = ( 0.4057971 0.2342871 -0.0000000), wk = 0.0020202 k( 58) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0020202 k( 59) = ( 0.4202899 0.2426545 -0.0000000), wk = 0.0020202 k( 60) = ( 0.4275362 0.2468382 -0.0000000), wk = 0.0020202 k( 61) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0020202 k( 62) = ( 0.4420290 0.2552056 -0.0000000), wk = 0.0020202 k( 63) = ( 0.4492754 0.2593893 -0.0000000), wk = 0.0020202 k( 64) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0020202 k( 65) = ( 0.4637681 0.2677566 -0.0000000), wk = 0.0020202 k( 66) = ( 0.4710145 0.2719403 -0.0000000), wk = 0.0020202 k( 67) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0020202 k( 68) = ( 0.4855073 0.2803077 -0.0000000), wk = 0.0020202 k( 69) = ( 0.4927536 0.2844914 -0.0000000), wk = 0.0020202 k( 70) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020202 k( 71) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020202 k( 72) = ( 0.4958333 0.2958920 -0.0000000), wk = 0.0020202 k( 73) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0020202 k( 74) = ( 0.4875000 0.3103258 -0.0000000), wk = 0.0020202 k( 75) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0020202 k( 76) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0020202 k( 77) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0020202 k( 78) = ( 0.4708333 0.3391933 -0.0000000), wk = 0.0020202 k( 79) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0020202 k( 80) = ( 0.4625000 0.3536270 -0.0000000), wk = 0.0020202 k( 81) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0020202 k( 82) = ( 0.4541667 0.3680608 -0.0000000), wk = 0.0020202 k( 83) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0020202 k( 84) = ( 0.4458333 0.3824945 -0.0000000), wk = 0.0020202 k( 85) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0020202 k( 86) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0020202 k( 87) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0020202 k( 88) = ( 0.4291667 0.4113621 -0.0000000), wk = 0.0020202 k( 89) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0020202 k( 90) = ( 0.4208333 0.4257958 -0.0000000), wk = 0.0020202 k( 91) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0020202 k( 92) = ( 0.4125000 0.4402296 -0.0000000), wk = 0.0020202 k( 93) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0020202 k( 94) = ( 0.4041667 0.4546633 -0.0000000), wk = 0.0020202 k( 95) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0020202 k( 96) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0020202 k( 97) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0020202 k( 98) = ( 0.3875000 0.4835309 -0.0000000), wk = 0.0020202 k( 99) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0020202 k( 100) = ( 0.3791667 0.4979646 -0.0000000), wk = 0.0020202 k( 101) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0020202 k( 102) = ( 0.3708333 0.5123984 -0.0000000), wk = 0.0020202 k( 103) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0020202 k( 104) = ( 0.3625000 0.5268321 -0.0000000), wk = 0.0020202 k( 105) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0020202 k( 106) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0020202 k( 107) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0020202 k( 108) = ( 0.3458333 0.5556996 -0.0000000), wk = 0.0020202 k( 109) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0020202 k( 110) = ( 0.3375000 0.5701334 -0.0000000), wk = 0.0020202 k( 111) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020202 k( 112) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020202 k( 113) = ( 0.3291667 0.5701334 -0.0000000), wk = 0.0020202 k( 114) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0020202 k( 115) = ( 0.3208333 0.5556996 -0.0000000), wk = 0.0020202 k( 116) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0020202 k( 117) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0020202 k( 118) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0020202 k( 119) = ( 0.3041667 0.5268321 -0.0000000), wk = 0.0020202 k( 120) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0020202 k( 121) = ( 0.2958333 0.5123984 -0.0000000), wk = 0.0020202 k( 122) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0020202 k( 123) = ( 0.2875000 0.4979646 -0.0000000), wk = 0.0020202 k( 124) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0020202 k( 125) = ( 0.2791667 0.4835309 -0.0000000), wk = 0.0020202 k( 126) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0020202 k( 127) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0020202 k( 128) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0020202 k( 129) = ( 0.2625000 0.4546633 -0.0000000), wk = 0.0020202 k( 130) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0020202 k( 131) = ( 0.2541667 0.4402296 -0.0000000), wk = 0.0020202 k( 132) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0020202 k( 133) = ( 0.2458333 0.4257958 -0.0000000), wk = 0.0020202 k( 134) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0020202 k( 135) = ( 0.2375000 0.4113621 -0.0000000), wk = 0.0020202 k( 136) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0020202 k( 137) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0020202 k( 138) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0020202 k( 139) = ( 0.2208333 0.3824945 -0.0000000), wk = 0.0020202 k( 140) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0020202 k( 141) = ( 0.2125000 0.3680608 -0.0000000), wk = 0.0020202 k( 142) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0020202 k( 143) = ( 0.2041667 0.3536270 -0.0000000), wk = 0.0020202 k( 144) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0020202 k( 145) = ( 0.1958333 0.3391933 -0.0000000), wk = 0.0020202 k( 146) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0020202 k( 147) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0020202 k( 148) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0020202 k( 149) = ( 0.1791667 0.3103258 -0.0000000), wk = 0.0020202 k( 150) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0020202 k( 151) = ( 0.1708333 0.2958920 -0.0000000), wk = 0.0020202 k( 152) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0020202 k( 153) = ( 0.1625000 0.2814583 -0.0000000), wk = 0.0020202 k( 154) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0020202 k( 155) = ( 0.1541667 0.2670245 -0.0000000), wk = 0.0020202 k( 156) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0020202 k( 157) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0020202 k( 158) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0020202 k( 159) = ( 0.1375000 0.2381570 -0.0000000), wk = 0.0020202 k( 160) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0020202 k( 161) = ( 0.1291667 0.2237232 -0.0000000), wk = 0.0020202 k( 162) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0020202 k( 163) = ( 0.1208333 0.2092895 -0.0000000), wk = 0.0020202 k( 164) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0020202 k( 165) = ( 0.1125000 0.1948557 -0.0000000), wk = 0.0020202 k( 166) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0020202 k( 167) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0020202 k( 168) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0020202 k( 169) = ( 0.0958333 0.1659882 -0.0000000), wk = 0.0020202 k( 170) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0020202 k( 171) = ( 0.0875000 0.1515544 -0.0000000), wk = 0.0020202 k( 172) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0020202 k( 173) = ( 0.0791667 0.1371207 -0.0000000), wk = 0.0020202 k( 174) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0020202 k( 175) = ( 0.0708333 0.1226869 -0.0000000), wk = 0.0020202 k( 176) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0020202 k( 177) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0020202 k( 178) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0020202 k( 179) = ( 0.0541667 0.0938194 -0.0000000), wk = 0.0020202 k( 180) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0020202 k( 181) = ( 0.0458333 0.0793857 -0.0000000), wk = 0.0020202 k( 182) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0020202 k( 183) = ( 0.0375000 0.0649519 -0.0000000), wk = 0.0020202 k( 184) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0020202 k( 185) = ( 0.0291667 0.0505182 -0.0000000), wk = 0.0020202 k( 186) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0020202 k( 187) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0020202 k( 188) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0020202 k( 189) = ( 0.0125000 0.0216506 -0.0000000), wk = 0.0020202 k( 190) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0020202 k( 191) = ( 0.0041667 0.0072169 -0.0000000), wk = 0.0020202 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 194) = ( 0.0000000 0.0000000 0.0083678), wk = 0.0020202 k( 195) = ( 0.0000000 0.0000000 0.0167357), wk = 0.0020202 k( 196) = ( 0.0000000 0.0000000 0.0251035), wk = 0.0020202 k( 197) = ( 0.0000000 0.0000000 0.0334713), wk = 0.0020202 k( 198) = ( 0.0000000 0.0000000 0.0418391), wk = 0.0020202 k( 199) = ( 0.0000000 0.0000000 0.0502070), wk = 0.0020202 k( 200) = ( 0.0000000 0.0000000 0.0585748), wk = 0.0020202 k( 201) = ( 0.0000000 0.0000000 0.0669426), wk = 0.0020202 k( 202) = ( 0.0000000 0.0000000 0.0753105), wk = 0.0020202 k( 203) = ( 0.0000000 0.0000000 0.0836783), wk = 0.0020202 k( 204) = ( 0.0000000 0.0000000 0.0920461), wk = 0.0020202 k( 205) = ( 0.0000000 0.0000000 0.1004139), wk = 0.0020202 k( 206) = ( 0.0000000 0.0000000 0.1087818), wk = 0.0020202 k( 207) = ( 0.0000000 0.0000000 0.1171496), wk = 0.0020202 k( 208) = ( 0.0000000 0.0000000 0.1255174), wk = 0.0020202 k( 209) = ( 0.0000000 0.0000000 0.1338852), wk = 0.0020202 k( 210) = ( 0.0000000 0.0000000 0.1422531), wk = 0.0020202 k( 211) = ( 0.0000000 0.0000000 0.1506209), wk = 0.0020202 k( 212) = ( 0.0000000 0.0000000 0.1589887), wk = 0.0020202 k( 213) = ( 0.0000000 0.0000000 0.1673566), wk = 0.0020202 k( 214) = ( 0.0000000 0.0000000 0.1757244), wk = 0.0020202 k( 215) = ( 0.0000000 0.0000000 0.1840922), wk = 0.0020202 k( 216) = ( 0.0000000 0.0000000 0.1924600), wk = 0.0020202 k( 217) = ( 0.0000000 0.0000000 0.2008279), wk = 0.0020202 k( 218) = ( 0.0000000 0.0000000 0.2091957), wk = 0.0020202 k( 219) = ( 0.0000000 0.0000000 0.2175635), wk = 0.0020202 k( 220) = ( 0.0000000 0.0000000 0.2259314), wk = 0.0020202 k( 221) = ( 0.0000000 0.0000000 0.2342992), wk = 0.0020202 k( 222) = ( 0.0000000 0.0000000 0.2426670), wk = 0.0020202 k( 223) = ( 0.0000000 0.0000000 0.2510348), wk = 0.0020202 k( 224) = ( 0.0000000 0.0000000 0.2594027), wk = 0.0020202 k( 225) = ( 0.0000000 0.0000000 0.2677705), wk = 0.0020202 k( 226) = ( 0.0000000 0.0000000 0.2761383), wk = 0.0020202 k( 227) = ( 0.0000000 0.0000000 0.2845062), wk = 0.0020202 k( 228) = ( 0.0000000 0.0000000 0.2928740), wk = 0.0020202 k( 229) = ( 0.0000000 0.0000000 0.3012418), wk = 0.0020202 k( 230) = ( 0.0000000 0.0000000 0.3012418), wk = 0.0020202 k( 231) = ( 0.0072464 0.0041837 0.3012418), wk = 0.0020202 k( 232) = ( 0.0144928 0.0083674 0.3012418), wk = 0.0020202 k( 233) = ( 0.0217391 0.0125511 0.3012418), wk = 0.0020202 k( 234) = ( 0.0289855 0.0167348 0.3012418), wk = 0.0020202 k( 235) = ( 0.0362319 0.0209185 0.3012418), wk = 0.0020202 k( 236) = ( 0.0434783 0.0251022 0.3012418), wk = 0.0020202 k( 237) = ( 0.0507246 0.0292859 0.3012418), wk = 0.0020202 k( 238) = ( 0.0579710 0.0334696 0.3012418), wk = 0.0020202 k( 239) = ( 0.0652174 0.0376533 0.3012418), wk = 0.0020202 k( 240) = ( 0.0724638 0.0418370 0.3012418), wk = 0.0020202 k( 241) = ( 0.0797101 0.0460207 0.3012418), wk = 0.0020202 k( 242) = ( 0.0869565 0.0502044 0.3012418), wk = 0.0020202 k( 243) = ( 0.0942029 0.0543881 0.3012418), wk = 0.0020202 k( 244) = ( 0.1014493 0.0585718 0.3012418), wk = 0.0020202 k( 245) = ( 0.1086957 0.0627555 0.3012418), wk = 0.0020202 k( 246) = ( 0.1159420 0.0669392 0.3012418), wk = 0.0020202 k( 247) = ( 0.1231884 0.0711229 0.3012418), wk = 0.0020202 k( 248) = ( 0.1304348 0.0753066 0.3012418), wk = 0.0020202 k( 249) = ( 0.1376812 0.0794903 0.3012418), wk = 0.0020202 k( 250) = ( 0.1449275 0.0836740 0.3012418), wk = 0.0020202 k( 251) = ( 0.1521739 0.0878576 0.3012418), wk = 0.0020202 k( 252) = ( 0.1594203 0.0920413 0.3012418), wk = 0.0020202 k( 253) = ( 0.1666667 0.0962250 0.3012418), wk = 0.0020202 k( 254) = ( 0.1739130 0.1004087 0.3012418), wk = 0.0020202 k( 255) = ( 0.1811594 0.1045924 0.3012418), wk = 0.0020202 k( 256) = ( 0.1884058 0.1087761 0.3012418), wk = 0.0020202 k( 257) = ( 0.1956522 0.1129598 0.3012418), wk = 0.0020202 k( 258) = ( 0.2028986 0.1171435 0.3012418), wk = 0.0020202 k( 259) = ( 0.2101449 0.1213272 0.3012418), wk = 0.0020202 k( 260) = ( 0.2173913 0.1255109 0.3012418), wk = 0.0020202 k( 261) = ( 0.2246377 0.1296946 0.3012418), wk = 0.0020202 k( 262) = ( 0.2318841 0.1338783 0.3012418), wk = 0.0020202 k( 263) = ( 0.2391304 0.1380620 0.3012418), wk = 0.0020202 k( 264) = ( 0.2463768 0.1422457 0.3012418), wk = 0.0020202 k( 265) = ( 0.2536232 0.1464294 0.3012418), wk = 0.0020202 k( 266) = ( 0.2608696 0.1506131 0.3012418), wk = 0.0020202 k( 267) = ( 0.2681159 0.1547968 0.3012418), wk = 0.0020202 k( 268) = ( 0.2753623 0.1589805 0.3012418), wk = 0.0020202 k( 269) = ( 0.2826087 0.1631642 0.3012418), wk = 0.0020202 k( 270) = ( 0.2898551 0.1673479 0.3012418), wk = 0.0020202 k( 271) = ( 0.2971014 0.1715316 0.3012418), wk = 0.0020202 k( 272) = ( 0.3043478 0.1757153 0.3012418), wk = 0.0020202 k( 273) = ( 0.3115942 0.1798990 0.3012418), wk = 0.0020202 k( 274) = ( 0.3188406 0.1840827 0.3012418), wk = 0.0020202 k( 275) = ( 0.3260870 0.1882664 0.3012418), wk = 0.0020202 k( 276) = ( 0.3333333 0.1924501 0.3012418), wk = 0.0020202 k( 277) = ( 0.3405797 0.1966338 0.3012418), wk = 0.0020202 k( 278) = ( 0.3478261 0.2008175 0.3012418), wk = 0.0020202 k( 279) = ( 0.3550725 0.2050012 0.3012418), wk = 0.0020202 k( 280) = ( 0.3623188 0.2091849 0.3012418), wk = 0.0020202 k( 281) = ( 0.3695652 0.2133686 0.3012418), wk = 0.0020202 k( 282) = ( 0.3768116 0.2175523 0.3012418), wk = 0.0020202 k( 283) = ( 0.3840580 0.2217360 0.3012418), wk = 0.0020202 k( 284) = ( 0.3913044 0.2259197 0.3012418), wk = 0.0020202 k( 285) = ( 0.3985507 0.2301034 0.3012418), wk = 0.0020202 k( 286) = ( 0.4057971 0.2342871 0.3012418), wk = 0.0020202 k( 287) = ( 0.4130435 0.2384708 0.3012418), wk = 0.0020202 k( 288) = ( 0.4202899 0.2426545 0.3012418), wk = 0.0020202 k( 289) = ( 0.4275362 0.2468382 0.3012418), wk = 0.0020202 k( 290) = ( 0.4347826 0.2510219 0.3012418), wk = 0.0020202 k( 291) = ( 0.4420290 0.2552056 0.3012418), wk = 0.0020202 k( 292) = ( 0.4492754 0.2593893 0.3012418), wk = 0.0020202 k( 293) = ( 0.4565217 0.2635729 0.3012418), wk = 0.0020202 k( 294) = ( 0.4637681 0.2677566 0.3012418), wk = 0.0020202 k( 295) = ( 0.4710145 0.2719403 0.3012418), wk = 0.0020202 k( 296) = ( 0.4782609 0.2761240 0.3012418), wk = 0.0020202 k( 297) = ( 0.4855073 0.2803077 0.3012418), wk = 0.0020202 k( 298) = ( 0.4927536 0.2844914 0.3012418), wk = 0.0020202 k( 299) = ( 0.5000000 0.2886751 0.3012418), wk = 0.0020202 k( 300) = ( 0.5000000 0.2886751 0.3012418), wk = 0.0020202 k( 301) = ( 0.4958333 0.2958920 0.3012418), wk = 0.0020202 k( 302) = ( 0.4916667 0.3031089 0.3012418), wk = 0.0020202 k( 303) = ( 0.4875000 0.3103258 0.3012418), wk = 0.0020202 k( 304) = ( 0.4833333 0.3175426 0.3012418), wk = 0.0020202 k( 305) = ( 0.4791667 0.3247595 0.3012418), wk = 0.0020202 k( 306) = ( 0.4750000 0.3319764 0.3012418), wk = 0.0020202 k( 307) = ( 0.4708333 0.3391933 0.3012418), wk = 0.0020202 k( 308) = ( 0.4666667 0.3464102 0.3012418), wk = 0.0020202 k( 309) = ( 0.4625000 0.3536270 0.3012418), wk = 0.0020202 k( 310) = ( 0.4583333 0.3608439 0.3012418), wk = 0.0020202 k( 311) = ( 0.4541667 0.3680608 0.3012418), wk = 0.0020202 k( 312) = ( 0.4500000 0.3752777 0.3012418), wk = 0.0020202 k( 313) = ( 0.4458333 0.3824945 0.3012418), wk = 0.0020202 k( 314) = ( 0.4416667 0.3897114 0.3012418), wk = 0.0020202 k( 315) = ( 0.4375000 0.3969283 0.3012418), wk = 0.0020202 k( 316) = ( 0.4333333 0.4041452 0.3012418), wk = 0.0020202 k( 317) = ( 0.4291667 0.4113621 0.3012418), wk = 0.0020202 k( 318) = ( 0.4250000 0.4185789 0.3012418), wk = 0.0020202 k( 319) = ( 0.4208333 0.4257958 0.3012418), wk = 0.0020202 k( 320) = ( 0.4166667 0.4330127 0.3012418), wk = 0.0020202 k( 321) = ( 0.4125000 0.4402296 0.3012418), wk = 0.0020202 k( 322) = ( 0.4083333 0.4474465 0.3012418), wk = 0.0020202 k( 323) = ( 0.4041667 0.4546633 0.3012418), wk = 0.0020202 k( 324) = ( 0.4000000 0.4618802 0.3012418), wk = 0.0020202 k( 325) = ( 0.3958333 0.4690971 0.3012418), wk = 0.0020202 k( 326) = ( 0.3916667 0.4763140 0.3012418), wk = 0.0020202 k( 327) = ( 0.3875000 0.4835309 0.3012418), wk = 0.0020202 k( 328) = ( 0.3833333 0.4907477 0.3012418), wk = 0.0020202 k( 329) = ( 0.3791667 0.4979646 0.3012418), wk = 0.0020202 k( 330) = ( 0.3750000 0.5051815 0.3012418), wk = 0.0020202 k( 331) = ( 0.3708333 0.5123984 0.3012418), wk = 0.0020202 k( 332) = ( 0.3666667 0.5196152 0.3012418), wk = 0.0020202 k( 333) = ( 0.3625000 0.5268321 0.3012418), wk = 0.0020202 k( 334) = ( 0.3583333 0.5340490 0.3012418), wk = 0.0020202 k( 335) = ( 0.3541667 0.5412659 0.3012418), wk = 0.0020202 k( 336) = ( 0.3500000 0.5484828 0.3012418), wk = 0.0020202 k( 337) = ( 0.3458333 0.5556996 0.3012418), wk = 0.0020202 k( 338) = ( 0.3416667 0.5629165 0.3012418), wk = 0.0020202 k( 339) = ( 0.3375000 0.5701334 0.3012418), wk = 0.0020202 k( 340) = ( 0.3333333 0.5773503 0.3012418), wk = 0.0020202 k( 341) = ( 0.3333333 0.5773503 0.3012418), wk = 0.0020202 k( 342) = ( 0.3291667 0.5701334 0.3012418), wk = 0.0020202 k( 343) = ( 0.3250000 0.5629165 0.3012418), wk = 0.0020202 k( 344) = ( 0.3208333 0.5556996 0.3012418), wk = 0.0020202 k( 345) = ( 0.3166667 0.5484828 0.3012418), wk = 0.0020202 k( 346) = ( 0.3125000 0.5412659 0.3012418), wk = 0.0020202 k( 347) = ( 0.3083333 0.5340490 0.3012418), wk = 0.0020202 k( 348) = ( 0.3041667 0.5268321 0.3012418), wk = 0.0020202 k( 349) = ( 0.3000000 0.5196152 0.3012418), wk = 0.0020202 k( 350) = ( 0.2958333 0.5123984 0.3012418), wk = 0.0020202 k( 351) = ( 0.2916667 0.5051815 0.3012418), wk = 0.0020202 k( 352) = ( 0.2875000 0.4979646 0.3012418), wk = 0.0020202 k( 353) = ( 0.2833333 0.4907477 0.3012418), wk = 0.0020202 k( 354) = ( 0.2791667 0.4835309 0.3012418), wk = 0.0020202 k( 355) = ( 0.2750000 0.4763140 0.3012418), wk = 0.0020202 k( 356) = ( 0.2708333 0.4690971 0.3012418), wk = 0.0020202 k( 357) = ( 0.2666667 0.4618802 0.3012418), wk = 0.0020202 k( 358) = ( 0.2625000 0.4546633 0.3012418), wk = 0.0020202 k( 359) = ( 0.2583333 0.4474465 0.3012418), wk = 0.0020202 k( 360) = ( 0.2541667 0.4402296 0.3012418), wk = 0.0020202 k( 361) = ( 0.2500000 0.4330127 0.3012418), wk = 0.0020202 k( 362) = ( 0.2458333 0.4257958 0.3012418), wk = 0.0020202 k( 363) = ( 0.2416667 0.4185790 0.3012418), wk = 0.0020202 k( 364) = ( 0.2375000 0.4113621 0.3012418), wk = 0.0020202 k( 365) = ( 0.2333333 0.4041452 0.3012418), wk = 0.0020202 k( 366) = ( 0.2291667 0.3969283 0.3012418), wk = 0.0020202 k( 367) = ( 0.2250000 0.3897114 0.3012418), wk = 0.0020202 k( 368) = ( 0.2208333 0.3824945 0.3012418), wk = 0.0020202 k( 369) = ( 0.2166667 0.3752777 0.3012418), wk = 0.0020202 k( 370) = ( 0.2125000 0.3680608 0.3012418), wk = 0.0020202 k( 371) = ( 0.2083333 0.3608439 0.3012418), wk = 0.0020202 k( 372) = ( 0.2041667 0.3536270 0.3012418), wk = 0.0020202 k( 373) = ( 0.2000000 0.3464102 0.3012418), wk = 0.0020202 k( 374) = ( 0.1958333 0.3391933 0.3012418), wk = 0.0020202 k( 375) = ( 0.1916667 0.3319764 0.3012418), wk = 0.0020202 k( 376) = ( 0.1875000 0.3247595 0.3012418), wk = 0.0020202 k( 377) = ( 0.1833333 0.3175426 0.3012418), wk = 0.0020202 k( 378) = ( 0.1791667 0.3103258 0.3012418), wk = 0.0020202 k( 379) = ( 0.1750000 0.3031089 0.3012418), wk = 0.0020202 k( 380) = ( 0.1708333 0.2958920 0.3012418), wk = 0.0020202 k( 381) = ( 0.1666667 0.2886751 0.3012418), wk = 0.0020202 k( 382) = ( 0.1625000 0.2814583 0.3012418), wk = 0.0020202 k( 383) = ( 0.1583333 0.2742414 0.3012418), wk = 0.0020202 k( 384) = ( 0.1541667 0.2670245 0.3012418), wk = 0.0020202 k( 385) = ( 0.1500000 0.2598076 0.3012418), wk = 0.0020202 k( 386) = ( 0.1458333 0.2525907 0.3012418), wk = 0.0020202 k( 387) = ( 0.1416667 0.2453739 0.3012418), wk = 0.0020202 k( 388) = ( 0.1375000 0.2381570 0.3012418), wk = 0.0020202 k( 389) = ( 0.1333333 0.2309401 0.3012418), wk = 0.0020202 k( 390) = ( 0.1291667 0.2237232 0.3012418), wk = 0.0020202 k( 391) = ( 0.1250000 0.2165064 0.3012418), wk = 0.0020202 k( 392) = ( 0.1208333 0.2092895 0.3012418), wk = 0.0020202 k( 393) = ( 0.1166667 0.2020726 0.3012418), wk = 0.0020202 k( 394) = ( 0.1125000 0.1948557 0.3012418), wk = 0.0020202 k( 395) = ( 0.1083333 0.1876388 0.3012418), wk = 0.0020202 k( 396) = ( 0.1041667 0.1804220 0.3012418), wk = 0.0020202 k( 397) = ( 0.1000000 0.1732051 0.3012418), wk = 0.0020202 k( 398) = ( 0.0958333 0.1659882 0.3012418), wk = 0.0020202 k( 399) = ( 0.0916667 0.1587713 0.3012418), wk = 0.0020202 k( 400) = ( 0.0875000 0.1515544 0.3012418), wk = 0.0020202 k( 401) = ( 0.0833333 0.1443376 0.3012418), wk = 0.0020202 k( 402) = ( 0.0791667 0.1371207 0.3012418), wk = 0.0020202 k( 403) = ( 0.0750000 0.1299038 0.3012418), wk = 0.0020202 k( 404) = ( 0.0708333 0.1226869 0.3012418), wk = 0.0020202 k( 405) = ( 0.0666667 0.1154701 0.3012418), wk = 0.0020202 k( 406) = ( 0.0625000 0.1082532 0.3012418), wk = 0.0020202 k( 407) = ( 0.0583333 0.1010363 0.3012418), wk = 0.0020202 k( 408) = ( 0.0541667 0.0938194 0.3012418), wk = 0.0020202 k( 409) = ( 0.0500000 0.0866025 0.3012418), wk = 0.0020202 k( 410) = ( 0.0458333 0.0793857 0.3012418), wk = 0.0020202 k( 411) = ( 0.0416667 0.0721688 0.3012418), wk = 0.0020202 k( 412) = ( 0.0375000 0.0649519 0.3012418), wk = 0.0020202 k( 413) = ( 0.0333333 0.0577350 0.3012418), wk = 0.0020202 k( 414) = ( 0.0291667 0.0505182 0.3012418), wk = 0.0020202 k( 415) = ( 0.0250000 0.0433013 0.3012418), wk = 0.0020202 k( 416) = ( 0.0208333 0.0360844 0.3012418), wk = 0.0020202 k( 417) = ( 0.0166667 0.0288675 0.3012418), wk = 0.0020202 k( 418) = ( 0.0125000 0.0216506 0.3012418), wk = 0.0020202 k( 419) = ( 0.0083333 0.0144338 0.3012418), wk = 0.0020202 k( 420) = ( 0.0041667 0.0072169 0.3012418), wk = 0.0020202 k( 421) = ( 0.0000000 0.0000000 0.3012418), wk = 0.0020202 k( 422) = ( 0.5000000 0.2886751 0.3012418), wk = 0.0020202 k( 423) = ( 0.5000000 0.2886751 0.2928740), wk = 0.0020202 k( 424) = ( 0.5000000 0.2886751 0.2845062), wk = 0.0020202 k( 425) = ( 0.5000000 0.2886751 0.2761383), wk = 0.0020202 k( 426) = ( 0.5000000 0.2886751 0.2677705), wk = 0.0020202 k( 427) = ( 0.5000000 0.2886751 0.2594027), wk = 0.0020202 k( 428) = ( 0.5000000 0.2886751 0.2510348), wk = 0.0020202 k( 429) = ( 0.5000000 0.2886751 0.2426670), wk = 0.0020202 k( 430) = ( 0.5000000 0.2886751 0.2342992), wk = 0.0020202 k( 431) = ( 0.5000000 0.2886751 0.2259314), wk = 0.0020202 k( 432) = ( 0.5000000 0.2886751 0.2175635), wk = 0.0020202 k( 433) = ( 0.5000000 0.2886751 0.2091957), wk = 0.0020202 k( 434) = ( 0.5000000 0.2886751 0.2008279), wk = 0.0020202 k( 435) = ( 0.5000000 0.2886751 0.1924600), wk = 0.0020202 k( 436) = ( 0.5000000 0.2886751 0.1840922), wk = 0.0020202 k( 437) = ( 0.5000000 0.2886751 0.1757244), wk = 0.0020202 k( 438) = ( 0.5000000 0.2886751 0.1673566), wk = 0.0020202 k( 439) = ( 0.5000000 0.2886751 0.1589887), wk = 0.0020202 k( 440) = ( 0.5000000 0.2886751 0.1506209), wk = 0.0020202 k( 441) = ( 0.5000000 0.2886751 0.1422531), wk = 0.0020202 k( 442) = ( 0.5000000 0.2886751 0.1338852), wk = 0.0020202 k( 443) = ( 0.5000000 0.2886751 0.1255174), wk = 0.0020202 k( 444) = ( 0.5000000 0.2886751 0.1171496), wk = 0.0020202 k( 445) = ( 0.5000000 0.2886751 0.1087818), wk = 0.0020202 k( 446) = ( 0.5000000 0.2886751 0.1004139), wk = 0.0020202 k( 447) = ( 0.5000000 0.2886751 0.0920461), wk = 0.0020202 k( 448) = ( 0.5000000 0.2886751 0.0836783), wk = 0.0020202 k( 449) = ( 0.5000000 0.2886751 0.0753105), wk = 0.0020202 k( 450) = ( 0.5000000 0.2886751 0.0669426), wk = 0.0020202 k( 451) = ( 0.5000000 0.2886751 0.0585748), wk = 0.0020202 k( 452) = ( 0.5000000 0.2886751 0.0502070), wk = 0.0020202 k( 453) = ( 0.5000000 0.2886751 0.0418391), wk = 0.0020202 k( 454) = ( 0.5000000 0.2886751 0.0334713), wk = 0.0020202 k( 455) = ( 0.5000000 0.2886751 0.0251035), wk = 0.0020202 k( 456) = ( 0.5000000 0.2886751 0.0167357), wk = 0.0020202 k( 457) = ( 0.5000000 0.2886751 0.0083678), wk = 0.0020202 k( 458) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020202 k( 459) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020202 k( 460) = ( 0.3333333 0.5773503 0.0083678), wk = 0.0020202 k( 461) = ( 0.3333333 0.5773503 0.0167357), wk = 0.0020202 k( 462) = ( 0.3333333 0.5773503 0.0251035), wk = 0.0020202 k( 463) = ( 0.3333333 0.5773503 0.0334713), wk = 0.0020202 k( 464) = ( 0.3333333 0.5773503 0.0418391), wk = 0.0020202 k( 465) = ( 0.3333333 0.5773503 0.0502070), wk = 0.0020202 k( 466) = ( 0.3333333 0.5773503 0.0585748), wk = 0.0020202 k( 467) = ( 0.3333333 0.5773503 0.0669426), wk = 0.0020202 k( 468) = ( 0.3333333 0.5773503 0.0753105), wk = 0.0020202 k( 469) = ( 0.3333333 0.5773503 0.0836783), wk = 0.0020202 k( 470) = ( 0.3333333 0.5773503 0.0920461), wk = 0.0020202 k( 471) = ( 0.3333333 0.5773503 0.1004139), wk = 0.0020202 k( 472) = ( 0.3333333 0.5773503 0.1087818), wk = 0.0020202 k( 473) = ( 0.3333333 0.5773503 0.1171496), wk = 0.0020202 k( 474) = ( 0.3333333 0.5773503 0.1255174), wk = 0.0020202 k( 475) = ( 0.3333333 0.5773503 0.1338852), wk = 0.0020202 k( 476) = ( 0.3333333 0.5773503 0.1422531), wk = 0.0020202 k( 477) = ( 0.3333333 0.5773503 0.1506209), wk = 0.0020202 k( 478) = ( 0.3333333 0.5773503 0.1589887), wk = 0.0020202 k( 479) = ( 0.3333333 0.5773503 0.1673566), wk = 0.0020202 k( 480) = ( 0.3333333 0.5773503 0.1757244), wk = 0.0020202 k( 481) = ( 0.3333333 0.5773503 0.1840922), wk = 0.0020202 k( 482) = ( 0.3333333 0.5773503 0.1924600), wk = 0.0020202 k( 483) = ( 0.3333333 0.5773503 0.2008279), wk = 0.0020202 k( 484) = ( 0.3333333 0.5773503 0.2091957), wk = 0.0020202 k( 485) = ( 0.3333333 0.5773503 0.2175635), wk = 0.0020202 k( 486) = ( 0.3333333 0.5773503 0.2259314), wk = 0.0020202 k( 487) = ( 0.3333333 0.5773503 0.2342992), wk = 0.0020202 k( 488) = ( 0.3333333 0.5773503 0.2426670), wk = 0.0020202 k( 489) = ( 0.3333333 0.5773503 0.2510348), wk = 0.0020202 k( 490) = ( 0.3333333 0.5773503 0.2594027), wk = 0.0020202 k( 491) = ( 0.3333333 0.5773503 0.2677705), wk = 0.0020202 k( 492) = ( 0.3333333 0.5773503 0.2761383), wk = 0.0020202 k( 493) = ( 0.3333333 0.5773503 0.2845062), wk = 0.0020202 k( 494) = ( 0.3333333 0.5773503 0.2928740), wk = 0.0020202 k( 495) = ( 0.3333333 0.5773503 0.3012418), wk = 0.0020202 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 2) = ( 0.0072464 0.0000000 0.0000000), wk = 0.0020202 k( 3) = ( 0.0144928 0.0000000 0.0000000), wk = 0.0020202 k( 4) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0020202 k( 5) = ( 0.0289855 0.0000000 0.0000000), wk = 0.0020202 k( 6) = ( 0.0362319 0.0000000 0.0000000), wk = 0.0020202 k( 7) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0020202 k( 8) = ( 0.0507246 0.0000000 0.0000000), wk = 0.0020202 k( 9) = ( 0.0579710 0.0000000 0.0000000), wk = 0.0020202 k( 10) = ( 0.0652174 0.0000000 -0.0000000), wk = 0.0020202 k( 11) = ( 0.0724638 0.0000000 0.0000000), wk = 0.0020202 k( 12) = ( 0.0797101 0.0000000 0.0000000), wk = 0.0020202 k( 13) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0020202 k( 14) = ( 0.0942029 0.0000000 0.0000000), wk = 0.0020202 k( 15) = ( 0.1014493 0.0000000 0.0000000), wk = 0.0020202 k( 16) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0020202 k( 17) = ( 0.1159420 0.0000000 0.0000000), wk = 0.0020202 k( 18) = ( 0.1231884 0.0000000 0.0000000), wk = 0.0020202 k( 19) = ( 0.1304348 0.0000000 -0.0000000), wk = 0.0020202 k( 20) = ( 0.1376812 0.0000000 0.0000000), wk = 0.0020202 k( 21) = ( 0.1449275 0.0000000 0.0000000), wk = 0.0020202 k( 22) = ( 0.1521739 0.0000000 0.0000000), wk = 0.0020202 k( 23) = ( 0.1594203 0.0000000 0.0000000), wk = 0.0020202 k( 24) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0020202 k( 25) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0020202 k( 26) = ( 0.1811594 0.0000000 0.0000000), wk = 0.0020202 k( 27) = ( 0.1884058 0.0000000 0.0000000), wk = 0.0020202 k( 28) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0020202 k( 29) = ( 0.2028986 0.0000000 0.0000000), wk = 0.0020202 k( 30) = ( 0.2101449 0.0000000 0.0000000), wk = 0.0020202 k( 31) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0020202 k( 32) = ( 0.2246377 0.0000000 0.0000000), wk = 0.0020202 k( 33) = ( 0.2318841 0.0000000 0.0000000), wk = 0.0020202 k( 34) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0020202 k( 35) = ( 0.2463768 0.0000000 0.0000000), wk = 0.0020202 k( 36) = ( 0.2536232 0.0000000 0.0000000), wk = 0.0020202 k( 37) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0020202 k( 38) = ( 0.2681159 0.0000000 0.0000000), wk = 0.0020202 k( 39) = ( 0.2753623 0.0000000 0.0000000), wk = 0.0020202 k( 40) = ( 0.2826087 0.0000000 0.0000000), wk = 0.0020202 k( 41) = ( 0.2898551 0.0000000 0.0000000), wk = 0.0020202 k( 42) = ( 0.2971014 0.0000000 0.0000000), wk = 0.0020202 k( 43) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0020202 k( 44) = ( 0.3115942 0.0000000 0.0000000), wk = 0.0020202 k( 45) = ( 0.3188406 0.0000000 0.0000000), wk = 0.0020202 k( 46) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0020202 k( 47) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0020202 k( 48) = ( 0.3405797 0.0000000 0.0000000), wk = 0.0020202 k( 49) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0020202 k( 50) = ( 0.3550725 0.0000000 0.0000000), wk = 0.0020202 k( 51) = ( 0.3623188 0.0000000 0.0000000), wk = 0.0020202 k( 52) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0020202 k( 53) = ( 0.3768116 0.0000000 0.0000000), wk = 0.0020202 k( 54) = ( 0.3840580 0.0000000 0.0000000), wk = 0.0020202 k( 55) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0020202 k( 56) = ( 0.3985507 0.0000000 0.0000000), wk = 0.0020202 k( 57) = ( 0.4057971 0.0000000 0.0000000), wk = 0.0020202 k( 58) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0020202 k( 59) = ( 0.4202899 0.0000000 0.0000000), wk = 0.0020202 k( 60) = ( 0.4275362 0.0000000 0.0000000), wk = 0.0020202 k( 61) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0020202 k( 62) = ( 0.4420290 0.0000000 0.0000000), wk = 0.0020202 k( 63) = ( 0.4492754 0.0000000 0.0000000), wk = 0.0020202 k( 64) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0020202 k( 65) = ( 0.4637681 0.0000000 0.0000000), wk = 0.0020202 k( 66) = ( 0.4710145 0.0000000 0.0000000), wk = 0.0020202 k( 67) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0020202 k( 68) = ( 0.4855073 0.0000000 0.0000000), wk = 0.0020202 k( 69) = ( 0.4927536 0.0000000 0.0000000), wk = 0.0020202 k( 70) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020202 k( 71) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020202 k( 72) = ( 0.4958333 0.0083333 0.0000000), wk = 0.0020202 k( 73) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0020202 k( 74) = ( 0.4875000 0.0250000 0.0000000), wk = 0.0020202 k( 75) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0020202 k( 76) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0020202 k( 77) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0020202 k( 78) = ( 0.4708333 0.0583333 0.0000000), wk = 0.0020202 k( 79) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0020202 k( 80) = ( 0.4625000 0.0750000 -0.0000000), wk = 0.0020202 k( 81) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0020202 k( 82) = ( 0.4541667 0.0916667 0.0000000), wk = 0.0020202 k( 83) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0020202 k( 84) = ( 0.4458333 0.1083333 -0.0000000), wk = 0.0020202 k( 85) = ( 0.4416667 0.1166667 -0.0000000), wk = 0.0020202 k( 86) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0020202 k( 87) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0020202 k( 88) = ( 0.4291667 0.1416667 0.0000000), wk = 0.0020202 k( 89) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0020202 k( 90) = ( 0.4208333 0.1583333 0.0000000), wk = 0.0020202 k( 91) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0020202 k( 92) = ( 0.4125000 0.1750000 0.0000000), wk = 0.0020202 k( 93) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0020202 k( 94) = ( 0.4041667 0.1916667 -0.0000000), wk = 0.0020202 k( 95) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0020202 k( 96) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0020202 k( 97) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0020202 k( 98) = ( 0.3875000 0.2250000 0.0000000), wk = 0.0020202 k( 99) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0020202 k( 100) = ( 0.3791667 0.2416667 0.0000000), wk = 0.0020202 k( 101) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0020202 k( 102) = ( 0.3708333 0.2583333 0.0000000), wk = 0.0020202 k( 103) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0020202 k( 104) = ( 0.3625000 0.2750000 -0.0000000), wk = 0.0020202 k( 105) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0020202 k( 106) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0020202 k( 107) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0020202 k( 108) = ( 0.3458333 0.3083333 0.0000000), wk = 0.0020202 k( 109) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0020202 k( 110) = ( 0.3375000 0.3250000 -0.0000000), wk = 0.0020202 k( 111) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020202 k( 112) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020202 k( 113) = ( 0.3291667 0.3291667 0.0000000), wk = 0.0020202 k( 114) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0020202 k( 115) = ( 0.3208333 0.3208333 0.0000000), wk = 0.0020202 k( 116) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0020202 k( 117) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0020202 k( 118) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0020202 k( 119) = ( 0.3041667 0.3041667 0.0000000), wk = 0.0020202 k( 120) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0020202 k( 121) = ( 0.2958333 0.2958333 -0.0000000), wk = 0.0020202 k( 122) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0020202 k( 123) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0020202 k( 124) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0020202 k( 125) = ( 0.2791667 0.2791667 0.0000000), wk = 0.0020202 k( 126) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0020202 k( 127) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0020202 k( 128) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0020202 k( 129) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0020202 k( 130) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0020202 k( 131) = ( 0.2541667 0.2541667 -0.0000000), wk = 0.0020202 k( 132) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0020202 k( 133) = ( 0.2458333 0.2458333 0.0000000), wk = 0.0020202 k( 134) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0020202 k( 135) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0020202 k( 136) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0020202 k( 137) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0020202 k( 138) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0020202 k( 139) = ( 0.2208333 0.2208333 -0.0000000), wk = 0.0020202 k( 140) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0020202 k( 141) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0020202 k( 142) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0020202 k( 143) = ( 0.2041667 0.2041667 0.0000000), wk = 0.0020202 k( 144) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0020202 k( 145) = ( 0.1958333 0.1958333 0.0000000), wk = 0.0020202 k( 146) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0020202 k( 147) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0020202 k( 148) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0020202 k( 149) = ( 0.1791667 0.1791667 0.0000000), wk = 0.0020202 k( 150) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0020202 k( 151) = ( 0.1708333 0.1708333 0.0000000), wk = 0.0020202 k( 152) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0020202 k( 153) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0020202 k( 154) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0020202 k( 155) = ( 0.1541667 0.1541667 -0.0000000), wk = 0.0020202 k( 156) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0020202 k( 157) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0020202 k( 158) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0020202 k( 159) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0020202 k( 160) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0020202 k( 161) = ( 0.1291667 0.1291667 0.0000000), wk = 0.0020202 k( 162) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0020202 k( 163) = ( 0.1208333 0.1208333 0.0000000), wk = 0.0020202 k( 164) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0020202 k( 165) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0020202 k( 166) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0020202 k( 167) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0020202 k( 168) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0020202 k( 169) = ( 0.0958333 0.0958333 0.0000000), wk = 0.0020202 k( 170) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0020202 k( 171) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0020202 k( 172) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0020202 k( 173) = ( 0.0791667 0.0791667 0.0000000), wk = 0.0020202 k( 174) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0020202 k( 175) = ( 0.0708333 0.0708333 0.0000000), wk = 0.0020202 k( 176) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0020202 k( 177) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0020202 k( 178) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0020202 k( 179) = ( 0.0541667 0.0541667 -0.0000000), wk = 0.0020202 k( 180) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0020202 k( 181) = ( 0.0458333 0.0458333 0.0000000), wk = 0.0020202 k( 182) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0020202 k( 183) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0020202 k( 184) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0020202 k( 185) = ( 0.0291667 0.0291667 0.0000000), wk = 0.0020202 k( 186) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0020202 k( 187) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0020202 k( 188) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0020202 k( 189) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0020202 k( 190) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0020202 k( 191) = ( 0.0041667 0.0041667 0.0000000), wk = 0.0020202 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 194) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0020202 k( 195) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0020202 k( 196) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0020202 k( 197) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0020202 k( 198) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0020202 k( 199) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0020202 k( 200) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0020202 k( 201) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0020202 k( 202) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020202 k( 203) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0020202 k( 204) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0020202 k( 205) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0020202 k( 206) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0020202 k( 207) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0020202 k( 208) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0020202 k( 209) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0020202 k( 210) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0020202 k( 211) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020202 k( 212) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0020202 k( 213) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0020202 k( 214) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0020202 k( 215) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0020202 k( 216) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0020202 k( 217) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0020202 k( 218) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0020202 k( 219) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0020202 k( 220) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020202 k( 221) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0020202 k( 222) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0020202 k( 223) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0020202 k( 224) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0020202 k( 225) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0020202 k( 226) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0020202 k( 227) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0020202 k( 228) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0020202 k( 229) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020202 k( 230) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020202 k( 231) = ( 0.0072464 0.0000000 0.5000000), wk = 0.0020202 k( 232) = ( 0.0144928 0.0000000 0.5000000), wk = 0.0020202 k( 233) = ( 0.0217391 0.0000000 0.5000000), wk = 0.0020202 k( 234) = ( 0.0289855 0.0000000 0.5000000), wk = 0.0020202 k( 235) = ( 0.0362319 0.0000000 0.5000000), wk = 0.0020202 k( 236) = ( 0.0434783 0.0000000 0.5000000), wk = 0.0020202 k( 237) = ( 0.0507246 0.0000000 0.5000000), wk = 0.0020202 k( 238) = ( 0.0579710 0.0000000 0.5000000), wk = 0.0020202 k( 239) = ( 0.0652174 0.0000000 0.5000000), wk = 0.0020202 k( 240) = ( 0.0724638 0.0000000 0.5000000), wk = 0.0020202 k( 241) = ( 0.0797101 0.0000000 0.5000000), wk = 0.0020202 k( 242) = ( 0.0869565 0.0000000 0.5000000), wk = 0.0020202 k( 243) = ( 0.0942029 0.0000000 0.5000000), wk = 0.0020202 k( 244) = ( 0.1014493 0.0000000 0.5000000), wk = 0.0020202 k( 245) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0020202 k( 246) = ( 0.1159420 0.0000000 0.5000000), wk = 0.0020202 k( 247) = ( 0.1231884 0.0000000 0.5000000), wk = 0.0020202 k( 248) = ( 0.1304348 0.0000000 0.5000000), wk = 0.0020202 k( 249) = ( 0.1376812 0.0000000 0.5000000), wk = 0.0020202 k( 250) = ( 0.1449275 0.0000000 0.5000000), wk = 0.0020202 k( 251) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0020202 k( 252) = ( 0.1594203 0.0000000 0.5000000), wk = 0.0020202 k( 253) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0020202 k( 254) = ( 0.1739130 0.0000000 0.5000000), wk = 0.0020202 k( 255) = ( 0.1811594 0.0000000 0.5000000), wk = 0.0020202 k( 256) = ( 0.1884058 0.0000000 0.5000000), wk = 0.0020202 k( 257) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0020202 k( 258) = ( 0.2028986 0.0000000 0.5000000), wk = 0.0020202 k( 259) = ( 0.2101449 0.0000000 0.5000000), wk = 0.0020202 k( 260) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0020202 k( 261) = ( 0.2246377 0.0000000 0.5000000), wk = 0.0020202 k( 262) = ( 0.2318841 0.0000000 0.5000000), wk = 0.0020202 k( 263) = ( 0.2391304 0.0000000 0.5000000), wk = 0.0020202 k( 264) = ( 0.2463768 0.0000000 0.5000000), wk = 0.0020202 k( 265) = ( 0.2536232 0.0000000 0.5000000), wk = 0.0020202 k( 266) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0020202 k( 267) = ( 0.2681159 0.0000000 0.5000000), wk = 0.0020202 k( 268) = ( 0.2753623 0.0000000 0.5000000), wk = 0.0020202 k( 269) = ( 0.2826087 0.0000000 0.5000000), wk = 0.0020202 k( 270) = ( 0.2898551 0.0000000 0.5000000), wk = 0.0020202 k( 271) = ( 0.2971014 0.0000000 0.5000000), wk = 0.0020202 k( 272) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0020202 k( 273) = ( 0.3115942 0.0000000 0.5000000), wk = 0.0020202 k( 274) = ( 0.3188406 0.0000000 0.5000000), wk = 0.0020202 k( 275) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0020202 k( 276) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0020202 k( 277) = ( 0.3405797 0.0000000 0.5000000), wk = 0.0020202 k( 278) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0020202 k( 279) = ( 0.3550725 0.0000000 0.5000000), wk = 0.0020202 k( 280) = ( 0.3623188 0.0000000 0.5000000), wk = 0.0020202 k( 281) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0020202 k( 282) = ( 0.3768116 0.0000000 0.5000000), wk = 0.0020202 k( 283) = ( 0.3840580 0.0000000 0.5000000), wk = 0.0020202 k( 284) = ( 0.3913044 0.0000000 0.5000000), wk = 0.0020202 k( 285) = ( 0.3985507 0.0000000 0.5000000), wk = 0.0020202 k( 286) = ( 0.4057971 0.0000000 0.5000000), wk = 0.0020202 k( 287) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0020202 k( 288) = ( 0.4202899 0.0000000 0.5000000), wk = 0.0020202 k( 289) = ( 0.4275362 0.0000000 0.5000000), wk = 0.0020202 k( 290) = ( 0.4347826 0.0000000 0.5000000), wk = 0.0020202 k( 291) = ( 0.4420290 0.0000000 0.5000000), wk = 0.0020202 k( 292) = ( 0.4492754 0.0000000 0.5000000), wk = 0.0020202 k( 293) = ( 0.4565217 0.0000000 0.5000000), wk = 0.0020202 k( 294) = ( 0.4637681 0.0000000 0.5000000), wk = 0.0020202 k( 295) = ( 0.4710145 0.0000000 0.5000000), wk = 0.0020202 k( 296) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0020202 k( 297) = ( 0.4855073 0.0000000 0.5000000), wk = 0.0020202 k( 298) = ( 0.4927536 0.0000000 0.5000000), wk = 0.0020202 k( 299) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020202 k( 300) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020202 k( 301) = ( 0.4958333 0.0083333 0.5000000), wk = 0.0020202 k( 302) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0020202 k( 303) = ( 0.4875000 0.0250000 0.5000000), wk = 0.0020202 k( 304) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0020202 k( 305) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0020202 k( 306) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0020202 k( 307) = ( 0.4708333 0.0583333 0.5000000), wk = 0.0020202 k( 308) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0020202 k( 309) = ( 0.4625000 0.0750000 0.5000000), wk = 0.0020202 k( 310) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0020202 k( 311) = ( 0.4541667 0.0916667 0.5000000), wk = 0.0020202 k( 312) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0020202 k( 313) = ( 0.4458333 0.1083333 0.5000000), wk = 0.0020202 k( 314) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0020202 k( 315) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0020202 k( 316) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0020202 k( 317) = ( 0.4291667 0.1416667 0.5000000), wk = 0.0020202 k( 318) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0020202 k( 319) = ( 0.4208333 0.1583333 0.5000000), wk = 0.0020202 k( 320) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0020202 k( 321) = ( 0.4125000 0.1750000 0.5000000), wk = 0.0020202 k( 322) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0020202 k( 323) = ( 0.4041667 0.1916667 0.5000000), wk = 0.0020202 k( 324) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0020202 k( 325) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0020202 k( 326) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0020202 k( 327) = ( 0.3875000 0.2250000 0.5000000), wk = 0.0020202 k( 328) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0020202 k( 329) = ( 0.3791667 0.2416667 0.5000000), wk = 0.0020202 k( 330) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0020202 k( 331) = ( 0.3708333 0.2583333 0.5000000), wk = 0.0020202 k( 332) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0020202 k( 333) = ( 0.3625000 0.2750000 0.5000000), wk = 0.0020202 k( 334) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0020202 k( 335) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0020202 k( 336) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0020202 k( 337) = ( 0.3458333 0.3083333 0.5000000), wk = 0.0020202 k( 338) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0020202 k( 339) = ( 0.3375000 0.3250000 0.5000000), wk = 0.0020202 k( 340) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020202 k( 341) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020202 k( 342) = ( 0.3291667 0.3291667 0.5000000), wk = 0.0020202 k( 343) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0020202 k( 344) = ( 0.3208333 0.3208333 0.5000000), wk = 0.0020202 k( 345) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0020202 k( 346) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0020202 k( 347) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0020202 k( 348) = ( 0.3041667 0.3041667 0.5000000), wk = 0.0020202 k( 349) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0020202 k( 350) = ( 0.2958333 0.2958333 0.5000000), wk = 0.0020202 k( 351) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0020202 k( 352) = ( 0.2875000 0.2875000 0.5000000), wk = 0.0020202 k( 353) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0020202 k( 354) = ( 0.2791667 0.2791667 0.5000000), wk = 0.0020202 k( 355) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0020202 k( 356) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0020202 k( 357) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0020202 k( 358) = ( 0.2625000 0.2625000 0.5000000), wk = 0.0020202 k( 359) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0020202 k( 360) = ( 0.2541667 0.2541667 0.5000000), wk = 0.0020202 k( 361) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020202 k( 362) = ( 0.2458333 0.2458333 0.5000000), wk = 0.0020202 k( 363) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0020202 k( 364) = ( 0.2375000 0.2375000 0.5000000), wk = 0.0020202 k( 365) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0020202 k( 366) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0020202 k( 367) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0020202 k( 368) = ( 0.2208333 0.2208333 0.5000000), wk = 0.0020202 k( 369) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0020202 k( 370) = ( 0.2125000 0.2125000 0.5000000), wk = 0.0020202 k( 371) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0020202 k( 372) = ( 0.2041667 0.2041667 0.5000000), wk = 0.0020202 k( 373) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0020202 k( 374) = ( 0.1958333 0.1958333 0.5000000), wk = 0.0020202 k( 375) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0020202 k( 376) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0020202 k( 377) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0020202 k( 378) = ( 0.1791667 0.1791667 0.5000000), wk = 0.0020202 k( 379) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0020202 k( 380) = ( 0.1708333 0.1708333 0.5000000), wk = 0.0020202 k( 381) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0020202 k( 382) = ( 0.1625000 0.1625000 0.5000000), wk = 0.0020202 k( 383) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0020202 k( 384) = ( 0.1541667 0.1541667 0.5000000), wk = 0.0020202 k( 385) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0020202 k( 386) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0020202 k( 387) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0020202 k( 388) = ( 0.1375000 0.1375000 0.5000000), wk = 0.0020202 k( 389) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0020202 k( 390) = ( 0.1291667 0.1291667 0.5000000), wk = 0.0020202 k( 391) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0020202 k( 392) = ( 0.1208333 0.1208333 0.5000000), wk = 0.0020202 k( 393) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0020202 k( 394) = ( 0.1125000 0.1125000 0.5000000), wk = 0.0020202 k( 395) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0020202 k( 396) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0020202 k( 397) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0020202 k( 398) = ( 0.0958333 0.0958333 0.5000000), wk = 0.0020202 k( 399) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0020202 k( 400) = ( 0.0875000 0.0875000 0.5000000), wk = 0.0020202 k( 401) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0020202 k( 402) = ( 0.0791667 0.0791667 0.5000000), wk = 0.0020202 k( 403) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0020202 k( 404) = ( 0.0708333 0.0708333 0.5000000), wk = 0.0020202 k( 405) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0020202 k( 406) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0020202 k( 407) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0020202 k( 408) = ( 0.0541667 0.0541667 0.5000000), wk = 0.0020202 k( 409) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0020202 k( 410) = ( 0.0458333 0.0458333 0.5000000), wk = 0.0020202 k( 411) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0020202 k( 412) = ( 0.0375000 0.0375000 0.5000000), wk = 0.0020202 k( 413) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0020202 k( 414) = ( 0.0291667 0.0291667 0.5000000), wk = 0.0020202 k( 415) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0020202 k( 416) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0020202 k( 417) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0020202 k( 418) = ( 0.0125000 0.0125000 0.5000000), wk = 0.0020202 k( 419) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0020202 k( 420) = ( 0.0041667 0.0041667 0.5000000), wk = 0.0020202 k( 421) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020202 k( 422) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020202 k( 423) = ( 0.5000000 0.0000000 0.4861111), wk = 0.0020202 k( 424) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0020202 k( 425) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0020202 k( 426) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0020202 k( 427) = ( 0.5000000 0.0000000 0.4305556), wk = 0.0020202 k( 428) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0020202 k( 429) = ( 0.5000000 0.0000000 0.4027778), wk = 0.0020202 k( 430) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0020202 k( 431) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0020202 k( 432) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0020202 k( 433) = ( 0.5000000 0.0000000 0.3472222), wk = 0.0020202 k( 434) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0020202 k( 435) = ( 0.5000000 0.0000000 0.3194444), wk = 0.0020202 k( 436) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0020202 k( 437) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0020202 k( 438) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0020202 k( 439) = ( 0.5000000 0.0000000 0.2638889), wk = 0.0020202 k( 440) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0020202 k( 441) = ( 0.5000000 0.0000000 0.2361111), wk = 0.0020202 k( 442) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0020202 k( 443) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0020202 k( 444) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0020202 k( 445) = ( 0.5000000 0.0000000 0.1805556), wk = 0.0020202 k( 446) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0020202 k( 447) = ( 0.5000000 0.0000000 0.1527778), wk = 0.0020202 k( 448) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0020202 k( 449) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0020202 k( 450) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0020202 k( 451) = ( 0.5000000 0.0000000 0.0972222), wk = 0.0020202 k( 452) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0020202 k( 453) = ( 0.5000000 0.0000000 0.0694444), wk = 0.0020202 k( 454) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0020202 k( 455) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0020202 k( 456) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0020202 k( 457) = ( 0.5000000 0.0000000 0.0138889), wk = 0.0020202 k( 458) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020202 k( 459) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020202 k( 460) = ( 0.3333333 0.3333333 0.0138889), wk = 0.0020202 k( 461) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0020202 k( 462) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0020202 k( 463) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0020202 k( 464) = ( 0.3333333 0.3333333 0.0694444), wk = 0.0020202 k( 465) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0020202 k( 466) = ( 0.3333333 0.3333333 0.0972222), wk = 0.0020202 k( 467) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0020202 k( 468) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0020202 k( 469) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0020202 k( 470) = ( 0.3333333 0.3333333 0.1527778), wk = 0.0020202 k( 471) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0020202 k( 472) = ( 0.3333333 0.3333333 0.1805556), wk = 0.0020202 k( 473) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0020202 k( 474) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0020202 k( 475) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0020202 k( 476) = ( 0.3333333 0.3333333 0.2361111), wk = 0.0020202 k( 477) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0020202 k( 478) = ( 0.3333333 0.3333333 0.2638889), wk = 0.0020202 k( 479) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0020202 k( 480) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0020202 k( 481) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0020202 k( 482) = ( 0.3333333 0.3333333 0.3194444), wk = 0.0020202 k( 483) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020202 k( 484) = ( 0.3333333 0.3333333 0.3472222), wk = 0.0020202 k( 485) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0020202 k( 486) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0020202 k( 487) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0020202 k( 488) = ( 0.3333333 0.3333333 0.4027778), wk = 0.0020202 k( 489) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0020202 k( 490) = ( 0.3333333 0.3333333 0.4305556), wk = 0.0020202 k( 491) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0020202 k( 492) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0020202 k( 493) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0020202 k( 494) = ( 0.3333333 0.3333333 0.4861111), wk = 0.0020202 k( 495) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020202 Dense grid: 17813 G-vectors FFT dimensions: ( 30, 30, 48) Smooth grid: 8629 G-vectors FFT dimensions: ( 24, 24, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 52, 20) NL pseudopotentials 0.02 Mb ( 26, 48) Each V/rho on FFT grid 0.01 Mb ( 900) Each G-vector array 0.00 Mb ( 374) G-vector shells 0.00 Mb ( 193) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 52, 80) Each subspace H/S matrix 0.10 Mb ( 80, 80) Each matrix 0.03 Mb ( 48, 2, 20) The potential is recalculated from file : ./LiIr.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.3 secs Computing kpt #: 2 total cpu time spent up to now is 42.9 secs Computing kpt #: 3 total cpu time spent up to now is 43.2 secs Computing kpt #: 4 total cpu time spent up to now is 43.5 secs Computing kpt #: 5 total cpu time spent up to now is 43.7 secs Computing kpt #: 6 total cpu time spent up to now is 43.9 secs Computing kpt #: 7 total cpu time spent up to now is 44.1 secs Computing kpt #: 8 total cpu time spent up to now is 44.3 secs Computing kpt #: 9 total cpu time spent up to now is 44.5 secs Computing kpt #: 10 total cpu time spent up to now is 44.7 secs Computing kpt #: 11 total cpu time spent up to now is 45.0 secs Computing kpt #: 12 total cpu time spent up to now is 45.3 secs Computing kpt #: 13 total cpu time spent up to now is 45.5 secs Computing kpt #: 14 total cpu time spent up to now is 45.7 secs Computing kpt #: 15 total cpu time spent up to now is 45.9 secs Computing kpt #: 16 total cpu time spent up to now is 46.1 secs Computing kpt #: 17 total cpu time spent up to now is 46.3 secs Computing kpt #: 18 total cpu time spent up to now is 46.4 secs Computing kpt #: 19 total cpu time spent up to now is 46.6 secs Computing kpt #: 20 total cpu time spent up to now is 46.8 secs Computing kpt #: 21 total cpu time spent up to now is 47.0 secs Computing kpt #: 22 total cpu time spent up to now is 47.2 secs Computing kpt #: 23 total cpu time spent up to now is 47.5 secs Computing kpt #: 24 total cpu time spent up to now is 47.8 secs Computing kpt #: 25 total cpu time spent up to now is 48.0 secs Computing kpt #: 26 total cpu time spent up to now is 48.2 secs Computing kpt #: 27 total cpu time spent up to now is 48.5 secs Computing kpt #: 28 total cpu time spent up to now is 48.7 secs Computing kpt #: 29 total cpu time spent up to now is 49.0 secs Computing kpt #: 30 total cpu time spent up to now is 49.2 secs Computing kpt #: 31 total cpu time spent up to now is 49.5 secs Computing kpt #: 32 total cpu time spent up to now is 49.7 secs Computing kpt #: 33 total cpu time spent up to now is 49.9 secs Computing kpt #: 34 total cpu time spent up to now is 50.2 secs Computing kpt #: 35 total cpu time spent up to now is 50.4 secs Computing kpt #: 36 total cpu time spent up to now is 50.7 secs Computing kpt #: 37 total cpu time spent up to now is 51.0 secs Computing kpt #: 38 total cpu time spent up to now is 51.2 secs Computing kpt #: 39 total cpu time spent up to now is 51.5 secs Computing kpt #: 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57.3 secs Computing kpt #: 56 total cpu time spent up to now is 57.6 secs Computing kpt #: 57 total cpu time spent up to now is 58.2 secs Computing kpt #: 58 total cpu time spent up to now is 58.6 secs Computing kpt #: 59 total cpu time spent up to now is 59.6 secs Computing kpt #: 60 total cpu time spent up to now is 60.0 secs Computing kpt #: 61 total cpu time spent up to now is 60.5 secs Computing kpt #: 62 total cpu time spent up to now is 60.9 secs Computing kpt #: 63 total cpu time spent up to now is 61.3 secs Computing kpt #: 64 total cpu time spent up to now is 61.6 secs Computing kpt #: 65 total cpu time spent up to now is 62.0 secs Computing kpt #: 66 total cpu time spent up to now is 62.3 secs Computing kpt #: 67 total cpu time spent up to now is 62.6 secs Computing kpt #: 68 total cpu time spent up to now is 62.9 secs Computing kpt #: 69 total cpu time spent up to now is 63.2 secs Computing kpt #: 70 total cpu time spent up to now is 63.4 secs Computing kpt #: 71 total cpu time spent up to now is 63.7 secs Computing kpt #: 72 total cpu time spent up to now is 64.0 secs Computing kpt #: 73 total cpu time spent up to now is 64.2 secs Computing kpt #: 74 total cpu time spent up to now is 64.5 secs Computing kpt #: 75 total cpu time spent up to now is 64.8 secs Computing kpt #: 76 total cpu time spent up to now is 65.1 secs Computing kpt #: 77 total cpu time spent up to now is 65.3 secs Computing kpt #: 78 total cpu time spent up to now is 65.6 secs Computing kpt #: 79 total cpu time spent up to now is 66.0 secs Computing kpt #: 80 total cpu time spent up to now is 66.3 secs Computing kpt #: 81 total cpu time spent up to now is 66.6 secs Computing kpt #: 82 total cpu time spent up to now is 67.0 secs Computing kpt #: 83 total cpu time spent up to now is 67.3 secs Computing kpt #: 84 total cpu time spent up to now is 67.7 secs Computing kpt #: 85 total cpu time spent up to now is 68.0 secs Computing kpt #: 86 total cpu time spent up to now is 68.4 secs Computing kpt #: 87 total cpu time spent up to now is 68.7 secs Computing kpt #: 88 total cpu time spent up to now is 69.1 secs Computing kpt #: 89 total cpu time spent up to now is 69.5 secs Computing kpt #: 90 total cpu time spent up to now is 69.9 secs Computing kpt #: 91 total cpu time spent up to now is 70.3 secs Computing kpt #: 92 total cpu time spent up to now is 70.7 secs Computing kpt #: 93 total cpu time spent up to now is 71.0 secs Computing kpt #: 94 total cpu time spent up to now is 71.4 secs Computing kpt #: 95 total cpu time spent up to now is 71.8 secs Computing kpt #: 96 total cpu time spent up to now is 72.1 secs Computing kpt #: 97 total cpu time spent up to now is 72.5 secs Computing kpt #: 98 total cpu time spent up to now is 72.7 secs Computing kpt #: 99 total cpu time spent up to now is 73.0 secs Computing kpt #: 100 total cpu time spent up to now is 73.3 secs Computing kpt #: 101 total cpu time spent up to now is 73.6 secs Computing kpt #: 102 total cpu time spent up to now is 73.9 secs Computing kpt #: 103 total cpu time spent up to now is 74.1 secs Computing kpt #: 104 total cpu time spent up to now is 74.4 secs Computing kpt #: 105 total cpu time spent up to now is 74.8 secs Computing kpt #: 106 total cpu time spent up to now is 75.2 secs Computing kpt #: 107 total cpu time spent up to now is 75.5 secs Computing kpt #: 108 total cpu time spent up to now is 75.8 secs Computing kpt #: 109 total cpu time spent up to now is 76.1 secs Computing kpt #: 110 total cpu time spent up to now is 76.4 secs Computing kpt #: 111 total cpu time spent up to now is 76.7 secs Computing kpt #: 112 total cpu time spent up to now is 77.0 secs Computing kpt #: 113 total cpu time spent up to now is 77.4 secs Computing kpt #: 114 total cpu time spent up to now is 77.9 secs Computing kpt #: 115 total cpu time spent up to now is 78.3 secs Computing kpt #: 116 total cpu time spent up to now is 78.6 secs Computing kpt #: 117 total cpu time spent up to now is 78.8 secs Computing kpt #: 118 total cpu time spent up to now is 79.4 secs Computing kpt #: 119 total cpu time spent up to now is 79.7 secs Computing kpt #: 120 total cpu time spent up to now is 80.1 secs Computing kpt #: 121 total cpu time spent up to now is 80.3 secs Computing kpt #: 122 total cpu time spent up to now is 80.6 secs Computing kpt #: 123 total cpu time spent up to now is 80.9 secs Computing kpt #: 124 total cpu time spent up to now is 81.1 secs Computing kpt #: 125 total cpu time spent up to now is 81.4 secs Computing kpt #: 126 total cpu time spent up to now is 81.7 secs Computing kpt #: 127 total cpu time spent up to now is 81.9 secs Computing kpt #: 128 total cpu time spent up to now is 82.2 secs Computing kpt #: 129 total cpu time spent up to now is 82.6 secs Computing kpt #: 130 total cpu time spent up to now is 83.1 secs Computing kpt #: 131 total cpu time spent up to now is 83.6 secs Computing kpt #: 132 total cpu time spent up to now is 84.2 secs Computing kpt #: 133 total cpu time spent up to now is 84.7 secs Computing kpt #: 134 total cpu time spent up to now is 85.2 secs Computing kpt #: 135 total cpu time spent up to now is 85.6 secs Computing kpt #: 136 total cpu time spent up to now is 86.1 secs Computing kpt #: 137 total cpu time spent up to now is 86.6 secs Computing kpt #: 138 total cpu time spent up to now is 86.9 secs Computing kpt #: 139 total cpu time spent up to now is 87.3 secs Computing kpt #: 140 total cpu time spent up to now is 87.7 secs Computing kpt #: 141 total cpu time spent up to now is 88.4 secs Computing kpt #: 142 total cpu time spent up to now is 88.7 secs Computing kpt #: 143 total cpu time spent up to now is 89.2 secs Computing kpt #: 144 total cpu time spent up to now is 89.6 secs Computing kpt #: 145 total cpu time spent up to now is 89.9 secs Computing kpt #: 146 total cpu time spent up to now is 90.2 secs Computing kpt #: 147 total cpu time spent up to now is 90.5 secs Computing kpt #: 148 total cpu time spent up to now is 90.8 secs Computing kpt #: 149 total cpu time spent up to now is 91.0 secs Computing kpt #: 150 total cpu time spent up to now is 91.3 secs Computing kpt #: 151 total cpu time spent up to now is 91.5 secs Computing kpt #: 152 total cpu time spent up to now is 91.8 secs Computing kpt #: 153 total cpu time spent up to now is 92.0 secs Computing kpt #: 154 total cpu time spent up to now is 92.3 secs Computing kpt #: 155 total cpu time spent up to now is 92.6 secs Computing kpt #: 156 total cpu time spent up to now is 92.8 secs Computing kpt #: 157 total cpu time spent up to now is 93.2 secs Computing kpt #: 158 total cpu time spent up to now is 93.4 secs Computing kpt #: 159 total cpu time spent up to now is 93.7 secs Computing kpt #: 160 total cpu time spent up to now is 93.9 secs Computing kpt #: 161 total cpu time spent up to now is 94.2 secs Computing kpt #: 162 total cpu time spent up to now is 94.5 secs Computing kpt #: 163 total cpu time spent up to now is 94.8 secs Computing kpt #: 164 total cpu time spent up to now is 95.1 secs Computing kpt #: 165 total cpu time spent up to now is 95.4 secs Computing kpt #: 166 total cpu time spent up to now is 95.7 secs Computing kpt #: 167 total cpu time spent up to now is 96.0 secs Computing kpt #: 168 total cpu time spent up to now is 96.2 secs Computing kpt #: 169 total cpu time spent up to now is 96.4 secs Computing kpt #: 170 total cpu time spent up to now is 96.6 secs Computing kpt #: 171 total cpu time spent up to now is 96.8 secs Computing kpt #: 172 total cpu time spent up to now is 97.0 secs Computing kpt #: 173 total cpu time spent up to now is 97.2 secs Computing kpt #: 174 total cpu time spent up to now is 97.5 secs Computing kpt #: 175 total cpu time spent up to now is 97.7 secs Computing kpt #: 176 total cpu time spent up to now is 97.9 secs Computing kpt #: 177 total cpu time spent up to now is 98.1 secs Computing kpt #: 178 total cpu time spent up to now is 98.3 secs Computing kpt #: 179 total cpu time spent up to now is 98.5 secs Computing kpt #: 180 total cpu time spent up to now is 98.8 secs Computing kpt #: 181 total cpu time spent up to now is 99.0 secs Computing kpt #: 182 total cpu time spent up to now is 99.2 secs Computing kpt #: 183 total cpu time spent up to now is 99.5 secs Computing kpt #: 184 total cpu time spent up to now is 99.7 secs Computing kpt #: 185 total cpu time spent up to now is 100.0 secs Computing kpt #: 186 total cpu time spent up to now is 100.3 secs Computing kpt #: 187 total cpu time spent up to now is 100.8 secs Computing kpt #: 188 total cpu time spent up to now is 101.3 secs Computing kpt #: 189 total cpu time spent up to now is 101.5 secs Computing kpt #: 190 total cpu time spent up to now is 101.7 secs Computing kpt #: 191 total cpu time spent up to now is 102.0 secs Computing kpt #: 192 total cpu time spent up to now is 102.3 secs Computing kpt #: 193 total cpu time spent up to now is 102.6 secs Computing kpt #: 194 total cpu time spent up to now is 102.8 secs Computing kpt #: 195 total cpu time spent up to now is 103.0 secs Computing kpt #: 196 total cpu time spent up to now is 103.3 secs Computing kpt #: 197 total cpu time spent up to now is 103.6 secs Computing kpt #: 198 total cpu time spent up to now is 103.8 secs Computing kpt #: 199 total cpu time spent up to now is 104.1 secs Computing kpt #: 200 total cpu time spent up to now is 104.4 secs Computing kpt #: 201 total cpu time spent up to now is 104.5 secs Computing kpt #: 202 total cpu time spent up to now is 104.8 secs Computing kpt #: 203 total cpu time spent up to now is 105.1 secs Computing kpt #: 204 total cpu time spent up to now is 105.3 secs Computing kpt #: 205 total cpu time spent up to now is 105.5 secs Computing kpt #: 206 total cpu time spent up to now is 105.8 secs Computing kpt #: 207 total cpu time spent up to now is 106.2 secs Computing kpt #: 208 total cpu time spent up to now is 106.7 secs Computing kpt #: 209 total cpu time spent up to now is 107.1 secs Computing kpt #: 210 total cpu time spent up to now is 107.6 secs Computing kpt #: 211 total cpu time spent up to now is 108.1 secs Computing kpt #: 212 total cpu time spent up to now is 108.6 secs Computing kpt #: 213 total cpu time spent up to now is 109.2 secs Computing kpt #: 214 total cpu time spent up to now is 109.6 secs Computing kpt #: 215 total cpu time spent up to now is 109.9 secs Computing kpt #: 216 total cpu time spent up to now is 110.2 secs Computing kpt #: 217 total cpu time spent up to now is 110.6 secs Computing kpt #: 218 total cpu time spent up to now is 110.8 secs Computing kpt #: 219 total cpu time spent up to now is 111.8 secs Computing kpt #: 220 total cpu time spent up to now is 112.1 secs Computing kpt #: 221 total cpu time spent up to now is 112.4 secs Computing kpt #: 222 total cpu time spent up to now is 112.6 secs Computing kpt #: 223 total cpu time spent up to now is 112.8 secs Computing kpt #: 224 total cpu time spent up to now is 113.1 secs Computing kpt #: 225 total cpu time spent up to now is 113.3 secs Computing kpt #: 226 total cpu time spent up to now is 113.6 secs Computing kpt #: 227 total cpu time spent up to now is 113.7 secs Computing kpt #: 228 total cpu time spent up to now is 113.9 secs Computing kpt #: 229 total cpu time spent up to now is 114.1 secs Computing kpt #: 230 total cpu time spent up to now is 114.3 secs Computing kpt #: 231 total cpu time spent up to now is 114.5 secs Computing kpt #: 232 total cpu time spent up to now is 114.7 secs Computing kpt #: 233 total cpu time spent up to now is 114.9 secs Computing kpt #: 234 total cpu time spent up to now is 115.1 secs Computing kpt #: 235 total cpu time spent up to now is 115.6 secs Computing kpt #: 236 total cpu time spent up to now is 115.8 secs Computing kpt #: 237 total cpu time spent up to now is 116.0 secs Computing kpt #: 238 total cpu time spent up to now is 116.2 secs Computing kpt #: 239 total cpu time spent up to now is 116.4 secs Computing kpt #: 240 total cpu time spent up to now is 116.6 secs Computing kpt #: 241 total cpu time spent up to now is 117.1 secs Computing kpt #: 242 total cpu time spent up to now is 117.3 secs Computing kpt #: 243 total cpu time spent up to now is 117.7 secs Computing kpt #: 244 total cpu time spent up to now is 118.0 secs Computing kpt #: 245 total cpu time spent up to now is 118.3 secs Computing kpt #: 246 total cpu time spent up to now is 118.7 secs Computing kpt #: 247 total cpu time spent up to now is 119.4 secs Computing kpt #: 248 total cpu time spent up to now is 119.8 secs Computing kpt #: 249 total cpu time spent up to now is 120.1 secs Computing kpt #: 250 total cpu time spent up to now is 120.5 secs Computing kpt #: 251 total cpu time spent up to now is 120.8 secs Computing kpt #: 252 total cpu time spent up to now is 121.1 secs Computing kpt #: 253 total cpu time spent up to now is 121.8 secs Computing kpt #: 254 total cpu time spent up to now is 122.0 secs Computing kpt #: 255 total cpu time spent up to now is 122.2 secs Computing kpt #: 256 total cpu time spent up to now is 122.5 secs Computing kpt #: 257 total cpu time spent up to now is 122.7 secs Computing kpt #: 258 total cpu time spent up to now is 123.0 secs Computing kpt #: 259 total cpu time spent up to now is 123.2 secs Computing kpt #: 260 total cpu time spent up to now is 123.5 secs Computing kpt #: 261 total cpu time spent up to now is 123.7 secs Computing kpt #: 262 total cpu time spent up to now is 123.9 secs Computing kpt #: 263 total cpu time spent up to now is 124.4 secs Computing kpt #: 264 total cpu time spent up to now is 124.6 secs Computing kpt #: 265 total cpu time spent up to now is 124.8 secs Computing kpt #: 266 total cpu time spent up to now is 125.1 secs Computing kpt #: 267 total cpu time spent up to now is 125.3 secs Computing kpt #: 268 total cpu time spent up to now is 125.5 secs Computing kpt #: 269 total cpu time spent up to now is 125.7 secs Computing kpt #: 270 total cpu time spent up to now is 126.0 secs Computing kpt #: 271 total cpu time spent up to now is 126.3 secs Computing kpt #: 272 total cpu time spent up to now is 126.8 secs Computing kpt #: 273 total cpu time spent up to now is 127.4 secs Computing kpt #: 274 total cpu time spent up to now is 128.7 secs Computing kpt #: 275 total cpu time spent up to now is 129.7 secs Computing kpt #: 276 total cpu time spent up to now is 131.0 secs Computing kpt #: 277 total cpu time spent up to now is 131.6 secs Computing kpt #: 278 total cpu time spent up to now is 132.0 secs Computing kpt #: 279 total cpu time spent up to now is 132.2 secs Computing kpt #: 280 total cpu time spent up to now is 132.4 secs Computing kpt #: 281 total cpu time spent up to now is 132.6 secs Computing kpt #: 282 total cpu time spent up to now is 132.9 secs Computing kpt #: 283 total cpu time spent up to now is 133.1 secs Computing kpt #: 284 total cpu time spent up to now is 133.3 secs Computing kpt #: 285 total cpu time spent up to now is 133.7 secs Computing kpt #: 286 total cpu time spent up to now is 134.0 secs Computing kpt #: 287 total cpu time spent up to now is 134.2 secs Computing kpt #: 288 total cpu time spent up to now is 134.5 secs Computing kpt #: 289 total cpu time spent up to now is 134.8 secs Computing kpt #: 290 total cpu time spent up to now is 135.0 secs Computing kpt #: 291 total cpu time spent up to now is 135.3 secs Computing kpt #: 292 total cpu time spent up to now is 135.7 secs Computing kpt #: 293 total cpu time spent up to now is 136.0 secs Computing kpt #: 294 total cpu time spent up to now is 136.3 secs Computing kpt #: 295 total cpu time spent up to now is 136.6 secs Computing kpt #: 296 total cpu time spent up to now is 136.9 secs Computing kpt #: 297 total cpu time spent up to now is 137.2 secs Computing kpt #: 298 total cpu time spent up to now is 137.7 secs Computing kpt #: 299 total cpu time spent up to now is 138.1 secs Computing kpt #: 300 total cpu time spent up to now is 138.5 secs Computing kpt #: 301 total cpu time spent up to now is 138.8 secs Computing kpt #: 302 total cpu time spent up to now is 139.1 secs Computing kpt #: 303 total cpu time spent up to now is 139.4 secs Computing kpt #: 304 total cpu time spent up to now is 139.7 secs Computing kpt #: 305 total cpu time spent up to now is 140.0 secs Computing kpt #: 306 total cpu time spent up to now is 140.3 secs Computing kpt #: 307 total cpu time spent up to now is 140.7 secs Computing kpt #: 308 total cpu time spent up to now is 141.2 secs Computing kpt #: 309 total cpu time spent up to now is 141.7 secs Computing kpt #: 310 total cpu time spent up to now is 142.2 secs Computing kpt #: 311 total cpu time spent up to now is 142.7 secs Computing kpt #: 312 total cpu time spent up to now is 143.1 secs Computing kpt #: 313 total cpu time spent up to now is 143.5 secs Computing kpt #: 314 total cpu time spent up to now is 144.0 secs Computing kpt #: 315 total cpu time spent up to now is 144.7 secs Computing kpt #: 316 total cpu time spent up to now is 145.2 secs Computing kpt #: 317 total cpu time spent up to now is 145.7 secs Computing kpt #: 318 total cpu time spent up to now is 146.0 secs Computing kpt #: 319 total cpu time spent up to now is 146.8 secs Computing kpt #: 320 total cpu time spent up to now is 147.6 secs Computing kpt #: 321 total cpu time spent up to now is 148.3 secs Computing kpt #: 322 total cpu time spent up to now is 149.0 secs Computing kpt #: 323 total cpu time spent up to now is 149.8 secs Computing kpt #: 324 total cpu time spent up to now is 150.7 secs Computing kpt #: 325 total cpu time spent up to now is 151.2 secs Computing kpt #: 326 total cpu time spent up to now is 151.5 secs Computing kpt #: 327 total cpu time spent up to now is 151.8 secs Computing kpt #: 328 total cpu time spent up to now is 152.1 secs Computing kpt #: 329 total cpu time spent up to now is 152.4 secs Computing kpt #: 330 total cpu time spent up to now is 152.8 secs Computing kpt #: 331 total cpu time spent up to now is 153.1 secs Computing kpt #: 332 total cpu time spent up to now is 153.4 secs Computing kpt #: 333 total cpu time spent up to now is 153.7 secs Computing kpt #: 334 total cpu time spent up to now is 154.0 secs Computing kpt #: 335 total cpu time spent up to now is 154.3 secs Computing kpt #: 336 total cpu time spent up to now is 154.7 secs Computing kpt #: 337 total cpu time spent up to now is 155.0 secs Computing kpt #: 338 total cpu time spent up to now is 155.4 secs Computing kpt #: 339 total cpu time spent up to now is 155.7 secs Computing kpt #: 340 total cpu time spent up to now is 156.2 secs Computing kpt #: 341 total cpu time spent up to now is 156.9 secs Computing kpt #: 342 total cpu time spent up to now is 157.5 secs Computing kpt #: 343 total cpu time spent up to now is 158.0 secs Computing kpt #: 344 total cpu time spent up to now is 159.1 secs Computing kpt #: 345 total cpu time spent up to now is 159.8 secs Computing kpt #: 346 total cpu time spent up to now is 160.3 secs Computing kpt #: 347 total cpu time spent up to now is 160.7 secs Computing kpt #: 348 total cpu time spent up to now is 161.7 secs Computing kpt #: 349 total cpu time spent up to now is 162.6 secs Computing kpt #: 350 total cpu time spent up to now is 163.2 secs Computing kpt #: 351 total cpu time spent up to now is 163.9 secs Computing kpt #: 352 total cpu time spent up to now is 164.3 secs Computing kpt #: 353 total cpu time spent up to now is 164.8 secs Computing kpt #: 354 total cpu time spent up to now is 165.3 secs Computing kpt #: 355 total cpu time spent up to now is 166.0 secs Computing kpt #: 356 total cpu time spent up to now is 166.5 secs Computing kpt #: 357 total cpu time spent up to now is 166.9 secs Computing kpt #: 358 total cpu time spent up to now is 167.2 secs Computing kpt #: 359 total cpu time spent up to now is 167.5 secs Computing kpt #: 360 total cpu time spent up to now is 167.8 secs Computing kpt #: 361 total cpu time spent up to now is 168.1 secs Computing kpt #: 362 total cpu time spent up to now is 168.3 secs Computing kpt #: 363 total cpu time spent up to now is 168.6 secs Computing kpt #: 364 total cpu time spent up to now is 168.9 secs Computing kpt #: 365 total cpu time spent up to now is 169.3 secs Computing kpt #: 366 total cpu time spent up to now is 169.9 secs Computing kpt #: 367 total cpu time spent up to now is 170.6 secs Computing kpt #: 368 total cpu time spent up to now is 171.2 secs Computing kpt #: 369 total cpu time spent up to now is 171.9 secs Computing kpt #: 370 total cpu time spent up to now is 172.6 secs Computing kpt #: 371 total cpu time spent up to now is 173.5 secs Computing kpt #: 372 total cpu time spent up to now is 174.1 secs Computing kpt #: 373 total cpu time spent up to now is 174.6 secs Computing kpt #: 374 total cpu time spent up to now is 175.0 secs Computing kpt #: 375 total cpu time spent up to now is 175.3 secs Computing kpt #: 376 total cpu time spent up to now is 175.6 secs Computing kpt #: 377 total cpu time spent up to now is 175.8 secs Computing kpt #: 378 total cpu time spent up to now is 176.5 secs Computing kpt #: 379 total cpu time spent up to now is 177.0 secs Computing kpt #: 380 total cpu time spent up to now is 177.3 secs Computing kpt #: 381 total cpu time spent up to now is 177.7 secs Computing kpt #: 382 total cpu time spent up to now is 178.0 secs Computing kpt #: 383 total cpu time spent up to now is 178.4 secs Computing kpt #: 384 total cpu time spent up to now is 178.6 secs Computing kpt #: 385 total cpu time spent up to now is 179.1 secs Computing kpt #: 386 total cpu time spent up to now is 179.4 secs Computing kpt #: 387 total cpu time spent up to now is 179.7 secs Computing kpt #: 388 total cpu time spent up to now is 180.0 secs Computing kpt #: 389 total cpu time spent up to now is 180.2 secs Computing kpt #: 390 total cpu time spent up to now is 180.5 secs Computing kpt #: 391 total cpu time spent up to now is 180.7 secs Computing kpt #: 392 total cpu time spent up to now is 181.0 secs Computing kpt #: 393 total cpu time spent up to now is 181.2 secs Computing kpt #: 394 total cpu time spent up to now is 181.5 secs Computing kpt #: 395 total cpu time spent up to now is 181.7 secs Computing kpt #: 396 total cpu time spent up to now is 181.9 secs Computing kpt #: 397 total cpu time spent up to now is 182.2 secs Computing kpt #: 398 total cpu time spent up to now is 182.4 secs Computing kpt #: 399 total cpu time spent up to now is 182.6 secs Computing kpt #: 400 total cpu time spent up to now is 182.9 secs Computing kpt #: 401 total cpu time spent up to now is 183.1 secs Computing kpt #: 402 total cpu time spent up to now is 183.3 secs Computing kpt #: 403 total cpu time spent up to now is 183.5 secs Computing kpt #: 404 total cpu time spent up to now is 183.8 secs Computing kpt #: 405 total cpu time spent up to now is 184.0 secs Computing kpt #: 406 total cpu time spent up to now is 184.2 secs Computing kpt #: 407 total cpu time spent up to now is 184.4 secs Computing kpt #: 408 total cpu time spent up to now is 184.6 secs Computing kpt #: 409 total cpu time spent up to now is 184.8 secs Computing kpt #: 410 total cpu time spent up to now is 185.0 secs Computing kpt #: 411 total cpu time spent up to now is 185.3 secs Computing kpt #: 412 total cpu time spent up to now is 185.5 secs Computing kpt #: 413 total cpu time spent up to now is 185.7 secs Computing kpt #: 414 total cpu time spent up to now is 185.9 secs Computing kpt #: 415 total cpu time spent up to now is 186.0 secs Computing kpt #: 416 total cpu time spent up to now is 186.2 secs Computing kpt #: 417 total cpu time spent up to now is 186.4 secs Computing kpt #: 418 total cpu time spent up to now is 186.6 secs Computing kpt #: 419 total cpu time spent up to now is 186.8 secs Computing kpt #: 420 total cpu time spent up to now is 187.0 secs Computing kpt #: 421 total cpu time spent up to now is 187.2 secs Computing kpt #: 422 total cpu time spent up to now is 187.5 secs Computing kpt #: 423 total cpu time spent up to now is 187.9 secs Computing kpt #: 424 total cpu time spent up to now is 188.2 secs Computing kpt #: 425 total cpu time spent up to now is 188.6 secs Computing kpt #: 426 total cpu time spent up to now is 189.0 secs Computing kpt #: 427 total cpu time spent up to now is 189.9 secs Computing kpt #: 428 total cpu time spent up to now is 190.7 secs Computing kpt #: 429 total cpu time spent up to now is 191.7 secs Computing kpt #: 430 total cpu time spent up to now is 192.7 secs Computing kpt #: 431 total cpu time spent up to now is 193.6 secs Computing kpt #: 432 total cpu time spent up to now is 194.0 secs Computing kpt #: 433 total cpu time spent up to now is 194.9 secs Computing kpt #: 434 total cpu time spent up to now is 195.4 secs Computing kpt #: 435 total cpu time spent up to now is 196.1 secs Computing kpt #: 436 total cpu time spent up to now is 196.4 secs Computing kpt #: 437 total cpu time spent up to now is 196.7 secs Computing kpt #: 438 total cpu time spent up to now is 197.0 secs Computing kpt #: 439 total cpu time spent up to now is 197.3 secs Computing kpt #: 440 total cpu time spent up to now is 197.6 secs Computing kpt #: 441 total cpu time spent up to now is 197.9 secs Computing kpt #: 442 total cpu time spent up to now is 198.2 secs Computing kpt #: 443 total cpu time spent up to now is 198.5 secs Computing kpt #: 444 total cpu time spent up to now is 198.8 secs Computing kpt #: 445 total cpu time spent up to now is 199.1 secs Computing kpt #: 446 total cpu time spent up to now is 199.4 secs Computing kpt #: 447 total cpu time spent up to now is 199.7 secs Computing kpt #: 448 total cpu time spent up to now is 200.0 secs Computing kpt #: 449 total cpu time spent up to now is 200.4 secs Computing kpt #: 450 total cpu time spent up to now is 200.7 secs Computing kpt #: 451 total cpu time spent up to now is 201.2 secs Computing kpt #: 452 total cpu time spent up to now is 201.7 secs Computing kpt #: 453 total cpu time spent up to now is 202.2 secs Computing kpt #: 454 total cpu time spent up to now is 202.5 secs Computing kpt #: 455 total cpu time spent up to now is 202.9 secs Computing kpt #: 456 total cpu time spent up to now is 203.2 secs Computing kpt #: 457 total cpu time spent up to now is 203.6 secs Computing kpt #: 458 total cpu time spent up to now is 204.1 secs Computing kpt #: 459 total cpu time spent up to now is 204.4 secs Computing kpt #: 460 total cpu time spent up to now is 204.7 secs Computing kpt #: 461 total cpu time spent up to now is 204.9 secs Computing kpt #: 462 total cpu time spent up to now is 205.3 secs Computing kpt #: 463 total cpu time spent up to now is 205.6 secs Computing kpt #: 464 total cpu time spent up to now is 205.9 secs Computing kpt #: 465 total cpu time spent up to now is 206.2 secs Computing kpt #: 466 total cpu time spent up to now is 206.4 secs Computing kpt #: 467 total cpu time spent up to now is 206.8 secs Computing kpt #: 468 total cpu time spent up to now is 207.1 secs Computing kpt #: 469 total cpu time spent up to now is 208.0 secs Computing kpt #: 470 total cpu time spent up to now is 208.3 secs Computing kpt #: 471 total cpu time spent up to now is 208.6 secs Computing kpt #: 472 total cpu time spent up to now is 209.6 secs Computing kpt #: 473 total cpu time spent up to now is 210.4 secs Computing kpt #: 474 total cpu time spent up to now is 211.2 secs Computing kpt #: 475 total cpu time spent up to now is 212.4 secs Computing kpt #: 476 total cpu time spent up to now is 213.0 secs Computing kpt #: 477 total cpu time spent up to now is 213.4 secs Computing kpt #: 478 total cpu time spent up to now is 213.7 secs Computing kpt #: 479 total cpu time spent up to now is 214.1 secs Computing kpt #: 480 total cpu time spent up to now is 214.3 secs Computing kpt #: 481 total cpu time spent up to now is 214.7 secs Computing kpt #: 482 total cpu time spent up to now is 215.0 secs Computing kpt #: 483 total cpu time spent up to now is 215.3 secs Computing kpt #: 484 total cpu time spent up to now is 215.6 secs Computing kpt #: 485 total cpu time spent up to now is 215.9 secs Computing kpt #: 486 total cpu time spent up to now is 216.2 secs Computing kpt #: 487 total cpu time spent up to now is 216.5 secs Computing kpt #: 488 total cpu time spent up to now is 216.8 secs Computing kpt #: 489 total cpu time spent up to now is 217.1 secs Computing kpt #: 490 total cpu time spent up to now is 217.4 secs Computing kpt #: 491 total cpu time spent up to now is 217.7 secs Computing kpt #: 492 total cpu time spent up to now is 218.1 secs Computing kpt #: 493 total cpu time spent up to now is 218.6 secs Computing kpt #: 494 total cpu time spent up to now is 219.0 secs Computing kpt #: 495 total cpu time spent up to now is 219.3 secs ethr = 8.33E-11, avg # of iterations = 29.4 total cpu time spent up to now is 219.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1099 PWs) bands (ev): -34.4468 -34.4468 2.5584 2.5584 6.4871 6.4871 7.7652 7.7652 8.8053 8.8053 10.7626 10.7626 11.2063 11.2063 11.8413 11.8413 18.0889 18.0889 19.2307 19.2307 k = 0.0072 0.0042-0.0000 ( 1099 PWs) bands (ev): -34.4467 -34.4467 2.5607 2.5607 6.4879 6.4879 7.7653 7.7653 8.8055 8.8055 10.7433 10.7433 11.2201 11.2201 11.8469 11.8469 18.0888 18.0888 19.2307 19.2307 k = 0.0145 0.0084-0.0000 ( 1099 PWs) bands (ev): -34.4467 -34.4467 2.5677 2.5677 6.4904 6.4904 7.7656 7.7656 8.8059 8.8059 10.6921 10.6921 11.2543 11.2543 11.8640 11.8640 18.0885 18.0885 19.2307 19.2307 k = 0.0217 0.0126-0.0000 ( 1099 PWs) bands (ev): -34.4465 -34.4465 2.5792 2.5792 6.4945 6.4945 7.7660 7.7660 8.8067 8.8067 10.6209 10.6209 11.2961 11.2961 11.8936 11.8936 18.0880 18.0880 19.2307 19.2307 k = 0.0290 0.0167-0.0000 ( 1099 PWs) bands (ev): -34.4463 -34.4463 2.5954 2.5954 6.5002 6.5002 7.7663 7.7663 8.8081 8.8081 10.5382 10.5382 11.3363 11.3363 11.9366 11.9366 18.0873 18.0873 19.2307 19.2307 k = 0.0362 0.0209-0.0000 ( 1099 PWs) bands (ev): -34.4460 -34.4460 2.6162 2.6162 6.5076 6.5076 7.7664 7.7664 8.8104 8.8104 10.4489 10.4489 11.3699 11.3699 11.9928 11.9928 18.0865 18.0865 19.2307 19.2307 k = 0.0435 0.0251-0.0000 ( 1095 PWs) bands (ev): -34.4457 -34.4457 2.6415 2.6415 6.5166 6.5166 7.7659 7.7659 8.8139 8.8139 10.3556 10.3556 11.3952 11.3952 12.0615 12.0615 18.0854 18.0854 19.2308 19.2308 k = 0.0507 0.0293-0.0000 ( 1095 PWs) bands (ev): -34.4453 -34.4453 2.6713 2.6713 6.5271 6.5271 7.7647 7.7647 8.8189 8.8189 10.2600 10.2600 11.4126 11.4126 12.1407 12.1407 18.0841 18.0841 19.2308 19.2308 k = 0.0580 0.0335-0.0000 ( 1091 PWs) bands (ev): -34.4448 -34.4448 2.7056 2.7056 6.5393 6.5393 7.7625 7.7625 8.8260 8.8260 10.1630 10.1630 11.4233 11.4233 12.2282 12.2282 18.0826 18.0826 19.2308 19.2308 k = 0.0652 0.0377-0.0000 ( 1083 PWs) bands (ev): -34.4443 -34.4443 2.7442 2.7442 6.5529 6.5529 7.7589 7.7589 8.8355 8.8355 10.0653 10.0653 11.4286 11.4286 12.3223 12.3223 18.0808 18.0808 19.2309 19.2309 k = 0.0725 0.0418-0.0000 ( 1083 PWs) bands (ev): -34.4437 -34.4437 2.7871 2.7871 6.5681 6.5681 7.7536 7.7536 8.8479 8.8479 9.9673 9.9673 11.4295 11.4295 12.4213 12.4213 18.0788 18.0788 19.2309 19.2309 k = 0.0797 0.0460-0.0000 ( 1083 PWs) bands (ev): -34.4431 -34.4431 2.8342 2.8342 6.5847 6.5847 7.7464 7.7464 8.8636 8.8636 9.8694 9.8694 11.4271 11.4271 12.5242 12.5242 18.0766 18.0766 19.2309 19.2309 k = 0.0870 0.0502-0.0000 ( 1083 PWs) bands (ev): -34.4424 -34.4424 2.8854 2.8854 6.6026 6.6026 7.7372 7.7372 8.8829 8.8829 9.7718 9.7718 11.4220 11.4220 12.6300 12.6300 18.0741 18.0741 19.2308 19.2308 k = 0.0942 0.0544-0.0000 ( 1083 PWs) bands (ev): -34.4416 -34.4416 2.9405 2.9405 6.6219 6.6219 7.7258 7.7258 8.9061 8.9061 9.6749 9.6749 11.4146 11.4146 12.7380 12.7380 18.0712 18.0712 19.2308 19.2308 k = 0.1014 0.0586-0.0000 ( 1083 PWs) bands (ev): -34.4408 -34.4408 2.9995 2.9995 6.6424 6.6424 7.7124 7.7124 8.9333 8.9333 9.5790 9.5790 11.4054 11.4054 12.8480 12.8480 18.0681 18.0681 19.2308 19.2308 k = 0.1087 0.0628-0.0000 ( 1083 PWs) bands (ev): -34.4400 -34.4400 3.0622 3.0622 6.6640 6.6640 7.6969 7.6969 8.9644 8.9644 9.4844 9.4844 11.3946 11.3946 12.9594 12.9594 18.0646 18.0646 19.2308 19.2308 k = 0.1159 0.0669-0.0000 ( 1079 PWs) bands (ev): -34.4391 -34.4391 3.1285 3.1285 6.6865 6.6865 7.6798 7.6798 8.9989 8.9989 9.3920 9.3920 11.3825 11.3825 13.0721 13.0721 18.0608 18.0608 19.2308 19.2308 k = 0.1232 0.0711-0.0000 ( 1078 PWs) bands (ev): -34.4382 -34.4382 3.1981 3.1981 6.7098 6.7098 7.6612 7.6612 9.0348 9.0348 9.3038 9.3038 11.3693 11.3693 13.1858 13.1858 18.0565 18.0565 19.2308 19.2308 k = 0.1304 0.0753-0.0000 ( 1082 PWs) bands (ev): -34.4372 -34.4372 3.2708 3.2708 6.7335 6.7335 7.6418 7.6418 9.0641 9.0641 9.2279 9.2279 11.3550 11.3550 13.3003 13.3003 18.0519 18.0519 19.2307 19.2307 k = 0.1377 0.0795-0.0000 ( 1082 PWs) bands (ev): -34.4361 -34.4361 3.3464 3.3464 6.7576 6.7576 7.6222 7.6222 9.0533 9.0533 9.1978 9.1978 11.3399 11.3399 13.4156 13.4156 18.0467 18.0467 19.2307 19.2307 k = 0.1449 0.0837-0.0000 ( 1078 PWs) bands (ev): -34.4351 -34.4351 3.4247 3.4247 6.7814 6.7814 7.6029 7.6029 8.9885 8.9885 9.2275 9.2275 11.3241 11.3241 13.5316 13.5316 18.0410 18.0410 19.2307 19.2307 k = 0.1522 0.0879-0.0000 ( 1080 PWs) bands (ev): -34.4340 -34.4340 3.5053 3.5053 6.8048 6.8048 7.5848 7.5848 8.9076 8.9076 9.2791 9.2791 11.3076 11.3076 13.6480 13.6480 18.0348 18.0348 19.2307 19.2307 k = 0.1594 0.0920-0.0000 ( 1080 PWs) bands (ev): -34.4328 -34.4328 3.5880 3.5880 6.8270 6.8270 7.5688 7.5688 8.8239 8.8239 9.3393 9.3393 11.2907 11.2907 13.7650 13.7650 18.0279 18.0279 19.2306 19.2306 k = 0.1667 0.0962-0.0000 ( 1084 PWs) bands (ev): -34.4316 -34.4316 3.6723 3.6723 6.8477 6.8477 7.5559 7.5559 8.7405 8.7405 9.4049 9.4049 11.2734 11.2734 13.8823 13.8823 18.0203 18.0203 19.2305 19.2305 k = 0.1739 0.1004-0.0000 ( 1084 PWs) bands (ev): -34.4304 -34.4304 3.7578 3.7578 6.8661 6.8661 7.5468 7.5468 8.6584 8.6584 9.4749 9.4749 11.2558 11.2558 13.9999 13.9999 18.0119 18.0119 19.2305 19.2305 k = 0.1812 0.1046-0.0000 ( 1088 PWs) bands (ev): -34.4292 -34.4292 3.8442 3.8442 6.8818 6.8818 7.5425 7.5425 8.5785 8.5785 9.5488 9.5488 11.2380 11.2380 14.1179 14.1179 18.0027 18.0027 19.2304 19.2304 k = 0.1884 0.1088-0.0000 ( 1084 PWs) bands (ev): -34.4279 -34.4279 3.9309 3.9309 6.8944 6.8944 7.5435 7.5435 8.5012 8.5012 9.6260 9.6260 11.2202 11.2202 14.2361 14.2361 17.9925 17.9925 19.2304 19.2304 k = 0.1957 0.1130-0.0000 ( 1080 PWs) bands (ev): -34.4266 -34.4266 4.0174 4.0174 6.9040 6.9040 7.5500 7.5500 8.4274 8.4274 9.7064 9.7064 11.2026 11.2026 14.3544 14.3544 17.9813 17.9813 19.2304 19.2304 k = 0.2029 0.1171-0.0000 ( 1080 PWs) bands (ev): -34.4253 -34.4253 4.1030 4.1030 6.9107 6.9107 7.5613 7.5613 8.3579 8.3579 9.7895 9.7895 11.1853 11.1853 14.4729 14.4729 17.9690 17.9690 19.2303 19.2303 k = 0.2101 0.1213-0.0000 ( 1080 PWs) bands (ev): -34.4240 -34.4240 4.1870 4.1870 6.9152 6.9152 7.5763 7.5763 8.2943 8.2943 9.8749 9.8749 11.1685 11.1685 14.5915 14.5915 17.9553 17.9553 19.2302 19.2302 k = 0.2174 0.1255-0.0000 ( 1080 PWs) bands (ev): -34.4227 -34.4227 4.2689 4.2689 6.9184 6.9184 7.5929 7.5929 8.2385 8.2385 9.9623 9.9623 11.1525 11.1525 14.7101 14.7101 17.9403 17.9403 19.2302 19.2302 k = 0.2246 0.1297-0.0000 ( 1080 PWs) bands (ev): -34.4213 -34.4213 4.3478 4.3478 6.9213 6.9213 7.6076 7.6076 8.1936 8.1936 10.0512 10.0512 11.1378 11.1378 14.8287 14.8287 17.9237 17.9237 19.2301 19.2301 k = 0.2319 0.1339-0.0000 ( 1080 PWs) bands (ev): -34.4199 -34.4199 4.4230 4.4230 6.9251 6.9251 7.6164 7.6164 8.1636 8.1636 10.1409 10.1409 11.1248 11.1248 14.9472 14.9472 17.9054 17.9054 19.2300 19.2300 k = 0.2391 0.1381-0.0000 ( 1076 PWs) bands (ev): -34.4186 -34.4186 4.4938 4.4938 6.9307 6.9307 7.6149 7.6149 8.1524 8.1524 10.2306 10.2306 11.1142 11.1142 15.0656 15.0656 17.8853 17.8853 19.2299 19.2299 k = 0.2464 0.1422-0.0000 ( 1076 PWs) bands (ev): -34.4172 -34.4172 4.5593 4.5593 6.9390 6.9390 7.6007 7.6007 8.1624 8.1624 10.3191 10.3191 11.1071 11.1071 15.1838 15.1838 17.8631 17.8631 19.2298 19.2298 k = 0.2536 0.1464-0.0000 ( 1078 PWs) bands (ev): -34.4158 -34.4158 4.6189 4.6189 6.9506 6.9506 7.5746 7.5746 8.1928 8.1928 10.4046 10.4046 11.1051 11.1051 15.3018 15.3018 17.8386 17.8386 19.2297 19.2297 k = 0.2609 0.1506-0.0000 ( 1084 PWs) bands (ev): -34.4144 -34.4144 4.6722 4.6722 6.9656 6.9656 7.5397 7.5397 8.2407 8.2407 10.4849 10.4849 11.1104 11.1104 15.4194 15.4194 17.8118 17.8118 19.2295 19.2295 k = 0.2681 0.1548-0.0000 ( 1088 PWs) bands (ev): -34.4130 -34.4130 4.7187 4.7187 6.9841 6.9841 7.4997 7.4997 8.3028 8.3028 10.5566 10.5566 11.1261 11.1261 15.5367 15.5367 17.7824 17.7824 19.2293 19.2293 k = 0.2754 0.1590-0.0000 ( 1084 PWs) bands (ev): -34.4117 -34.4117 4.7581 4.7581 7.0052 7.0052 7.4583 7.4583 8.3764 8.3764 10.6162 10.6162 11.1556 11.1556 15.6534 15.6534 17.7503 17.7503 19.2292 19.2292 k = 0.2826 0.1632-0.0000 ( 1084 PWs) bands (ev): -34.4103 -34.4103 4.7905 4.7905 7.0271 7.0271 7.4190 7.4190 8.4596 8.4596 10.6610 10.6610 11.2014 11.2014 15.7695 15.7695 17.7152 17.7152 19.2290 19.2290 k = 0.2899 0.1673-0.0000 ( 1080 PWs) bands (ev): -34.4090 -34.4090 4.8160 4.8160 7.0467 7.0467 7.3859 7.3859 8.5510 8.5510 10.6908 10.6908 11.2637 11.2637 15.8850 15.8850 17.6770 17.6770 19.2289 19.2289 k = 0.2971 0.1715-0.0000 ( 1080 PWs) bands (ev): -34.4076 -34.4076 4.8350 4.8350 7.0588 7.0588 7.3645 7.3645 8.6497 8.6497 10.7077 10.7077 11.3399 11.3399 15.9996 15.9996 17.6356 17.6356 19.2287 19.2287 k = 0.3043 0.1757-0.0000 ( 1082 PWs) bands (ev): -34.4063 -34.4063 4.8478 4.8478 7.0581 7.0581 7.3603 7.3603 8.7551 8.7551 10.7151 10.7151 11.4267 11.4267 16.1131 16.1131 17.5909 17.5909 19.2285 19.2285 k = 0.3116 0.1799-0.0000 ( 1082 PWs) bands (ev): -34.4050 -34.4050 4.8551 4.8551 7.0425 7.0425 7.3751 7.3751 8.8664 8.8664 10.7158 10.7158 11.5209 11.5209 16.2256 16.2256 17.5429 17.5429 19.2283 19.2283 k = 0.3188 0.1841-0.0000 ( 1082 PWs) bands (ev): -34.4038 -34.4038 4.8575 4.8575 7.0150 7.0150 7.4054 7.4054 8.9832 8.9832 10.7122 10.7122 11.6200 11.6200 16.3366 16.3366 17.4918 17.4918 19.2281 19.2281 k = 0.3261 0.1883-0.0000 ( 1076 PWs) bands (ev): -34.4025 -34.4025 4.8555 4.8555 6.9803 6.9803 7.4463 7.4463 9.1049 9.1049 10.7057 10.7057 11.7223 11.7223 16.4459 16.4459 17.4375 17.4375 19.2279 19.2279 k = 0.3333 0.1925-0.0000 ( 1076 PWs) bands (ev): -34.4013 -34.4013 4.8499 4.8499 6.9420 6.9420 7.4936 7.4936 9.2309 9.2309 10.6975 10.6975 11.8263 11.8263 16.5531 16.5531 17.3806 17.3806 19.2277 19.2277 k = 0.3406 0.1966-0.0000 ( 1072 PWs) bands (ev): -34.4001 -34.4001 4.8413 4.8413 6.9020 6.9020 7.5448 7.5448 9.3607 9.3607 10.6883 10.6883 11.9312 11.9312 16.6575 16.6575 17.3218 17.3218 19.2274 19.2274 k = 0.3478 0.2008-0.0000 ( 1072 PWs) bands (ev): -34.3990 -34.3990 4.8301 4.8301 6.8618 6.8618 7.5981 7.5981 9.4936 9.4936 10.6787 10.6787 12.0361 12.0361 16.7578 16.7578 17.2623 17.2623 19.2272 19.2272 k = 0.3551 0.2050-0.0000 ( 1072 PWs) bands (ev): -34.3979 -34.3979 4.8169 4.8169 6.8220 6.8220 7.6525 7.6525 9.6288 9.6288 10.6690 10.6690 12.1404 12.1404 16.8506 16.8506 17.2056 17.2056 19.2269 19.2269 k = 0.3623 0.2092-0.0000 ( 1072 PWs) bands (ev): -34.3968 -34.3968 4.8023 4.8023 6.7832 6.7832 7.7070 7.7070 9.7656 9.7656 10.6599 10.6599 12.2434 12.2434 16.9253 16.9253 17.1627 17.1627 19.2267 19.2267 k = 0.3696 0.2134-0.0000 ( 1072 PWs) bands (ev): -34.3958 -34.3958 4.7865 4.7865 6.7457 6.7457 7.7612 7.7612 9.9028 9.9028 10.6516 10.6516 12.3446 12.3446 16.9513 16.9513 17.1640 17.1640 19.2264 19.2264 k = 0.3768 0.2176-0.0000 ( 1074 PWs) bands (ev): -34.3948 -34.3948 4.7700 4.7700 6.7096 6.7096 7.8144 7.8144 10.0392 10.0392 10.6451 10.6451 12.4435 12.4435 16.9182 16.9182 17.2205 17.2205 19.2262 19.2262 k = 0.3841 0.2217-0.0000 ( 1080 PWs) bands (ev): -34.3939 -34.3939 4.7531 4.7531 6.6752 6.6752 7.8664 7.8664 10.1727 10.1727 10.6416 10.6416 12.5395 12.5395 16.8598 16.8598 17.2984 17.2984 19.2259 19.2259 k = 0.3913 0.2259-0.0000 ( 1080 PWs) bands (ev): -34.3930 -34.3930 4.7361 4.7361 6.6425 6.6425 7.9166 7.9166 10.2995 10.2995 10.6443 10.6443 12.6322 12.6322 16.7936 16.7936 17.3806 17.3806 19.2257 19.2257 k = 0.3986 0.2301-0.0000 ( 1076 PWs) bands (ev): -34.3921 -34.3921 4.7193 4.7193 6.6118 6.6118 7.9650 7.9650 10.4101 10.4101 10.6619 10.6619 12.7210 12.7210 16.7250 16.7250 17.4620 17.4620 19.2255 19.2255 k = 0.4058 0.2343-0.0000 ( 1080 PWs) bands (ev): -34.3913 -34.3913 4.7028 4.7028 6.5829 6.5829 8.0111 8.0111 10.4860 10.4860 10.7119 10.7119 12.8056 12.8056 16.6561 16.6561 17.5406 17.5406 19.2253 19.2253 k = 0.4130 0.2385-0.0000 ( 1078 PWs) bands (ev): -34.3906 -34.3906 4.6869 4.6869 6.5560 6.5560 8.0547 8.0547 10.5201 10.5201 10.8007 10.8007 12.8855 12.8855 16.5882 16.5882 17.6155 17.6155 19.2251 19.2251 k = 0.4203 0.2427-0.0000 ( 1074 PWs) bands (ev): -34.3899 -34.3899 4.6717 4.6717 6.5311 6.5311 8.0958 8.0958 10.5313 10.5313 10.9085 10.9085 12.9602 12.9602 16.5223 16.5223 17.6860 17.6860 19.2250 19.2250 k = 0.4275 0.2468-0.0000 ( 1070 PWs) bands (ev): -34.3892 -34.3892 4.6574 4.6574 6.5083 6.5083 8.1339 8.1339 10.5337 10.5337 11.0200 11.0200 13.0293 13.0293 16.4593 16.4593 17.7516 17.7516 19.2249 19.2249 k = 0.4348 0.2510-0.0000 ( 1070 PWs) bands (ev): -34.3887 -34.3887 4.6442 4.6442 6.4876 6.4876 8.1690 8.1690 10.5327 10.5327 11.1288 11.1288 13.0924 13.0924 16.3997 16.3997 17.8118 17.8118 19.2248 19.2248 k = 0.4420 0.2552-0.0000 ( 1066 PWs) bands (ev): -34.3881 -34.3881 4.6321 4.6321 6.4690 6.4690 8.2009 8.2009 10.5304 10.5304 11.2318 11.2318 13.1494 13.1494 16.3444 16.3444 17.8664 17.8664 19.2248 19.2248 k = 0.4493 0.2594-0.0000 ( 1066 PWs) bands (ev): -34.3877 -34.3877 4.6211 4.6211 6.4525 6.4525 8.2295 8.2295 10.5277 10.5277 11.3270 11.3270 13.1998 13.1998 16.2939 16.2939 17.9150 17.9150 19.2247 19.2247 k = 0.4565 0.2636-0.0000 ( 1066 PWs) bands (ev): -34.3873 -34.3873 4.6115 4.6115 6.4382 6.4382 8.2545 8.2545 10.5250 10.5250 11.4129 11.4129 13.2436 13.2436 16.2488 16.2488 17.9575 17.9575 19.2247 19.2247 k = 0.4638 0.2678-0.0000 ( 1066 PWs) bands (ev): -34.3869 -34.3869 4.6033 4.6033 6.4261 6.4261 8.2759 8.2759 10.5224 10.5224 11.4881 11.4881 13.2806 13.2806 16.2096 16.2096 17.9937 17.9937 19.2247 19.2247 k = 0.4710 0.2719-0.0000 ( 1074 PWs) bands (ev): -34.3866 -34.3866 4.5965 4.5965 6.4162 6.4162 8.2936 8.2936 10.5202 10.5202 11.5515 11.5515 13.3107 13.3107 16.1768 16.1768 18.0234 18.0234 19.2246 19.2246 k = 0.4783 0.2761-0.0000 ( 1076 PWs) bands (ev): -34.3864 -34.3864 4.5911 4.5911 6.4084 6.4084 8.3074 8.3074 10.5185 10.5185 11.6020 11.6020 13.3341 13.3341 16.1509 16.1509 18.0466 18.0466 19.2245 19.2245 k = 0.4855 0.2803-0.0000 ( 1076 PWs) bands (ev): -34.3863 -34.3863 4.5873 4.5873 6.4029 6.4029 8.3173 8.3173 10.5172 10.5172 11.6387 11.6387 13.3507 13.3507 16.1322 16.1322 18.0631 18.0631 19.2245 19.2245 k = 0.4928 0.2845-0.0000 ( 1072 PWs) bands (ev): -34.3862 -34.3862 4.5850 4.5850 6.3996 6.3996 8.3233 8.3233 10.5165 10.5165 11.6610 11.6610 13.3607 13.3607 16.1208 16.1208 18.0731 18.0731 19.2245 19.2245 k = 0.5000 0.2887-0.0000 ( 1072 PWs) bands (ev): -34.3861 -34.3861 4.5842 4.5842 6.3985 6.3985 8.3253 8.3253 10.5162 10.5162 11.6685 11.6685 13.3640 13.3640 16.1170 16.1170 18.0764 18.0764 19.2245 19.2245 k = 0.5000 0.2887-0.0000 ( 1072 PWs) bands (ev): -34.3861 -34.3861 4.5842 4.5842 6.3985 6.3985 8.3253 8.3253 10.5162 10.5162 11.6685 11.6685 13.3640 13.3640 16.1170 16.1170 18.0764 18.0764 19.2245 19.2245 k = 0.4958 0.2959-0.0000 ( 1076 PWs) bands (ev): -34.3861 -34.3861 4.5868 4.5870 6.3989 6.3998 8.3254 8.3263 10.5088 10.5163 11.6495 11.6684 13.3562 13.3874 16.1054 16.1310 18.0800 18.0810 19.2245 19.2245 k = 0.4917 0.3031-0.0000 ( 1076 PWs) bands (ev): -34.3861 -34.3861 4.5949 4.5952 6.4011 6.4030 8.3266 8.3283 10.4942 10.5092 11.6128 11.6493 13.3641 13.4251 16.0963 16.1474 18.0918 18.0935 19.2244 19.2246 k = 0.4875 0.3103-0.0000 ( 1076 PWs) bands (ev): -34.3861 -34.3860 4.6085 4.6088 6.4052 6.4079 8.3289 8.3315 10.4725 10.4949 11.5604 11.6122 13.3866 13.4750 16.0897 16.1662 18.1118 18.1139 19.2244 19.2246 k = 0.4833 0.3175-0.0000 ( 1076 PWs) bands (ev): -34.3860 -34.3860 4.6274 4.6278 6.4109 6.4146 8.3322 8.3357 10.4439 10.4736 11.4947 11.5589 13.4217 13.5348 16.0854 16.1873 18.1399 18.1416 19.2243 19.2246 k = 0.4792 0.3248-0.0000 ( 1084 PWs) bands (ev): -34.3859 -34.3859 4.6516 4.6522 6.4185 6.4231 8.3365 8.3409 10.4086 10.4455 11.4179 11.4920 13.4670 13.6021 16.0836 16.2105 18.1758 18.1763 19.2242 19.2246 k = 0.4750 0.3320-0.0000 ( 1084 PWs) bands (ev): -34.3858 -34.3858 4.6812 4.6819 6.4278 6.4334 8.3419 8.3472 10.3670 10.4109 11.3323 11.4139 13.5201 13.6745 16.0841 16.2358 18.2173 18.2193 19.2242 19.2246 k = 0.4708 0.3392-0.0000 ( 1084 PWs) bands (ev): -34.3857 -34.3856 4.7161 4.7169 6.4389 6.4455 8.3482 8.3544 10.3194 10.3701 11.2397 11.3267 13.5787 13.7502 16.0869 16.2628 18.2640 18.2701 19.2241 19.2246 k = 0.4667 0.3464-0.0000 ( 1088 PWs) bands (ev): -34.3855 -34.3855 4.7561 4.7571 6.4517 6.4593 8.3553 8.3626 10.2662 10.3234 11.1416 11.2325 13.6409 13.8276 16.0919 16.2915 18.3154 18.3277 19.2241 19.2246 k = 0.4625 0.3536-0.0000 ( 1088 PWs) bands (ev): -34.3854 -34.3853 4.8013 4.8023 6.4663 6.4750 8.3634 8.3716 10.2077 10.2713 11.0393 11.1328 13.7050 13.9053 16.0989 16.3213 18.3705 18.3917 19.2241 19.2246 k = 0.4583 0.3608-0.0000 ( 1090 PWs) bands (ev): -34.3852 -34.3851 4.8515 4.8527 6.4825 6.4924 8.3722 8.3815 10.1444 10.2142 10.9337 11.0289 13.7698 13.9823 16.1077 16.3519 18.4282 18.4616 19.2241 19.2246 k = 0.4542 0.3681-0.0000 ( 1088 PWs) bands (ev): -34.3850 -34.3849 4.9066 4.9079 6.5005 6.5115 8.3816 8.3921 10.0768 10.1525 10.8257 10.9219 13.8344 14.0576 16.1182 16.3828 18.4867 18.5368 19.2243 19.2247 k = 0.4500 0.3753-0.0000 ( 1086 PWs) bands (ev): -34.3848 -34.3847 4.9666 4.9680 6.5201 6.5324 8.3917 8.4034 10.0053 10.0868 10.7160 10.8127 13.8979 14.1306 16.1299 16.4134 18.5444 18.6167 19.2245 19.2247 k = 0.4458 0.3825-0.0000 ( 1082 PWs) bands (ev): -34.3846 -34.3845 5.0312 5.0327 6.5414 6.5550 8.4023 8.4152 9.9303 10.0174 10.6052 10.7020 13.9598 14.2006 16.1425 16.4429 18.5989 18.7007 19.2249 19.2249 k = 0.4417 0.3897-0.0000 ( 1082 PWs) bands (ev): -34.3843 -34.3843 5.1004 5.1020 6.5643 6.5794 8.4131 8.4275 9.8523 9.9449 10.4937 10.5903 14.0196 14.2674 16.1556 16.4706 18.6479 18.7878 19.2250 19.2253 k = 0.4375 0.3969-0.0000 ( 1086 PWs) bands (ev): -34.3841 -34.3840 5.1740 5.1757 6.5889 6.6054 8.4242 8.4400 9.7718 9.8698 10.3821 10.4782 14.0772 14.3305 16.1686 16.4955 18.6889 18.8769 19.2251 19.2259 k = 0.4333 0.4041-0.0000 ( 1086 PWs) bands (ev): -34.3838 -34.3837 5.2518 5.2536 6.6150 6.6332 8.4352 8.4527 9.6892 9.7927 10.2706 10.3662 14.1323 14.3898 16.1810 16.5167 18.7200 18.9666 19.2255 19.2265 k = 0.4292 0.4114-0.0000 ( 1084 PWs) bands (ev): -34.3835 -34.3835 5.3336 5.3356 6.6427 6.6626 8.4459 8.4653 9.6050 9.7139 10.1596 10.2545 14.1848 14.4452 16.1920 16.5331 18.7407 19.0543 19.2262 19.2270 k = 0.4250 0.4186-0.0000 ( 1084 PWs) bands (ev): -34.3833 -34.3832 5.4193 5.4213 6.6720 6.6937 8.4560 8.4775 9.5197 9.6343 10.0494 10.1436 14.2348 14.4967 16.2011 16.5440 18.7515 19.1359 19.2275 19.2283 k = 0.4208 0.4258-0.0000 ( 1080 PWs) bands (ev): -34.3830 -34.3829 5.5085 5.5107 6.7027 6.7265 8.4652 8.4890 9.4337 9.5542 9.9403 10.0339 14.2822 14.5443 16.2074 16.5482 18.7546 19.1985 19.2277 19.2388 k = 0.4167 0.4330-0.0000 ( 1080 PWs) bands (ev): -34.3827 -34.3826 5.6012 5.6033 6.7348 6.7610 8.4728 8.4993 9.3476 9.4745 9.8326 9.9257 14.3271 14.5883 16.2104 16.5450 18.7526 19.2169 19.2278 19.2753 k = 0.4125 0.4402-0.0000 ( 1076 PWs) bands (ev): -34.3824 -34.3823 5.6969 5.6990 6.7684 6.7971 8.4785 8.5080 9.2621 9.3960 9.7266 9.8193 14.3697 14.6288 16.2094 16.5339 18.7482 19.2197 19.2278 19.3027 k = 0.4083 0.4474-0.0000 ( 1074 PWs) bands (ev): -34.3821 -34.3820 5.7954 5.7975 6.8033 6.8348 8.4812 8.5141 9.1778 9.3194 9.6226 9.7154 14.4101 14.6660 16.2040 16.5146 18.7436 19.2203 19.2277 19.3085 k = 0.4042 0.4547-0.0000 ( 1082 PWs) bands (ev): -34.3818 -34.3817 5.8964 5.8984 6.8394 6.8741 8.4800 8.5166 9.0956 9.2459 9.5210 9.6143 14.4483 14.7001 16.1936 16.4870 18.7406 19.2202 19.2275 19.2992 k = 0.4000 0.4619-0.0000 ( 1078 PWs) bands (ev): -34.3815 -34.3814 5.9994 6.0012 6.8768 6.9150 8.4738 8.5140 9.0167 9.1765 9.4223 9.5169 14.4847 14.7315 16.1781 16.4514 18.7401 19.2195 19.2274 19.2826 k = 0.3958 0.4691-0.0000 ( 1078 PWs) bands (ev): -34.3813 -34.3812 6.1043 6.1057 6.9154 6.9576 8.4610 8.5043 8.9424 9.1122 9.3273 9.4239 14.5194 14.7603 16.1574 16.4085 18.7428 19.2181 19.2273 19.2644 k = 0.3917 0.4763-0.0000 ( 1078 PWs) bands (ev): -34.3810 -34.3809 6.2103 6.2114 6.9549 7.0017 8.4404 8.4852 8.8741 9.0531 9.2375 9.3367 14.5524 14.7870 16.1316 16.3590 18.7486 19.2150 19.2271 19.2485 k = 0.3875 0.4835-0.0000 ( 1078 PWs) bands (ev): -34.3807 -34.3806 6.3173 6.3176 6.9954 7.0475 8.4108 8.4548 8.8124 8.9981 9.1555 9.2570 14.5840 14.8116 16.1011 16.3040 18.7574 19.2092 19.2270 19.2378 k = 0.3833 0.4907-0.0000 ( 1076 PWs) bands (ev): -34.3805 -34.3803 6.4239 6.4244 7.0367 7.0949 8.3722 8.4123 8.7563 8.9428 9.0864 9.1866 14.6143 14.8345 16.0664 16.2447 18.7687 19.2014 19.2269 19.2323 k = 0.3792 0.4980-0.0000 ( 1078 PWs) bands (ev): -34.3802 -34.3801 6.5296 6.5313 7.0786 7.1439 8.3252 8.3593 8.7027 8.8817 9.0353 9.1275 14.6433 14.8558 16.0281 16.1822 18.7820 19.1941 19.2268 19.2297 k = 0.3750 0.5052-0.0000 ( 1078 PWs) bands (ev): -34.3800 -34.3799 6.6339 6.6373 7.1209 7.1945 8.2710 8.2984 8.6479 8.8139 9.0022 9.0811 14.6713 14.8758 15.9871 16.1178 18.7968 19.1889 19.2268 19.2284 k = 0.3708 0.5124-0.0000 ( 1078 PWs) bands (ev): -34.3797 -34.3796 6.7361 6.7416 7.1633 7.2467 8.2115 8.2326 8.5896 8.7433 8.9822 9.0471 14.6981 14.8946 15.9442 16.0530 18.8123 19.1864 19.2267 19.2277 k = 0.3667 0.5196-0.0000 ( 1078 PWs) bands (ev): -34.3795 -34.3794 6.8351 6.8433 7.2055 7.3002 8.1485 8.1645 8.5276 8.6735 8.9706 9.0238 14.7237 14.9123 15.9006 15.9888 18.8281 19.1862 19.2267 19.2273 k = 0.3625 0.5268-0.0000 ( 1078 PWs) bands (ev): -34.3793 -34.3792 6.9300 6.9415 7.2469 7.3547 8.0836 8.0962 8.4631 8.6069 8.9641 9.0088 14.7481 14.9289 15.8572 15.9268 18.8436 19.1882 19.2266 19.2270 k = 0.3583 0.5340-0.0000 ( 1074 PWs) bands (ev): -34.3792 -34.3791 7.0197 7.0352 7.2870 7.4095 8.0182 8.0295 8.3979 8.5452 8.9610 8.9996 14.7709 14.9444 15.8153 15.8683 18.8583 19.1918 19.2266 19.2268 k = 0.3542 0.5413-0.0000 ( 1074 PWs) bands (ev): -34.3790 -34.3789 7.1029 7.1228 7.3248 7.4630 7.9540 7.9664 8.3340 8.4899 8.9598 8.9945 14.7919 14.9585 15.7761 15.8148 18.8718 19.1964 19.2266 19.2267 k = 0.3500 0.5485-0.0000 ( 1074 PWs) bands (ev): -34.3789 -34.3788 7.1784 7.2026 7.3591 7.5123 7.8927 7.9099 8.2736 8.4424 8.9597 8.9918 14.8105 14.9712 15.7411 15.7677 18.8836 19.2015 19.2266 19.2266 k = 0.3458 0.5557-0.0000 ( 1074 PWs) bands (ev): -34.3788 -34.3787 7.2444 7.2723 7.3886 7.5527 7.8368 7.8642 8.2193 8.4040 8.9601 8.9906 14.8260 14.9819 15.7115 15.7287 18.8935 19.2065 19.2266 19.2266 k = 0.3417 0.5629-0.0000 ( 1078 PWs) bands (ev): -34.3787 -34.3786 7.2979 7.3284 7.4112 7.5782 7.7900 7.8346 8.1749 8.3760 8.9605 8.9902 14.8377 14.9901 15.6887 15.6993 18.9009 19.2109 19.2265 19.2265 k = 0.3375 0.5701-0.0000 ( 1082 PWs) bands (ev): -34.3787 -34.3786 7.3341 7.3659 7.4250 7.5872 7.7582 7.8223 8.1452 8.3593 8.9609 8.9901 14.8451 14.9953 15.6743 15.6808 18.9056 19.2139 19.2265 19.2265 k = 0.3333 0.5774-0.0000 ( 1086 PWs) bands (ev): -34.3787 -34.3786 7.3470 7.3794 7.4292 7.5881 7.7471 7.8202 8.1348 8.3539 8.9610 8.9901 14.8476 14.9972 15.6692 15.6745 18.9073 19.2151 19.2264 19.2264 k = 0.3333 0.5774-0.0000 ( 1086 PWs) bands (ev): -34.3787 -34.3786 7.3470 7.3794 7.4292 7.5881 7.7471 7.8202 8.1348 8.3539 8.9610 8.9901 14.8476 14.9972 15.6692 15.6745 18.9073 19.2151 19.2264 19.2264 k = 0.3292 0.5701-0.0000 ( 1084 PWs) bands (ev): -34.3787 -34.3786 7.3350 7.3666 7.4257 7.5876 7.7570 7.8217 8.1443 8.3588 8.9609 8.9901 14.8451 14.9953 15.6745 15.6809 18.9055 19.2137 19.2265 19.2265 k = 0.3250 0.5629-0.0000 ( 1080 PWs) bands (ev): -34.3787 -34.3786 7.3042 7.3344 7.4154 7.5817 7.7819 7.8293 8.1689 8.3721 8.9609 8.9902 14.8380 14.9897 15.6906 15.7003 18.9000 19.2092 19.2265 19.2265 k = 0.3208 0.5557-0.0000 ( 1080 PWs) bands (ev): -34.3788 -34.3787 7.2628 7.2917 7.3982 7.5646 7.8143 7.8468 8.2013 8.3912 8.9613 8.9906 14.8269 14.9808 15.7175 15.7321 18.8904 19.2008 19.2265 19.2266 k = 0.3167 0.5485-0.0000 ( 1080 PWs) bands (ev): -34.3789 -34.3788 7.2162 7.2439 7.3756 7.5365 7.8491 7.8734 8.2359 8.4135 8.9626 8.9918 14.8127 14.9688 15.7552 15.7758 18.8765 19.1881 19.2265 19.2266 k = 0.3125 0.5413-0.0000 ( 1076 PWs) bands (ev): -34.3791 -34.3790 7.1675 7.1942 7.3489 7.5014 7.8833 7.9050 8.2692 8.4366 8.9654 8.9941 14.7960 14.9542 15.8031 15.8306 18.8579 19.1705 19.2266 19.2267 k = 0.3083 0.5340-0.0000 ( 1076 PWs) bands (ev): -34.3793 -34.3792 7.1184 7.1443 7.3196 7.4627 7.9147 7.9376 8.2990 8.4585 8.9704 8.9982 14.7776 14.9375 15.8608 15.8957 18.8345 19.1474 19.2266 19.2268 k = 0.3042 0.5268-0.0000 ( 1076 PWs) bands (ev): -34.3795 -34.3794 7.0700 7.0951 7.2889 7.4228 7.9416 7.9681 8.3243 8.4779 8.9784 9.0047 14.7578 14.9188 15.9277 15.9704 18.8060 19.1185 19.2266 19.2269 k = 0.3000 0.5196-0.0000 ( 1074 PWs) bands (ev): -34.3798 -34.3797 7.0228 7.0471 7.2578 7.3830 7.9625 7.9941 8.3451 8.4942 8.9899 9.0140 14.7368 14.8982 16.0034 16.0540 18.7724 19.0836 19.2267 19.2270 k = 0.2958 0.5124-0.0000 ( 1074 PWs) bands (ev): -34.3801 -34.3800 6.9773 7.0009 7.2268 7.3442 7.9761 8.0131 8.3620 8.5072 9.0054 9.0266 14.7145 14.8754 16.0874 16.1460 18.7338 19.0426 19.2267 19.2271 k = 0.2917 0.5052-0.0000 ( 1070 PWs) bands (ev): -34.3804 -34.3803 6.9336 6.9565 7.1967 7.3071 7.9812 8.0231 8.3760 8.5171 9.0251 9.0428 14.6907 14.8503 16.1792 16.2458 18.6904 18.9958 19.2268 19.2272 k = 0.2875 0.4980-0.0000 ( 1074 PWs) bands (ev): -34.3808 -34.3807 6.8919 6.9143 7.1677 7.2719 7.9769 8.0227 8.3881 8.5244 9.0490 9.0629 14.6648 14.8222 16.2783 16.3528 18.6426 18.9435 19.2269 19.2272 k = 0.2833 0.4907-0.0000 ( 1078 PWs) bands (ev): -34.3813 -34.3811 6.8524 6.8744 7.1402 7.2389 7.9628 8.0109 8.3989 8.5294 9.0771 9.0870 14.6363 14.7907 16.3842 16.4667 18.5909 18.8865 19.2269 19.2273 k = 0.2792 0.4835-0.0000 ( 1074 PWs) bands (ev): -34.3817 -34.3816 6.8153 6.8369 7.1144 7.2083 7.9390 7.9879 8.4083 8.5321 9.1093 9.1150 14.6045 14.7551 16.4963 16.5868 18.5360 18.8258 19.2270 19.2274 k = 0.2750 0.4763-0.0000 ( 1074 PWs) bands (ev): -34.3822 -34.3821 6.7804 6.8018 7.0905 7.1802 7.9058 7.9544 8.4158 8.5323 9.1453 9.1470 14.5688 14.7148 16.6140 16.7124 18.4790 18.7625 19.2271 19.2275 k = 0.2708 0.4691-0.0000 ( 1074 PWs) bands (ev): -34.3828 -34.3827 6.7480 6.7692 7.0687 7.1547 7.8641 7.9116 8.4206 8.5299 9.1829 9.1851 14.5282 14.6690 16.7365 16.8429 18.4208 18.6980 19.2271 19.2276 k = 0.2667 0.4619-0.0000 ( 1078 PWs) bands (ev): -34.3834 -34.3833 6.7180 6.7391 7.0488 7.1317 7.8146 7.8606 8.4223 8.5245 9.2225 9.2282 14.4821 14.6170 16.8629 16.9775 18.3630 18.6338 19.2272 19.2276 k = 0.2625 0.4547-0.0000 ( 1082 PWs) bands (ev): -34.3840 -34.3839 6.6905 6.7117 7.0311 7.1113 7.7584 7.8026 8.4202 8.5160 9.2655 9.2743 14.4297 14.5583 16.9923 17.1149 18.3070 18.5718 19.2272 19.2276 k = 0.2583 0.4474-0.0000 ( 1078 PWs) bands (ev): -34.3847 -34.3846 6.6654 6.6869 7.0153 7.0935 7.6962 7.7386 8.4143 8.5043 9.3116 9.3232 14.3703 14.4921 17.1233 17.2536 18.2549 18.5137 19.2272 19.2277 k = 0.2542 0.4402-0.0000 ( 1074 PWs) bands (ev): -34.3855 -34.3854 6.6428 6.6647 7.0014 7.0780 7.6290 7.6695 8.4045 8.4894 9.3605 9.3743 14.3033 14.4181 17.2540 17.3909 18.2098 18.4616 19.2271 19.2275 k = 0.2500 0.4330-0.0000 ( 1074 PWs) bands (ev): -34.3862 -34.3861 6.6225 6.6451 6.9890 7.0647 7.5578 7.5963 8.3909 8.4714 9.4117 9.4275 14.2284 14.3359 17.3818 17.5220 18.1762 18.4179 19.1956 19.2264 k = 0.2458 0.4258-0.0000 ( 1072 PWs) bands (ev): -34.3870 -34.3870 6.6045 6.6282 6.9776 7.0532 7.4836 7.5200 8.3737 8.4505 9.4649 9.4823 14.1452 14.2454 17.5027 17.6378 18.1630 18.3853 19.0542 19.1840 k = 0.2417 0.4186-0.0000 ( 1070 PWs) bands (ev): -34.3879 -34.3878 6.5887 6.6139 6.9663 7.0428 7.4079 7.4420 8.3533 8.4269 9.5198 9.5385 14.0536 14.1465 17.6112 17.7230 18.1834 18.3659 18.9185 19.0378 k = 0.2375 0.4114-0.0000 ( 1070 PWs) bands (ev): -34.3888 -34.3887 6.5750 6.6022 6.9535 7.0321 7.3329 7.3641 8.3298 8.4007 9.5760 9.5956 13.9538 14.0395 17.7001 17.7661 18.2442 18.3567 18.8001 18.8989 k = 0.2333 0.4041-0.0000 ( 1072 PWs) bands (ev): -34.3897 -34.3896 6.5630 6.5932 6.9358 7.0184 7.2621 7.2898 8.3037 8.3723 9.6331 9.6536 13.8458 13.9245 17.7636 17.7739 18.3235 18.3378 18.7250 18.7851 k = 0.2292 0.3969-0.0000 ( 1072 PWs) bands (ev): -34.3907 -34.3906 6.5522 6.5866 6.9082 6.9960 7.2010 7.2254 8.2752 8.3419 9.6911 9.7121 13.7302 13.8022 17.7615 17.8010 18.2752 18.3598 18.7281 18.7429 k = 0.2250 0.3897-0.0000 ( 1072 PWs) bands (ev): -34.3917 -34.3916 6.5419 6.5825 6.8646 6.9574 7.1560 7.1797 8.2446 8.3098 9.7495 9.7709 13.6074 13.6730 17.7376 17.8161 18.1709 18.3035 18.8035 18.8128 k = 0.2208 0.3825-0.0000 ( 1070 PWs) bands (ev): -34.3927 -34.3927 6.5305 6.5807 6.8025 6.9006 7.1300 7.1562 8.2122 8.2761 9.8081 9.8298 13.4781 13.5377 17.7043 17.8109 18.0531 18.2013 18.9208 18.9461 k = 0.2167 0.3753-0.0000 ( 1070 PWs) bands (ev): -34.3938 -34.3938 6.5151 6.5804 6.7261 6.8342 7.1198 7.1495 8.1782 8.2412 9.8669 9.8888 13.3429 13.3969 17.6580 17.7733 17.9522 18.0957 19.0611 19.1026 k = 0.2125 0.3681-0.0000 ( 1070 PWs) bands (ev): -34.3949 -34.3949 6.4902 6.5770 6.6449 6.7702 7.1203 7.1532 8.1431 8.2054 9.9256 9.9475 13.2026 13.2514 17.5923 17.6806 17.8996 18.0057 19.2099 19.2232 k = 0.2083 0.3608-0.0000 ( 1070 PWs) bands (ev): -34.3961 -34.3960 6.4481 6.5279 6.6054 6.7201 7.1281 7.1633 8.1070 8.1689 9.9840 10.0059 13.0580 13.1020 17.5025 17.5524 17.8800 17.9402 19.2276 19.2282 k = 0.2042 0.3536-0.0000 ( 1074 PWs) bands (ev): -34.3973 -34.3972 6.3845 6.4343 6.6082 6.6903 7.1411 7.1781 8.0703 8.1319 10.0421 10.0638 12.9098 12.9494 17.3911 17.4126 17.8718 17.8981 19.2282 19.2287 k = 0.2000 0.3464-0.0000 ( 1078 PWs) bands (ev): -34.3985 -34.3984 6.3032 6.3332 6.6178 6.6780 7.1578 7.1962 8.0333 8.0950 10.0996 10.1211 12.7588 12.7943 17.2653 17.2689 17.8683 17.8730 19.2285 19.2289 k = 0.1958 0.3392-0.0000 ( 1076 PWs) bands (ev): -34.3997 -34.3997 6.2106 6.2288 6.6306 6.6775 7.1774 7.2171 7.9964 8.0584 10.1565 10.1777 12.6057 12.6376 17.1239 17.1312 17.8589 17.8676 19.2287 19.2291 k = 0.1917 0.3320-0.0000 ( 1076 PWs) bands (ev): -34.4010 -34.4009 6.1112 6.1224 6.6459 6.6845 7.1993 7.2400 7.9601 8.0225 10.2126 10.2335 12.4512 12.4798 16.9787 16.9927 17.8520 17.8690 19.2289 19.2292 k = 0.1875 0.3248-0.0000 ( 1076 PWs) bands (ev): -34.4022 -34.4022 6.0076 6.0144 6.6636 6.6967 7.2226 7.2643 7.9250 7.9881 10.2679 10.2883 12.2960 12.3217 16.8337 16.8519 17.8499 17.8720 19.2290 19.2293 k = 0.1833 0.3175-0.0000 ( 1076 PWs) bands (ev): -34.4036 -34.4035 5.9013 5.9052 6.6834 6.7129 7.2467 7.2891 7.8920 7.9557 10.3222 10.3421 12.1408 12.1639 16.6893 16.7101 17.8512 17.8763 19.2292 19.2294 k = 0.1792 0.3103-0.0000 ( 1077 PWs) bands (ev): -34.4049 -34.4048 5.7932 5.7952 6.7052 6.7324 7.2706 7.3135 7.8620 7.9263 10.3753 10.3946 11.9861 12.0070 16.5458 16.5680 17.8551 17.8816 19.2293 19.2295 k = 0.1750 0.3031-0.0000 ( 1077 PWs) bands (ev): -34.4062 -34.4062 5.6838 5.6845 6.7290 6.7546 7.2933 7.3359 7.8367 7.9010 10.4272 10.4457 11.8325 11.8515 16.4031 16.4262 17.8607 17.8879 19.2294 19.2296 k = 0.1708 0.2959-0.0000 ( 1073 PWs) bands (ev): -34.4076 -34.4075 5.5734 5.5736 6.7545 6.7792 7.3132 7.3544 7.8179 7.8813 10.4776 10.4951 11.6807 11.6982 16.2614 16.2849 17.8678 17.8949 19.2295 19.2297 k = 0.1667 0.2887-0.0000 ( 1073 PWs) bands (ev): -34.4089 -34.4089 5.4620 5.4628 6.7817 6.8061 7.3288 7.3668 7.8080 7.8689 10.5263 10.5425 11.5312 11.5478 16.1208 16.1444 17.8759 17.9024 19.2296 19.2298 k = 0.1625 0.2815-0.0000 ( 1077 PWs) bands (ev): -34.4103 -34.4103 5.3506 5.3517 6.8104 6.8349 7.3386 7.3711 7.8089 7.8654 10.5727 10.5872 11.3850 11.4012 15.9813 16.0047 17.8847 17.9103 19.2297 19.2299 k = 0.1583 0.2742-0.0000 ( 1079 PWs) bands (ev): -34.4117 -34.4117 5.2392 5.2405 6.8403 6.8655 7.3414 7.3663 7.8217 7.8720 10.6159 10.6279 11.2434 11.2601 15.8428 15.8659 17.8940 17.9185 19.2297 19.2299 k = 0.1542 0.2670-0.0000 ( 1079 PWs) bands (ev): -34.4131 -34.4131 5.1280 5.1294 6.8712 6.8978 7.3370 7.3530 7.8460 7.8891 10.6536 10.6615 11.1089 11.1280 15.7055 15.7281 17.9037 17.9269 19.2298 19.2300 k = 0.1500 0.2598-0.0000 ( 1083 PWs) bands (ev): -34.4145 -34.4145 5.0172 5.0187 6.9028 6.9314 7.3262 7.3325 7.8803 7.9163 10.6788 10.6794 10.9887 11.0133 15.5693 15.5914 17.9136 17.9354 19.2299 19.2300 k = 0.1458 0.2526-0.0000 ( 1083 PWs) bands (ev): -34.4159 -34.4159 4.9070 4.9085 6.9345 6.9663 7.3069 7.3106 7.9227 7.9523 10.6612 10.6700 10.9047 10.9371 15.4342 15.4557 17.9235 17.9439 19.2299 19.2301 k = 0.1417 0.2454-0.0000 ( 1083 PWs) bands (ev): -34.4173 -34.4172 4.7974 4.7989 6.9656 7.0020 7.2780 7.2920 7.9718 7.9959 10.5902 10.6014 10.8827 10.9161 15.3002 15.3211 17.9334 17.9523 19.2300 19.2301 k = 0.1375 0.2382-0.0000 ( 1087 PWs) bands (ev): -34.4187 -34.4186 4.6887 4.6902 6.9946 7.0379 7.2472 7.2729 8.0262 8.0458 10.4871 10.4963 10.8997 10.9298 15.1673 15.1876 17.9431 17.9607 19.2300 19.2301 k = 0.1333 0.2309-0.0000 ( 1079 PWs) bands (ev): -34.4200 -34.4200 4.5811 4.5824 7.0193 7.0729 7.2168 7.2566 8.0851 8.1011 10.3737 10.3814 10.9294 10.9565 15.0356 15.0551 17.9527 17.9689 19.2302 19.2303 k = 0.1292 0.2237-0.0000 ( 1077 PWs) bands (ev): -34.4214 -34.4214 4.4746 4.4758 7.0362 7.1019 7.1921 7.2471 8.1478 8.1608 10.2587 10.2655 10.9627 10.9878 14.9049 14.9237 17.9621 17.9769 19.2303 19.2304 k = 0.1250 0.2165-0.0000 ( 1077 PWs) bands (ev): -34.4228 -34.4228 4.3694 4.3706 7.0413 7.1080 7.1904 7.2489 8.2138 8.2245 10.1454 10.1518 10.9970 11.0205 14.7752 14.7934 17.9712 17.9847 19.2303 19.2304 k = 0.1208 0.2093-0.0000 ( 1077 PWs) bands (ev): -34.4241 -34.4241 4.2657 4.2668 7.0336 7.0862 7.2168 7.2632 8.2827 8.2916 10.0351 10.0414 11.0310 11.0533 14.6467 14.6642 17.9799 17.9922 19.2304 19.2305 k = 0.1167 0.2021-0.0000 ( 1077 PWs) bands (ev): -34.4255 -34.4254 4.1637 4.1647 7.0161 7.0552 7.2527 7.2872 8.3543 8.3617 9.9288 9.9351 11.0644 11.0855 14.5191 14.5359 17.9884 17.9994 19.2304 19.2305 k = 0.1125 0.1949-0.0000 ( 1077 PWs) bands (ev): -34.4268 -34.4267 4.0635 4.0644 6.9924 7.0219 7.2912 7.3174 8.4282 8.4345 9.8268 9.8331 11.0967 11.1169 14.3926 14.4087 17.9965 18.0064 19.2305 19.2305 k = 0.1083 0.1876-0.0000 ( 1077 PWs) bands (ev): -34.4280 -34.4280 3.9653 3.9661 6.9655 6.9882 7.3303 7.3508 8.5043 8.5097 9.7295 9.7360 11.1279 11.1472 14.2671 14.2825 18.0042 18.0131 19.2305 19.2306 k = 0.1042 0.1804-0.0000 ( 1081 PWs) bands (ev): -34.4293 -34.4293 3.8692 3.8699 6.9368 6.9546 7.3695 7.3860 8.5823 8.5871 9.6372 9.6439 11.1579 11.1763 14.1427 14.1573 18.0115 18.0194 19.2305 19.2306 k = 0.1000 0.1732-0.0000 ( 1081 PWs) bands (ev): -34.4305 -34.4305 3.7754 3.7760 6.9073 6.9214 7.4082 7.4217 8.6619 8.6662 9.5501 9.5571 11.1866 11.2042 14.0192 14.0332 18.0185 18.0255 19.2306 19.2306 k = 0.0958 0.1660-0.0000 ( 1077 PWs) bands (ev): -34.4317 -34.4317 3.6840 3.6846 6.8776 6.8890 7.4461 7.4574 8.7426 8.7468 9.4688 9.4761 11.2139 11.2308 13.8966 13.9100 18.0251 18.0312 19.2306 19.2307 k = 0.0917 0.1588-0.0000 ( 1077 PWs) bands (ev): -34.4329 -34.4329 3.5953 3.5958 6.8482 6.8574 7.4829 7.4924 8.8238 8.8283 9.3937 9.4016 11.2399 11.2560 13.7751 13.7878 18.0313 18.0367 19.2307 19.2307 k = 0.0875 0.1516-0.0000 ( 1077 PWs) bands (ev): -34.4341 -34.4340 3.5093 3.5097 6.8192 6.8267 7.5183 7.5264 8.9040 8.9092 9.3261 9.3351 11.2645 11.2798 13.6546 13.6666 18.0371 18.0418 19.2307 19.2307 k = 0.0833 0.1443-0.0000 ( 1077 PWs) bands (ev): -34.4352 -34.4351 3.4263 3.4266 6.7909 6.7970 7.5520 7.5589 8.9793 8.9860 9.2697 9.2804 11.2876 11.3022 13.5351 13.5464 18.0425 18.0466 19.2307 19.2308 k = 0.0792 0.1371-0.0000 ( 1083 PWs) bands (ev): -34.4362 -34.4362 3.3463 3.3466 6.7635 6.7684 7.5837 7.5896 9.0377 9.0465 9.2366 9.2495 11.3093 11.3231 13.4167 13.4273 18.0476 18.0511 19.2307 19.2307 k = 0.0750 0.1299-0.0000 ( 1083 PWs) bands (ev): -34.4372 -34.4372 3.2695 3.2697 6.7369 6.7409 7.6132 7.6183 9.0549 9.0622 9.2553 9.2667 11.3294 11.3425 13.2993 13.3093 18.0524 18.0553 19.2307 19.2307 k = 0.0708 0.1227-0.0000 ( 1087 PWs) bands (ev): -34.4382 -34.4382 3.1960 3.1962 6.7114 6.7146 7.6403 7.6446 9.0339 9.0376 9.3211 9.3287 11.3480 11.3603 13.1831 13.1925 18.0568 18.0592 19.2307 19.2307 k = 0.0667 0.1155-0.0000 ( 1083 PWs) bands (ev): -34.4392 -34.4391 3.1260 3.1262 6.6870 6.6895 7.6647 7.6684 9.0007 9.0023 9.4043 9.4098 11.3649 11.3765 13.0682 13.0769 18.0608 18.0629 19.2308 19.2308 k = 0.0625 0.1083-0.0000 ( 1083 PWs) bands (ev): -34.4400 -34.4400 3.0596 3.0598 6.6638 6.6658 7.6864 7.6894 8.9665 8.9672 9.4938 9.4982 11.3802 11.3910 12.9546 12.9627 18.0645 18.0662 19.2308 19.2308 k = 0.0583 0.1010-0.0000 ( 1083 PWs) bands (ev): -34.4409 -34.4409 2.9969 2.9970 6.6418 6.6434 7.7051 7.7076 8.9350 8.9352 9.5865 9.5901 11.3936 11.4036 12.8426 12.8500 18.0680 18.0693 19.2308 19.2308 k = 0.0542 0.0938-0.0000 ( 1083 PWs) bands (ev): -34.4417 -34.4417 2.9380 2.9381 6.6211 6.6223 7.7210 7.7230 8.9072 8.9073 9.6811 9.6842 11.4050 11.4142 12.7323 12.7391 18.0711 18.0722 19.2308 19.2308 k = 0.0500 0.0866-0.0000 ( 1083 PWs) bands (ev): -34.4424 -34.4424 2.8831 2.8832 6.6018 6.6027 7.7340 7.7357 8.8834 8.8837 9.7770 9.7796 11.4141 11.4226 12.6241 12.6303 18.0739 18.0748 19.2308 19.2308 k = 0.0458 0.0794-0.0000 ( 1087 PWs) bands (ev): -34.4431 -34.4431 2.8322 2.8322 6.5838 6.5846 7.7444 7.7457 8.8637 8.8640 9.8738 9.8760 11.4208 11.4283 12.5185 12.5241 18.0764 18.0771 19.2308 19.2308 k = 0.0417 0.0722-0.0000 ( 1087 PWs) bands (ev): -34.4437 -34.4437 2.7854 2.7854 6.5673 6.5679 7.7523 7.7533 8.8478 8.8481 9.9710 9.9730 11.4244 11.4311 12.4159 12.4209 18.0787 18.0792 19.2308 19.2308 k = 0.0375 0.0650-0.0000 ( 1087 PWs) bands (ev): -34.4443 -34.4443 2.7428 2.7428 6.5523 6.5527 7.7581 7.7588 8.8354 8.8356 10.0685 10.0702 11.4244 11.4302 12.3174 12.3217 18.0807 18.0811 19.2308 19.2308 k = 0.0333 0.0577-0.0000 ( 1087 PWs) bands (ev): -34.4448 -34.4448 2.7044 2.7044 6.5388 6.5390 7.7621 7.7626 8.8258 8.8260 10.1657 10.1672 11.4199 11.4248 12.2239 12.2275 18.0825 18.0828 19.2308 19.2308 k = 0.0292 0.0505-0.0000 ( 1095 PWs) bands (ev): -34.4453 -34.4453 2.6704 2.6705 6.5268 6.5269 7.7645 7.7648 8.8188 8.8189 10.2623 10.2635 11.4099 11.4139 12.1371 12.1400 18.0841 18.0842 19.2308 19.2308 k = 0.0250 0.0433-0.0000 ( 1095 PWs) bands (ev): -34.4457 -34.4457 2.6409 2.6409 6.5163 6.5164 7.7658 7.7660 8.8138 8.8138 10.3576 10.3585 11.3930 11.3960 12.0587 12.0609 18.0854 18.0855 19.2308 19.2308 k = 0.0208 0.0361-0.0000 ( 1099 PWs) bands (ev): -34.4460 -34.4460 2.6158 2.6158 6.5074 6.5075 7.7663 7.7664 8.8103 8.8104 10.4504 10.4511 11.3682 11.3703 11.9909 11.9923 18.0865 18.0865 19.2307 19.2307 k = 0.0167 0.0289-0.0000 ( 1099 PWs) bands (ev): -34.4463 -34.4463 2.5951 2.5951 6.5001 6.5001 7.7663 7.7663 8.8081 8.8081 10.5394 10.5398 11.3351 11.3363 11.9353 11.9362 18.0873 18.0874 19.2307 19.2307 k = 0.0125 0.0217-0.0000 ( 1099 PWs) bands (ev): -34.4465 -34.4465 2.5791 2.5791 6.4944 6.4944 7.7660 7.7660 8.8067 8.8067 10.6217 10.6219 11.2953 11.2959 11.8930 11.8934 18.0880 18.0880 19.2307 19.2307 k = 0.0083 0.0144-0.0000 ( 1099 PWs) bands (ev): -34.4467 -34.4467 2.5676 2.5676 6.4903 6.4903 7.7656 7.7656 8.8059 8.8059 10.6925 10.6926 11.2538 11.2540 11.8638 11.8639 18.0885 18.0885 19.2307 19.2307 k = 0.0042 0.0072-0.0000 ( 1099 PWs) bands (ev): -34.4467 -34.4467 2.5607 2.5607 6.4879 6.4879 7.7653 7.7653 8.8055 8.8055 10.7434 10.7434 11.2199 11.2200 11.8469 11.8469 18.0888 18.0888 19.2307 19.2307 k = 0.0000 0.0000 0.0000 ( 1099 PWs) bands (ev): -34.4468 -34.4468 2.5584 2.5584 6.4871 6.4871 7.7652 7.7652 8.8053 8.8053 10.7626 10.7626 11.2063 11.2063 11.8413 11.8413 18.0889 18.0889 19.2307 19.2307 k = 0.0000 0.0000 0.0000 ( 1099 PWs) bands (ev): -34.4468 -34.4468 2.5584 2.5584 6.4871 6.4871 7.7652 7.7652 8.8053 8.8053 10.7626 10.7626 11.2063 11.2063 11.8413 11.8413 18.0889 18.0889 19.2307 19.2307 k = 0.0000 0.0000 0.0084 ( 1099 PWs) bands (ev): -34.4468 -34.4468 2.5586 2.5586 6.4881 6.4881 7.7652 7.7653 8.8054 8.8054 10.7578 10.7578 11.2068 11.2068 11.8412 11.8413 18.0947 18.0947 19.2308 19.2308 k = 0.0000 0.0000 0.0167 ( 1099 PWs) bands (ev): -34.4468 -34.4468 2.5594 2.5594 6.4910 6.4910 7.7652 7.7653 8.8054 8.8054 10.7439 10.7439 11.2082 11.2082 11.8408 11.8412 18.1123 18.1123 19.2308 19.2308 k = 0.0000 0.0000 0.0251 ( 1099 PWs) bands (ev): -34.4468 -34.4468 2.5607 2.5607 6.4960 6.4960 7.7652 7.7654 8.8055 8.8055 10.7209 10.7209 11.2103 11.2103 11.8403 11.8408 18.1413 18.1413 19.2309 19.2309 k = 0.0000 0.0000 0.0335 ( 1099 PWs) bands (ev): -34.4467 -34.4467 2.5626 2.5626 6.5029 6.5029 7.7653 7.7655 8.8056 8.8056 10.6895 10.6895 11.2129 11.2129 11.8397 11.8403 18.1817 18.1817 19.2310 19.2310 k = 0.0000 0.0000 0.0418 ( 1099 PWs) bands (ev): -34.4467 -34.4467 2.5649 2.5649 6.5118 6.5118 7.7654 7.7657 8.8058 8.8058 10.6501 10.6501 11.2156 11.2156 11.8389 11.8397 18.2330 18.2330 19.2311 19.2311 k = 0.0000 0.0000 0.0502 ( 1099 PWs) bands (ev): -34.4467 -34.4467 2.5677 2.5677 6.5227 6.5227 7.7655 7.7659 8.8060 8.8060 10.6035 10.6035 11.2183 11.2183 11.8379 11.8389 18.2949 18.2949 19.2313 19.2313 k = 0.0000 0.0000 0.0586 ( 1099 PWs) bands (ev): -34.4467 -34.4467 2.5710 2.5710 6.5357 6.5357 7.7656 7.7661 8.8062 8.8062 10.5501 10.5501 11.2208 11.2208 11.8368 11.8379 18.3669 18.3669 19.2315 19.2315 k = 0.0000 0.0000 0.0669 ( 1099 PWs) bands (ev): -34.4466 -34.4466 2.5747 2.5747 6.5506 6.5506 7.7658 7.7663 8.8065 8.8065 10.4906 10.4906 11.2231 11.2231 11.8356 11.8368 18.4484 18.4484 19.2318 19.2318 k = 0.0000 0.0000 0.0753 ( 1099 PWs) bands (ev): -34.4466 -34.4466 2.5788 2.5788 6.5676 6.5676 7.7660 7.7665 8.8067 8.8067 10.4255 10.4255 11.2250 11.2250 11.8343 11.8356 18.5390 18.5390 19.2323 19.2323 k = 0.0000 0.0000 0.0837 ( 1099 PWs) bands (ev): -34.4465 -34.4465 2.5833 2.5833 6.5867 6.5867 7.7662 7.7668 8.8070 8.8070 10.3553 10.3553 11.2265 11.2265 11.8328 11.8342 18.6379 18.6379 19.2329 19.2329 k = 0.0000 0.0000 0.0920 ( 1105 PWs) bands (ev): -34.4465 -34.4465 2.5881 2.5881 6.6078 6.6078 7.7664 7.7670 8.8074 8.8074 10.2806 10.2806 11.2276 11.2276 11.8312 11.8328 18.7445 18.7445 19.2339 19.2339 k = 0.0000 0.0000 0.1004 ( 1105 PWs) bands (ev): -34.4465 -34.4465 2.5932 2.5932 6.6310 6.6310 7.7667 7.7673 8.8077 8.8077 10.2019 10.2019 11.2284 11.2284 11.8296 11.8312 18.8577 18.8577 19.2356 19.2356 k = 0.0000 0.0000 0.1088 ( 1105 PWs) bands (ev): -34.4464 -34.4464 2.5986 2.5986 6.6562 6.6562 7.7669 7.7676 8.8081 8.8081 10.1197 10.1197 11.2289 11.2289 11.8279 11.8296 18.9761 18.9761 19.2390 19.2390 k = 0.0000 0.0000 0.1171 ( 1105 PWs) bands (ev): -34.4464 -34.4464 2.6043 2.6043 6.6836 6.6836 7.7672 7.7679 8.8085 8.8085 10.0344 10.0344 11.2291 11.2291 11.8261 11.8278 19.0946 19.0946 19.2484 19.2484 k = 0.0000 0.0000 0.1255 ( 1093 PWs) bands (ev): -34.4463 -34.4463 2.6101 2.6101 6.7131 6.7131 7.7675 7.7682 8.8089 8.8089 9.9464 9.9464 11.2290 11.2290 11.8242 11.8260 19.1856 19.1856 19.2912 19.2912 k = 0.0000 0.0000 0.1339 ( 1081 PWs) bands (ev): -34.4462 -34.4462 2.6160 2.6160 6.7447 6.7447 7.7678 7.7685 8.8093 8.8093 9.8564 9.8564 11.2287 11.2287 11.8224 11.8242 19.2131 19.2131 19.4025 19.4025 k = 0.0000 0.0000 0.1423 ( 1081 PWs) bands (ev): -34.4462 -34.4462 2.6221 2.6221 6.7785 6.7785 7.7681 7.7688 8.8097 8.8097 9.7645 9.7645 11.2283 11.2283 11.8205 11.8223 19.2199 19.2199 19.5387 19.5387 k = 0.0000 0.0000 0.1506 ( 1081 PWs) bands (ev): -34.4461 -34.4461 2.6282 2.6282 6.8143 6.8143 7.7684 7.7691 8.8101 8.8101 9.6714 9.6714 11.2276 11.2276 11.8186 11.8205 19.2226 19.2226 19.6829 19.6829 k = 0.0000 0.0000 0.1590 ( 1087 PWs) bands (ev): -34.4461 -34.4461 2.6342 2.6342 6.8523 6.8523 7.7687 7.7695 8.8105 8.8105 9.5772 9.5772 11.2269 11.2269 11.8167 11.8186 19.2240 19.2240 19.8315 19.8315 k = 0.0000 0.0000 0.1674 ( 1087 PWs) bands (ev): -34.4460 -34.4460 2.6403 2.6403 6.8923 6.8923 7.7690 7.7698 8.8110 8.8110 9.4825 9.4825 11.2260 11.2260 11.8148 11.8167 19.2249 19.2249 19.9833 19.9833 k = 0.0000 0.0000 0.1757 ( 1087 PWs) bands (ev): -34.4460 -34.4460 2.6462 2.6462 6.9344 6.9344 7.7693 7.7701 8.8114 8.8114 9.3875 9.3875 11.2251 11.2251 11.8130 11.8148 19.2255 19.2255 20.1373 20.1373 k = 0.0000 0.0000 0.1841 ( 1075 PWs) bands (ev): -34.4459 -34.4459 2.6520 2.6520 6.9784 6.9784 7.7697 7.7703 8.8118 8.8118 9.2926 9.2926 11.2241 11.2241 11.8112 11.8130 19.2261 19.2261 20.2926 20.2926 k = 0.0000 0.0000 0.1925 ( 1075 PWs) bands (ev): -34.4459 -34.4459 2.6576 2.6576 7.0244 7.0244 7.7700 7.7706 8.8122 8.8122 9.1982 9.1982 11.2231 11.2231 11.8095 11.8112 19.2264 19.2264 20.4483 20.4483 k = 0.0000 0.0000 0.2008 ( 1075 PWs) bands (ev): -34.4458 -34.4458 2.6630 2.6630 7.0722 7.0722 7.7702 7.7709 8.8125 8.8125 9.1046 9.1046 11.2221 11.2221 11.8079 11.8095 19.2266 19.2266 20.6036 20.6036 k = 0.0000 0.0000 0.2092 ( 1075 PWs) bands (ev): -34.4458 -34.4458 2.6682 2.6682 7.1217 7.1217 7.7705 7.7711 8.8129 8.8129 9.0121 9.0121 11.2210 11.2210 11.8063 11.8079 19.2268 19.2268 20.7575 20.7575 k = 0.0000 0.0000 0.2176 ( 1068 PWs) bands (ev): -34.4457 -34.4457 2.6730 2.6730 7.1727 7.1727 7.7708 7.7714 8.8132 8.8132 8.9212 8.9212 11.2201 11.2201 11.8049 11.8063 19.2270 19.2270 20.9087 20.9087 k = 0.0000 0.0000 0.2259 ( 1062 PWs) bands (ev): -34.4457 -34.4457 2.6775 2.6775 7.2249 7.2249 7.7710 7.7716 8.8134 8.8134 8.8324 8.8324 11.2191 11.2191 11.8036 11.8049 19.2272 19.2272 21.0559 21.0559 k = 0.0000 0.0000 0.2343 ( 1062 PWs) bands (ev): -34.4456 -34.4456 2.6816 2.6816 7.2780 7.2780 7.7713 7.7717 8.7460 8.7460 8.8138 8.8138 11.2183 11.2183 11.8023 11.8035 19.2273 19.2273 21.1976 21.1976 k = 0.0000 0.0000 0.2427 ( 1062 PWs) bands (ev): -34.4456 -34.4456 2.6853 2.6853 7.3314 7.3314 7.7715 7.7719 8.6630 8.6630 8.8141 8.8141 11.2175 11.2175 11.8013 11.8023 19.2274 19.2274 21.3320 21.3320 k = 0.0000 0.0000 0.2510 ( 1068 PWs) bands (ev): -34.4456 -34.4456 2.6886 2.6886 7.3845 7.3845 7.7717 7.7720 8.5840 8.5840 8.8143 8.8143 11.2168 11.2168 11.8003 11.8013 19.2274 19.2274 21.4568 21.4568 k = 0.0000 0.0000 0.2594 ( 1068 PWs) bands (ev): -34.4455 -34.4455 2.6914 2.6914 7.4361 7.4361 7.7719 7.7722 8.5102 8.5102 8.8145 8.8145 11.2161 11.2161 11.7995 11.8003 19.2274 19.2274 21.5696 21.5696 k = 0.0000 0.0000 0.2678 ( 1068 PWs) bands (ev): -34.4455 -34.4455 2.6937 2.6937 7.4846 7.4846 7.7720 7.7723 8.4434 8.4434 8.8146 8.8146 11.2156 11.2156 11.7989 11.7995 19.2275 19.2275 21.6678 21.6678 k = 0.0000 0.0000 0.2761 ( 1068 PWs) bands (ev): -34.4455 -34.4455 2.6955 2.6955 7.5279 7.5279 7.7721 7.7723 8.3859 8.3859 8.8148 8.8148 11.2152 11.2152 11.7984 11.7989 19.2275 19.2275 21.7483 21.7483 k = 0.0000 0.0000 0.2845 ( 1074 PWs) bands (ev): -34.4455 -34.4455 2.6968 2.6968 7.5630 7.5630 7.7722 7.7723 8.3406 8.3406 8.8148 8.8148 11.2149 11.2149 11.7981 11.7984 19.2274 19.2274 21.8083 21.8083 k = 0.0000 0.0000 0.2929 ( 1074 PWs) bands (ev): -34.4455 -34.4455 2.6976 2.6976 7.5862 7.5862 7.7723 7.7724 8.3112 8.3112 8.8149 8.8149 11.2147 11.2147 11.7979 11.7981 19.2275 19.2275 21.8455 21.8455 k = 0.0000 0.0000 0.3012 ( 1074 PWs) bands (ev): -34.4455 -34.4455 2.6979 2.6979 7.5944 7.5944 7.7723 7.7723 8.3009 8.3009 8.8149 8.8149 11.2147 11.2147 11.7979 11.7979 19.2275 19.2275 21.8581 21.8581 k = 0.0000 0.0000 0.3012 ( 1074 PWs) bands (ev): -34.4455 -34.4455 2.6979 2.6979 7.5944 7.5944 7.7723 7.7723 8.3009 8.3009 8.8149 8.8149 11.2147 11.2147 11.7979 11.7979 19.2275 19.2275 21.8581 21.8581 k = 0.0072 0.0042 0.3012 ( 1074 PWs) bands (ev): -34.4455 -34.4455 2.7003 2.7003 7.5951 7.5951 7.7724 7.7724 8.3000 8.3000 8.8150 8.8150 11.2145 11.2145 11.7974 11.7974 19.2275 19.2275 21.8607 21.8607 k = 0.0145 0.0084 0.3012 ( 1074 PWs) bands (ev): -34.4454 -34.4454 2.7076 2.7076 7.5973 7.5973 7.7727 7.7727 8.2972 8.2972 8.8155 8.8155 11.2139 11.2139 11.7959 11.7959 19.2275 19.2275 21.8684 21.8684 k = 0.0217 0.0126 0.3012 ( 1074 PWs) bands (ev): -34.4452 -34.4452 2.7198 2.7198 7.6009 7.6009 7.7730 7.7730 8.2925 8.2925 8.8163 8.8163 11.2131 11.2131 11.7934 11.7934 19.2275 19.2275 21.8813 21.8813 k = 0.0290 0.0167 0.3012 ( 1074 PWs) bands (ev): -34.4450 -34.4450 2.7368 2.7368 7.6059 7.6059 7.7733 7.7733 8.2859 8.2859 8.8177 8.8177 11.2118 11.2118 11.7900 11.7900 19.2275 19.2275 21.8992 21.8992 k = 0.0362 0.0209 0.3012 ( 1072 PWs) bands (ev): -34.4447 -34.4447 2.7586 2.7586 7.6123 7.6123 7.7733 7.7733 8.2776 8.2776 8.8200 8.8200 11.2103 11.2103 11.7856 11.7856 19.2275 19.2275 21.9221 21.9221 k = 0.0435 0.0251 0.3012 ( 1072 PWs) bands (ev): -34.4444 -34.4444 2.7852 2.7852 7.6199 7.6199 7.7728 7.7728 8.2676 8.2676 8.8235 8.8235 11.2084 11.2084 11.7804 11.7804 19.2275 19.2275 21.9497 21.9497 k = 0.0507 0.0293 0.3012 ( 1068 PWs) bands (ev): -34.4440 -34.4440 2.8165 2.8165 7.6287 7.6287 7.7716 7.7716 8.2560 8.2560 8.8286 8.8286 11.2062 11.2062 11.7744 11.7744 19.2275 19.2275 21.9821 21.9821 k = 0.0580 0.0335 0.3012 ( 1070 PWs) bands (ev): -34.4436 -34.4436 2.8525 2.8525 7.6384 7.6384 7.7693 7.7693 8.2429 8.2429 8.8357 8.8357 11.2037 11.2037 11.7677 11.7677 19.2275 19.2275 22.0189 22.0189 k = 0.0652 0.0377 0.3012 ( 1070 PWs) bands (ev): -34.4430 -34.4430 2.8931 2.8931 7.6489 7.6489 7.7658 7.7658 8.2285 8.2285 8.8453 8.8453 11.2008 11.2008 11.7603 11.7603 19.2275 19.2275 22.0600 22.0600 k = 0.0725 0.0418 0.3012 ( 1070 PWs) bands (ev): -34.4425 -34.4425 2.9381 2.9381 7.6598 7.6598 7.7611 7.7611 8.2129 8.2129 8.8579 8.8579 11.1977 11.1977 11.7524 11.7524 19.2275 19.2275 22.1051 22.1051 k = 0.0797 0.0460 0.3012 ( 1070 PWs) bands (ev): -34.4419 -34.4419 2.9877 2.9877 7.6703 7.6703 7.7551 7.7551 8.1965 8.1965 8.8738 8.8738 11.1944 11.1944 11.7440 11.7440 19.2275 19.2275 22.1540 22.1540 k = 0.0870 0.0502 0.3012 ( 1072 PWs) bands (ev): -34.4412 -34.4412 3.0415 3.0415 7.6794 7.6794 7.7487 7.7487 8.1796 8.1796 8.8935 8.8935 11.1907 11.1907 11.7354 11.7354 19.2275 19.2275 22.2063 22.2063 k = 0.0942 0.0544 0.3012 ( 1080 PWs) bands (ev): -34.4405 -34.4405 3.0996 3.0996 7.6847 7.6847 7.7434 7.7434 8.1626 8.1626 8.9173 8.9173 11.1866 11.1866 11.7266 11.7266 19.2274 19.2274 22.2618 22.2618 k = 0.1014 0.0586 0.3012 ( 1084 PWs) bands (ev): -34.4397 -34.4397 3.1617 3.1617 7.6830 7.6830 7.7420 7.7420 8.1463 8.1463 8.9455 8.9455 11.1823 11.1823 11.7177 11.7177 19.2274 19.2274 22.3199 22.3199 k = 0.1087 0.0628 0.3012 ( 1088 PWs) bands (ev): -34.4389 -34.4389 3.2277 3.2277 7.6734 7.6734 7.7445 7.7445 8.1314 8.1314 8.9782 8.9782 11.1776 11.1776 11.7089 11.7089 19.2273 19.2273 22.3802 22.3802 k = 0.1159 0.0669 0.3012 ( 1092 PWs) bands (ev): -34.4380 -34.4380 3.2975 3.2975 7.6579 7.6579 7.7480 7.7480 8.1191 8.1191 9.0156 9.0156 11.1725 11.1725 11.7004 11.7004 19.2273 19.2273 22.4424 22.4424 k = 0.1232 0.0711 0.3012 ( 1088 PWs) bands (ev): -34.4371 -34.4371 3.3708 3.3708 7.6387 7.6387 7.7496 7.7496 8.1105 8.1105 9.0575 9.0575 11.1670 11.1670 11.6924 11.6924 19.2273 19.2273 22.5057 22.5057 k = 0.1304 0.0753 0.3012 ( 1090 PWs) bands (ev): -34.4361 -34.4361 3.4474 3.4474 7.6168 7.6168 7.7471 7.7471 8.1069 8.1069 9.1041 9.1041 11.1610 11.1610 11.6849 11.6849 19.2273 19.2273 22.5697 22.5697 k = 0.1377 0.0795 0.3012 ( 1090 PWs) bands (ev): -34.4351 -34.4351 3.5271 3.5271 7.5934 7.5934 7.7393 7.7393 8.1093 8.1093 9.1552 9.1552 11.1545 11.1545 11.6782 11.6782 19.2273 19.2273 22.6335 22.6335 k = 0.1449 0.0837 0.3012 ( 1094 PWs) bands (ev): -34.4341 -34.4341 3.6095 3.6095 7.5688 7.5688 7.7256 7.7256 8.1179 8.1179 9.2107 9.2107 11.1474 11.1474 11.6724 11.6724 19.2272 19.2272 22.6963 22.6963 k = 0.1522 0.0879 0.3012 ( 1094 PWs) bands (ev): -34.4330 -34.4330 3.6943 3.6943 7.5439 7.5439 7.7062 7.7062 8.1325 8.1325 9.2705 9.2705 11.1397 11.1397 11.6678 11.6678 19.2272 19.2272 22.7573 22.7573 k = 0.1594 0.0920 0.3012 ( 1094 PWs) bands (ev): -34.4319 -34.4319 3.7811 3.7811 7.5192 7.5192 7.6819 7.6819 8.1525 8.1525 9.3342 9.3342 11.1313 11.1313 11.6643 11.6643 19.2272 19.2272 22.8152 22.8152 k = 0.1667 0.0962 0.3012 ( 1094 PWs) bands (ev): -34.4307 -34.4307 3.8695 3.8695 7.4954 7.4954 7.6535 7.6535 8.1770 8.1770 9.4019 9.4019 11.1223 11.1223 11.6623 11.6623 19.2272 19.2272 22.8688 22.8688 k = 0.1739 0.1004 0.3012 ( 1094 PWs) bands (ev): -34.4296 -34.4296 3.9590 3.9590 7.4731 7.4731 7.6217 7.6217 8.2054 8.2054 9.4731 9.4731 11.1127 11.1127 11.6618 11.6618 19.2272 19.2272 22.9167 22.9167 k = 0.1812 0.1046 0.3012 ( 1090 PWs) bands (ev): -34.4283 -34.4283 4.0490 4.0490 7.4529 7.4529 7.5874 7.5874 8.2370 8.2370 9.5478 9.5478 11.1024 11.1024 11.6628 11.6628 19.2272 19.2272 22.9572 22.9572 k = 0.1884 0.1088 0.3012 ( 1092 PWs) bands (ev): -34.4271 -34.4271 4.1389 4.1389 7.4355 7.4355 7.5514 7.5514 8.2713 8.2713 9.6257 9.6257 11.0916 11.0916 11.6655 11.6655 19.2272 19.2272 22.9884 22.9884 k = 0.1957 0.1130 0.3012 ( 1096 PWs) bands (ev): -34.4259 -34.4259 4.2279 4.2279 7.4211 7.4211 7.5145 7.5145 8.3079 8.3079 9.7065 9.7065 11.0804 11.0804 11.6699 11.6699 19.2271 19.2271 23.0084 23.0084 k = 0.2029 0.1171 0.3012 ( 1096 PWs) bands (ev): -34.4246 -34.4246 4.3153 4.3153 7.4091 7.4091 7.4788 7.4788 8.3466 8.3466 9.7900 9.7900 11.0690 11.0690 11.6760 11.6760 19.2271 19.2271 23.0151 23.0151 k = 0.2101 0.1213 0.3012 ( 1092 PWs) bands (ev): -34.4233 -34.4233 4.4002 4.4002 7.3947 7.3947 7.4504 7.4504 8.3870 8.3870 9.8758 9.8758 11.0574 11.0574 11.6838 11.6838 19.2272 19.2272 23.0067 23.0067 k = 0.2174 0.1255 0.3012 ( 1092 PWs) bands (ev): -34.4220 -34.4220 4.4818 4.4818 7.3679 7.3679 7.4402 7.4402 8.4291 8.4291 9.9635 9.9635 11.0461 11.0461 11.6934 11.6934 19.2272 19.2272 22.9819 22.9819 k = 0.2246 0.1297 0.3012 ( 1092 PWs) bands (ev): -34.4206 -34.4206 4.5590 4.5590 7.3309 7.3309 7.4474 7.4474 8.4726 8.4726 10.0526 10.0526 11.0355 11.0355 11.7047 11.7047 19.2271 19.2271 22.9400 22.9400 k = 0.2319 0.1339 0.3012 ( 1092 PWs) bands (ev): -34.4193 -34.4193 4.6311 4.6311 7.2900 7.2900 7.4669 7.4669 8.5175 8.5175 10.1426 10.1426 11.0260 11.0260 11.7176 11.7176 19.2271 19.2271 22.8813 22.8813 k = 0.2391 0.1381 0.3012 ( 1088 PWs) bands (ev): -34.4180 -34.4180 4.6971 4.6971 7.2476 7.2476 7.4972 7.4972 8.5636 8.5636 10.2324 10.2324 11.0185 11.0185 11.7322 11.7322 19.2272 19.2272 22.8066 22.8066 k = 0.2464 0.1422 0.3012 ( 1088 PWs) bands (ev): -34.4166 -34.4166 4.7563 4.7563 7.2044 7.2044 7.5384 7.5384 8.6109 8.6109 10.3209 10.3209 11.0141 11.0141 11.7484 11.7484 19.2271 19.2271 22.7177 22.7177 k = 0.2536 0.1464 0.3012 ( 1088 PWs) bands (ev): -34.4153 -34.4153 4.8081 4.8081 7.1610 7.1610 7.5907 7.5907 8.6593 8.6593 10.4061 10.4061 11.0147 11.0147 11.7660 11.7660 19.2271 19.2271 22.6167 22.6167 k = 0.2609 0.1506 0.3012 ( 1088 PWs) bands (ev): -34.4139 -34.4139 4.8523 4.8523 7.1175 7.1175 7.6542 7.6542 8.7088 8.7088 10.4852 10.4852 11.0229 11.0229 11.7852 11.7852 19.2271 19.2271 22.5057 22.5057 k = 0.2681 0.1548 0.3012 ( 1092 PWs) bands (ev): -34.4126 -34.4126 4.8887 4.8887 7.0742 7.0742 7.7288 7.7288 8.7593 8.7593 10.5544 10.5544 11.0425 11.0425 11.8059 11.8059 19.2270 19.2270 22.3869 22.3869 k = 0.2754 0.1590 0.3012 ( 1092 PWs) bands (ev): -34.4113 -34.4113 4.9173 4.9173 7.0311 7.0311 7.8142 7.8142 8.8111 8.8111 10.6096 10.6096 11.0772 11.0772 11.8280 11.8280 19.2270 19.2270 22.2622 22.2622 k = 0.2826 0.1632 0.3012 ( 1086 PWs) bands (ev): -34.4099 -34.4099 4.9386 4.9386 6.9885 6.9885 7.9096 7.9096 8.8641 8.8641 10.6484 10.6484 11.1293 11.1293 11.8516 11.8516 19.2271 19.2271 22.1333 22.1333 k = 0.2899 0.1673 0.3012 ( 1086 PWs) bands (ev): -34.4086 -34.4086 4.9530 4.9530 6.9464 6.9464 8.0142 8.0142 8.9187 8.9187 10.6719 10.6719 11.1975 11.1975 11.8767 11.8767 19.2270 19.2270 22.0015 22.0015 k = 0.2971 0.1715 0.3012 ( 1082 PWs) bands (ev): -34.4073 -34.4073 4.9612 4.9612 6.9049 6.9049 8.1266 8.1266 8.9752 8.9752 10.6835 10.6835 11.2782 11.2782 11.9033 11.9033 19.2270 19.2270 21.8682 21.8682 k = 0.3043 0.1757 0.3012 ( 1084 PWs) bands (ev): -34.4060 -34.4060 4.9637 4.9637 6.8642 6.8642 8.2454 8.2454 9.0342 9.0342 10.6869 10.6869 11.3671 11.3671 11.9316 11.9316 19.2270 19.2270 21.7342 21.7342 k = 0.3116 0.1799 0.3012 ( 1084 PWs) bands (ev): -34.4048 -34.4048 4.9614 4.9614 6.8242 6.8242 8.3686 8.3686 9.0967 9.0967 10.6851 10.6851 11.4608 11.4608 11.9619 11.9619 19.2269 19.2269 21.6003 21.6003 k = 0.3188 0.1841 0.3012 ( 1088 PWs) bands (ev): -34.4035 -34.4035 4.9550 4.9550 6.7852 6.7852 8.4938 8.4938 9.1640 9.1640 10.6799 10.6799 11.5567 11.5567 11.9947 11.9947 19.2268 19.2268 21.4674 21.4674 k = 0.3261 0.1883 0.3012 ( 1088 PWs) bands (ev): -34.4023 -34.4023 4.9450 4.9450 6.7471 6.7471 8.6179 8.6179 9.2381 9.2381 10.6728 10.6728 11.6523 11.6523 12.0307 12.0307 19.2268 19.2268 21.3358 21.3358 k = 0.3333 0.1925 0.3012 ( 1084 PWs) bands (ev): -34.4011 -34.4011 4.9322 4.9322 6.7101 6.7101 8.7374 8.7374 9.3218 9.3218 10.6645 10.6645 11.7451 11.7451 12.0713 12.0713 19.2267 19.2267 21.2061 21.2061 k = 0.3406 0.1966 0.3012 ( 1080 PWs) bands (ev): -34.4000 -34.4000 4.9171 4.9171 6.6741 6.6741 8.8484 8.8484 9.4178 9.4178 10.6556 10.6556 11.8322 11.8322 12.1185 12.1185 19.2267 19.2267 21.0786 21.0786 k = 0.3478 0.2008 0.3012 ( 1072 PWs) bands (ev): -34.3989 -34.3989 4.9002 4.9002 6.6394 6.6394 8.9477 8.9477 9.5282 9.5282 10.6467 10.6467 11.9104 11.9104 12.1748 12.1748 19.2267 19.2267 20.9537 20.9537 k = 0.3551 0.2050 0.3012 ( 1068 PWs) bands (ev): -34.3978 -34.3978 4.8819 4.8819 6.6059 6.6059 9.0344 9.0344 9.6531 9.6531 10.6379 10.6379 11.9776 11.9776 12.2418 12.2418 19.2266 19.2266 20.8313 20.8313 k = 0.3623 0.2092 0.3012 ( 1068 PWs) bands (ev): -34.3967 -34.3967 4.8627 4.8627 6.5737 6.5737 9.1090 9.1090 9.7908 9.7908 10.6297 10.6297 12.0338 12.0338 12.3185 12.3185 19.2265 19.2265 20.7117 20.7117 k = 0.3696 0.2134 0.3012 ( 1068 PWs) bands (ev): -34.3957 -34.3957 4.8430 4.8430 6.5428 6.5428 9.1736 9.1736 9.9381 9.9381 10.6222 10.6222 12.0818 12.0818 12.4021 12.4021 19.2263 19.2263 20.5947 20.5947 k = 0.3768 0.2176 0.3012 ( 1064 PWs) bands (ev): -34.3948 -34.3948 4.8230 4.8230 6.5134 6.5134 9.2300 9.2300 10.0918 10.0918 10.6161 10.6161 12.1241 12.1241 12.4892 12.4892 19.2261 19.2261 20.4799 20.4799 k = 0.3841 0.2217 0.3012 ( 1068 PWs) bands (ev): -34.3938 -34.3938 4.8030 4.8030 6.4853 6.4853 9.2800 9.2800 10.2480 10.2480 10.6125 10.6125 12.1629 12.1629 12.5773 12.5773 19.2258 19.2258 20.3669 20.3669 k = 0.3913 0.2259 0.3012 ( 1068 PWs) bands (ev): -34.3930 -34.3930 4.7833 4.7833 6.4588 6.4588 9.3248 9.3248 10.4003 10.4003 10.6155 10.6155 12.1996 12.1996 12.6645 12.6645 19.2255 19.2255 20.2545 20.2545 k = 0.3986 0.2301 0.3012 ( 1072 PWs) bands (ev): -34.3921 -34.3921 4.7640 4.7640 6.4338 6.4338 9.3651 9.3651 10.5211 10.5211 10.6507 10.6507 12.2351 12.2351 12.7495 12.7495 19.2249 19.2249 20.1409 20.1409 k = 0.4058 0.2343 0.3012 ( 1072 PWs) bands (ev): -34.3914 -34.3914 4.7454 4.7454 6.4103 6.4103 9.4015 9.4015 10.5598 10.5598 10.7669 10.7669 12.2701 12.2701 12.8314 12.8314 19.2243 19.2243 20.0239 20.0239 k = 0.4130 0.2385 0.3012 ( 1072 PWs) bands (ev): -34.3906 -34.3906 4.7277 4.7277 6.3885 6.3885 9.4344 9.4344 10.5655 10.5655 10.9133 10.9133 12.3050 12.3050 12.9094 12.9094 19.2234 19.2234 19.9010 19.9010 k = 0.4203 0.2427 0.3012 ( 1068 PWs) bands (ev): -34.3900 -34.3900 4.7109 4.7109 6.3683 6.3683 9.4641 9.4641 10.5655 10.5655 11.0604 11.0604 12.3404 12.3404 12.9827 12.9827 19.2221 19.2221 19.7711 19.7711 k = 0.4275 0.2468 0.3012 ( 1064 PWs) bands (ev): -34.3893 -34.3893 4.6952 4.6952 6.3498 6.3498 9.4908 9.4908 10.5643 10.5643 11.2021 11.2021 12.3766 12.3766 13.0507 13.0507 19.2198 19.2198 19.6361 19.6361 k = 0.4348 0.2510 0.3012 ( 1064 PWs) bands (ev): -34.3888 -34.3888 4.6807 4.6807 6.3329 6.3329 9.5146 9.5146 10.5629 10.5629 11.3351 11.3351 12.4140 12.4140 13.1131 13.1131 19.2152 19.2152 19.5009 19.5009 k = 0.4420 0.2552 0.3012 ( 1064 PWs) bands (ev): -34.3883 -34.3883 4.6675 4.6675 6.3177 6.3177 9.5356 9.5356 10.5616 10.5616 11.4571 11.4571 12.4529 12.4529 13.1692 13.1692 19.2035 19.2035 19.3753 19.3753 k = 0.4493 0.2594 0.3012 ( 1072 PWs) bands (ev): -34.3878 -34.3878 4.6557 4.6557 6.3043 6.3043 9.5539 9.5539 10.5606 10.5606 11.5662 11.5662 12.4933 12.4933 13.2188 13.2188 19.1629 19.1629 19.2850 19.2850 k = 0.4565 0.2636 0.3012 ( 1080 PWs) bands (ev): -34.3874 -34.3874 4.6453 4.6453 6.2927 6.2927 9.5696 9.5696 10.5599 10.5599 11.6608 11.6608 12.5347 12.5347 13.2616 13.2616 19.0747 19.0747 19.2526 19.2526 k = 0.4638 0.2678 0.3012 ( 1080 PWs) bands (ev): -34.3871 -34.3871 4.6364 4.6364 6.2828 6.2828 9.5828 9.5828 10.5593 10.5593 11.7399 11.7399 12.5758 12.5758 13.2973 13.2973 18.9767 18.9767 19.2433 19.2433 k = 0.4710 0.2719 0.3012 ( 1076 PWs) bands (ev): -34.3868 -34.3868 4.6291 4.6291 6.2747 6.2747 9.5934 9.5934 10.5590 10.5590 11.8033 11.8033 12.6148 12.6148 13.3261 13.3261 18.8890 18.8890 19.2395 19.2395 k = 0.4783 0.2761 0.3012 ( 1078 PWs) bands (ev): -34.3866 -34.3866 4.6234 4.6234 6.2683 6.2683 9.6017 9.6017 10.5588 10.5588 11.8514 11.8514 12.6492 12.6492 13.3481 13.3481 18.8173 18.8173 19.2375 19.2375 k = 0.4855 0.2803 0.3012 ( 1078 PWs) bands (ev): -34.3864 -34.3864 4.6193 4.6193 6.2638 6.2638 9.6075 9.6075 10.5587 10.5587 11.8848 11.8848 12.6763 12.6763 13.3634 13.3634 18.7645 18.7645 19.2365 19.2365 k = 0.4928 0.2845 0.3012 ( 1084 PWs) bands (ev): -34.3863 -34.3863 4.6168 4.6168 6.2611 6.2611 9.6110 9.6110 10.5586 10.5586 11.9045 11.9045 12.6937 12.6937 13.3725 13.3725 18.7321 18.7321 19.2359 19.2359 k = 0.5000 0.2887 0.3012 ( 1080 PWs) bands (ev): -34.3863 -34.3863 4.6160 4.6160 6.2602 6.2602 9.6122 9.6122 10.5586 10.5586 11.9110 11.9110 12.6997 12.6997 13.3755 13.3755 18.7212 18.7212 19.2358 19.2358 k = 0.5000 0.2887 0.3012 ( 1080 PWs) bands (ev): -34.3863 -34.3863 4.6160 4.6160 6.2602 6.2602 9.6122 9.6122 10.5586 10.5586 11.9110 11.9110 12.6997 12.6997 13.3755 13.3755 18.7212 18.7212 19.2358 19.2358 k = 0.4958 0.2959 0.3012 ( 1076 PWs) bands (ev): -34.3863 -34.3863 4.6186 4.6188 6.2605 6.2617 9.6101 9.6134 10.5529 10.5563 11.8946 11.9175 12.6736 12.6929 13.4009 13.4019 18.7180 18.7217 19.2358 19.2359 k = 0.4917 0.3031 0.3012 ( 1072 PWs) bands (ev): -34.3863 -34.3863 4.6266 4.6271 6.2625 6.2649 9.6069 9.6136 10.5393 10.5458 11.8678 11.9124 12.6249 12.6606 13.4715 13.4715 18.7120 18.7195 19.2357 19.2359 k = 0.4875 0.3103 0.3012 ( 1076 PWs) bands (ev): -34.3862 -34.3862 4.6400 4.6408 6.2663 6.2699 9.6027 9.6128 10.5184 10.5276 11.8285 11.8916 12.5719 12.6193 13.5696 13.5723 18.7033 18.7146 19.2355 19.2357 k = 0.4833 0.3175 0.3012 ( 1076 PWs) bands (ev): -34.3861 -34.3861 4.6589 4.6599 6.2718 6.2766 9.5971 9.6109 10.4911 10.5022 11.7744 11.8505 12.5295 12.5830 13.6852 13.6914 18.6919 18.7070 19.2353 19.2356 k = 0.4792 0.3248 0.3012 ( 1080 PWs) bands (ev): -34.3861 -34.3861 4.6831 4.6844 6.2791 6.2851 9.5899 9.6075 10.4583 10.4707 11.7042 11.7867 12.5061 12.5594 13.8117 13.8218 18.6778 18.6968 19.2350 19.2353 k = 0.4750 0.3320 0.3012 ( 1080 PWs) bands (ev): -34.3860 -34.3860 4.7126 4.7141 6.2880 6.2954 9.5808 9.6025 10.4212 10.4340 11.6188 11.7020 12.5029 12.5509 13.9455 13.9593 18.6611 18.6838 19.2347 19.2350 k = 0.4708 0.3392 0.3012 ( 1080 PWs) bands (ev): -34.3858 -34.3858 4.7474 4.7491 6.2988 6.3074 9.5694 9.5954 10.3810 10.3933 11.5207 11.6011 12.5168 12.5568 14.0842 14.1016 18.6417 18.6683 19.2342 19.2347 k = 0.4667 0.3464 0.3012 ( 1078 PWs) bands (ev): -34.3857 -34.3857 4.7874 4.7894 6.3112 6.3211 9.5550 9.5857 10.3387 10.3500 11.4130 11.4890 12.5436 12.5748 14.2264 14.2473 18.6197 18.6502 19.2337 19.2343 k = 0.4625 0.3536 0.3012 ( 1078 PWs) bands (ev): -34.3855 -34.3855 4.8324 4.8347 6.3253 6.3366 9.5371 9.5727 10.2958 10.3054 11.2982 11.3697 12.5798 12.6026 14.3712 14.3955 18.5952 18.6295 19.2330 19.2337 k = 0.4583 0.3608 0.3012 ( 1078 PWs) bands (ev): -34.3853 -34.3853 4.8826 4.8850 6.3411 6.3539 9.5150 9.5556 10.2534 10.2610 11.1786 11.2459 12.6227 12.6380 14.5179 14.5454 18.5681 18.6064 19.2317 19.2328 k = 0.4542 0.3681 0.3012 ( 1086 PWs) bands (ev): -34.3851 -34.3851 4.9376 4.9402 6.3585 6.3729 9.4880 9.5337 10.2125 10.2180 11.0559 11.1197 12.6708 12.6795 14.6661 14.6966 18.5385 18.5809 19.2284 19.2309 k = 0.4500 0.3753 0.3012 ( 1078 PWs) bands (ev): -34.3849 -34.3849 4.9975 5.0003 6.3776 6.3936 9.4555 9.5061 10.1742 10.1780 10.9312 10.9924 12.7226 12.7257 14.8154 14.8489 18.5064 18.5530 19.2101 19.2243 k = 0.4458 0.3825 0.3012 ( 1074 PWs) bands (ev): -34.3847 -34.3847 5.0621 5.0650 6.3983 6.4160 9.4172 9.4720 10.1389 10.1420 10.8056 10.8651 12.7757 12.7773 14.9655 15.0019 18.4720 18.5229 19.1502 19.1853 k = 0.4417 0.3897 0.3012 ( 1074 PWs) bands (ev): -34.3845 -34.3845 5.1312 5.1342 6.4207 6.4402 9.3728 9.4312 10.1068 10.1106 10.6798 10.7390 12.8288 12.8343 15.1162 15.1554 18.4352 18.4906 19.0764 19.1163 k = 0.4375 0.3969 0.3012 ( 1074 PWs) bands (ev): -34.3842 -34.3842 5.2046 5.2077 6.4446 6.4661 9.3224 9.3836 10.0773 10.0842 10.5545 10.6151 12.8842 12.8930 15.2672 15.3093 18.3959 18.4563 18.9978 19.0400 k = 0.4333 0.4041 0.3012 ( 1070 PWs) bands (ev): -34.3840 -34.3840 5.2824 5.2855 6.4701 6.4936 9.2666 9.3295 10.0489 10.0624 10.4304 10.4952 12.9417 12.9532 15.4186 15.4635 18.3544 18.4199 18.9159 18.9597 k = 0.4292 0.4114 0.3012 ( 1070 PWs) bands (ev): -34.3837 -34.3837 5.3641 5.3672 6.4971 6.5229 9.2058 9.2697 10.0186 10.0438 10.3087 10.3825 13.0008 13.0145 15.5700 15.6177 18.3104 18.3815 18.8317 18.8763 k = 0.4250 0.4186 0.3012 ( 1074 PWs) bands (ev): -34.3834 -34.3834 5.4497 5.4526 6.5256 6.5539 9.1407 9.2049 9.9803 10.0249 10.1927 10.2826 13.0612 13.0766 15.7214 15.7720 18.2638 18.3413 18.7460 18.7907 k = 0.4208 0.4258 0.3012 ( 1070 PWs) bands (ev): -34.3832 -34.3832 5.5388 5.5416 6.5555 6.5866 9.0721 9.1360 9.9253 9.9900 10.0979 10.2040 13.1226 13.1393 15.8726 15.9262 18.2147 18.2992 18.6597 18.7036 k = 0.4167 0.4330 0.3012 ( 1066 PWs) bands (ev): -34.3829 -34.3829 5.6313 5.6338 6.5869 6.6210 9.0006 9.0638 9.8478 9.9072 10.0555 10.1522 13.1849 13.2025 16.0235 16.0802 18.1626 18.2551 18.5737 18.6160 k = 0.4125 0.4402 0.3012 ( 1066 PWs) bands (ev): -34.3826 -34.3826 5.7269 5.7290 6.6197 6.6571 8.9268 8.9892 9.7523 9.7985 10.0433 10.1223 13.2477 13.2659 16.1740 16.2339 18.1074 18.2089 18.4892 18.5287 k = 0.4083 0.4474 0.3012 ( 1070 PWs) bands (ev): -34.3823 -34.3823 5.8252 5.8267 6.6538 6.6949 8.8514 8.9126 9.6471 9.6853 10.0395 10.1058 13.3109 13.3294 16.3238 16.3871 18.0487 18.1601 18.4071 18.4431 k = 0.4042 0.4547 0.3012 ( 1070 PWs) bands (ev): -34.3820 -34.3820 5.9260 5.9266 6.6893 6.7346 8.7747 8.8347 9.5376 9.5723 10.0392 10.0969 13.3742 13.3928 16.4728 16.5397 17.9863 18.1082 18.3288 18.3608 k = 0.4000 0.4619 0.3012 ( 1074 PWs) bands (ev): -34.3818 -34.3817 6.0284 6.0289 6.7259 6.7761 8.6974 8.7559 9.4268 9.4607 10.0411 10.0927 13.4375 13.4558 16.6206 16.6915 17.9201 18.0522 18.2549 18.2836 k = 0.3958 0.4691 0.3012 ( 1074 PWs) bands (ev): -34.3815 -34.3815 6.1314 6.1334 6.7638 6.8194 8.6197 8.6767 9.3161 9.3513 10.0443 10.0915 13.5004 13.5183 16.7667 16.8420 17.8507 17.9914 18.1863 18.2137 k = 0.3917 0.4763 0.3012 ( 1066 PWs) bands (ev): -34.3812 -34.3812 6.2352 6.2391 6.8027 6.8648 8.5421 8.5974 9.2064 9.2443 10.0485 10.0922 13.5627 13.5799 16.9103 16.9906 17.7793 17.9260 18.1231 18.1525 k = 0.3875 0.4835 0.3012 ( 1064 PWs) bands (ev): -34.3809 -34.3809 6.3390 6.3455 6.8428 6.9123 8.4650 8.5184 9.0981 9.1401 10.0533 10.0943 13.6241 13.6404 17.0500 17.1356 17.7084 17.8574 18.0651 18.1005 k = 0.3833 0.4907 0.3012 ( 1064 PWs) bands (ev): -34.3807 -34.3807 6.4422 6.4520 6.8838 6.9622 8.3886 8.4400 8.9917 9.0390 10.0586 10.0974 13.6843 13.6995 17.1833 17.2719 17.6440 17.7888 18.0122 18.0583 k = 0.3792 0.4980 0.3012 ( 1064 PWs) bands (ev): -34.3804 -34.3804 6.5437 6.5579 6.9259 7.0147 8.3134 8.3623 8.8873 8.9413 10.0641 10.1010 13.7428 13.7568 17.3043 17.3779 17.6088 17.7252 17.9642 18.0274 k = 0.3750 0.5052 0.3012 ( 1064 PWs) bands (ev): -34.3802 -34.3802 6.6426 6.6622 6.9691 7.0701 8.2397 8.2858 8.7853 8.8474 10.0697 10.1051 13.7993 13.8119 17.3965 17.3987 17.6603 17.6775 17.9212 18.0119 k = 0.3708 0.5124 0.3012 ( 1064 PWs) bands (ev): -34.3800 -34.3800 6.7377 6.7638 7.0136 7.1286 8.1682 8.2107 8.6857 8.7576 10.0752 10.1093 13.8532 13.8643 17.3506 17.4382 17.6661 17.7735 17.8859 18.0206 k = 0.3667 0.5196 0.3012 ( 1060 PWs) bands (ev): -34.3798 -34.3798 6.8277 6.8607 7.0601 7.1904 8.0994 8.1372 8.5888 8.6726 10.0806 10.1136 13.9040 13.9135 17.2910 17.4184 17.6854 17.8332 17.9231 18.0642 k = 0.3625 0.5268 0.3012 ( 1064 PWs) bands (ev): -34.3796 -34.3796 6.9116 6.9502 7.1101 7.2551 8.0344 8.0657 8.4948 8.5931 10.0856 10.1178 13.9512 13.9590 17.2310 17.3744 17.6999 17.8086 18.0505 18.1434 k = 0.3583 0.5340 0.3012 ( 1060 PWs) bands (ev): -34.3794 -34.3794 6.9884 7.0279 7.1661 7.3215 7.9746 7.9967 8.4038 8.5199 10.0903 10.1217 13.9940 14.0001 17.1748 17.3263 17.7019 17.7833 18.1799 18.2459 k = 0.3542 0.5413 0.3012 ( 1060 PWs) bands (ev): -34.3793 -34.3793 7.0576 7.0904 7.2296 7.3867 7.9227 7.9307 8.3162 8.4541 10.0945 10.1253 14.0318 14.0364 17.1245 17.2810 17.6973 17.7619 18.3038 18.3584 k = 0.3500 0.5485 0.3012 ( 1060 PWs) bands (ev): -34.3792 -34.3792 7.1187 7.1383 7.2971 7.4461 7.8686 7.8831 8.2322 8.3971 10.0981 10.1284 14.0640 14.0671 17.0815 17.2416 17.6907 17.7450 18.4179 18.4715 k = 0.3458 0.5557 0.3012 ( 1056 PWs) bands (ev): -34.3791 -34.3791 7.1709 7.1744 7.3622 7.4925 7.8119 7.8627 8.1525 8.3506 10.1010 10.1310 14.0899 14.0917 17.0467 17.2095 17.6849 17.7328 18.5173 18.5772 k = 0.3417 0.5629 0.3012 ( 1060 PWs) bands (ev): -34.3790 -34.3790 7.2005 7.2121 7.4181 7.5196 7.7636 7.8685 8.0779 8.3162 10.1032 10.1329 14.1088 14.1097 17.0211 17.1859 17.6810 17.7250 18.5957 18.6664 k = 0.3375 0.5701 0.3012 ( 1060 PWs) bands (ev): -34.3789 -34.3789 7.2164 7.2392 7.4573 7.5291 7.7293 7.9002 8.0098 8.2952 10.1046 10.1342 14.1205 14.1207 17.0054 17.1714 17.6793 17.7213 18.6459 18.7274 k = 0.3333 0.5774 0.3012 ( 1056 PWs) bands (ev): -34.3789 -34.3789 7.2218 7.2487 7.4714 7.5304 7.7167 7.9428 7.9565 8.2883 10.1050 10.1346 14.1244 14.1244 17.0000 17.1665 17.6790 17.7204 18.6629 18.7491 k = 0.3333 0.5774 0.3012 ( 1056 PWs) bands (ev): -34.3789 -34.3789 7.2218 7.2487 7.4714 7.5304 7.7167 7.9428 7.9565 8.2883 10.1050 10.1346 14.1244 14.1244 17.0000 17.1665 17.6790 17.7204 18.6629 18.7491 k = 0.3292 0.5701 0.3012 ( 1060 PWs) bands (ev): -34.3789 -34.3789 7.2165 7.2397 7.4590 7.5295 7.7277 7.9016 8.0073 8.2948 10.1045 10.1341 14.1204 14.1207 17.0054 17.1714 17.6785 17.7204 18.6474 18.7292 k = 0.3250 0.5629 0.3012 ( 1060 PWs) bands (ev): -34.3790 -34.3790 7.2012 7.2157 7.4292 7.5236 7.7540 7.8711 8.0665 8.3126 10.1030 10.1327 14.1087 14.1096 17.0215 17.1859 17.6748 17.7180 18.6078 18.6800 k = 0.3208 0.5557 0.3012 ( 1056 PWs) bands (ev): -34.3791 -34.3791 7.1774 7.1819 7.3912 7.5068 7.7870 7.8608 8.1249 8.3392 10.1003 10.1303 14.0893 14.0913 17.0482 17.2096 17.6631 17.7078 18.5576 18.6202 k = 0.3167 0.5485 0.3012 ( 1054 PWs) bands (ev): -34.3792 -34.3792 7.1425 7.1472 7.3498 7.4775 7.8224 7.8694 8.1806 8.3717 10.0965 10.1267 14.0626 14.0660 17.0850 17.2409 17.6380 17.6826 18.5124 18.5679 k = 0.3125 0.5413 0.3012 ( 1054 PWs) bands (ev): -34.3793 -34.3793 7.1003 7.1125 7.3071 7.4390 7.8581 7.8916 8.2327 8.4077 10.0913 10.1220 14.0293 14.0344 17.1310 17.2769 17.5959 17.6355 18.4860 18.5367 k = 0.3083 0.5340 0.3012 ( 1058 PWs) bands (ev): -34.3795 -34.3795 7.0571 7.0751 7.2642 7.3953 7.8926 7.9213 8.2811 8.4455 10.0849 10.1160 13.9897 13.9969 17.1844 17.3069 17.5433 17.5637 18.4871 18.5344 k = 0.3042 0.5268 0.3012 ( 1058 PWs) bands (ev): -34.3797 -34.3797 7.0140 7.0363 7.2220 7.3497 7.9247 7.9540 8.3259 8.4842 10.0770 10.1088 13.9447 13.9541 17.2386 17.2973 17.4745 17.5148 18.5171 18.5620 k = 0.3000 0.5196 0.3012 ( 1058 PWs) bands (ev): -34.3800 -34.3800 6.9716 6.9970 7.1808 7.3039 7.9533 7.9862 8.3678 8.5232 10.0677 10.1001 13.8949 13.9066 17.2180 17.2540 17.4118 17.5443 18.5730 18.6167 k = 0.2958 0.5124 0.3012 ( 1062 PWs) bands (ev): -34.3803 -34.3803 6.9303 6.9581 7.1410 7.2591 7.9772 8.0153 8.4078 8.5625 10.0569 10.0901 13.8410 13.8550 17.0971 17.1607 17.4503 17.6080 18.6504 18.6942 k = 0.2917 0.5052 0.3012 ( 1066 PWs) bands (ev): -34.3806 -34.3806 6.8905 6.9200 7.1030 7.2159 7.9952 8.0390 8.4472 8.6024 10.0446 10.0787 13.7834 13.7998 16.9565 17.0216 17.5308 17.6876 18.7455 18.7905 k = 0.2875 0.4980 0.3012 ( 1066 PWs) bands (ev): -34.3810 -34.3810 6.8524 6.8831 7.0669 7.1749 8.0064 8.0555 8.4871 8.6433 10.0308 10.0659 13.7230 13.7417 16.8046 16.8679 17.6246 17.7770 18.8550 18.9018 k = 0.2833 0.4907 0.3012 ( 1068 PWs) bands (ev): -34.3815 -34.3815 6.8162 6.8478 7.0329 7.1362 8.0100 8.0634 8.5286 8.6855 10.0155 10.0518 13.6601 13.6811 16.6451 16.7059 17.7269 17.8743 18.9749 19.0225 k = 0.2792 0.4835 0.3012 ( 1064 PWs) bands (ev): -34.3819 -34.3819 6.7820 6.8142 7.0011 7.1001 8.0055 8.0619 8.5721 8.7293 9.9989 10.0365 13.5952 13.6185 16.4800 16.5383 17.8359 17.9783 19.0955 19.1351 k = 0.2750 0.4763 0.3012 ( 1066 PWs) bands (ev): -34.3824 -34.3824 6.7499 6.7826 6.9717 7.0665 7.9926 8.0508 8.6176 8.7747 9.9811 10.0200 13.5288 13.5543 16.3107 16.3665 17.9509 18.0883 19.1796 19.1938 k = 0.2708 0.4691 0.3012 ( 1066 PWs) bands (ev): -34.3830 -34.3830 6.7199 6.7531 6.9447 7.0357 7.9713 8.0304 8.6650 8.8215 9.9621 10.0025 13.4612 13.4888 16.1381 16.1912 18.0713 18.2038 19.2070 19.2108 k = 0.2667 0.4619 0.3012 ( 1066 PWs) bands (ev): -34.3836 -34.3836 6.6922 6.7257 6.9202 7.0077 7.9418 8.0012 8.7136 8.8693 9.9423 9.9844 13.3927 13.4223 15.9627 16.0133 18.1967 18.3243 19.2156 19.2171 k = 0.2625 0.4547 0.3012 ( 1070 PWs) bands (ev): -34.3842 -34.3842 6.6667 6.7006 6.8982 6.9825 7.9046 7.9637 8.7628 8.9179 9.9220 9.9658 13.3237 13.3551 15.7851 15.8330 18.3267 18.4496 19.2195 19.2202 k = 0.2583 0.4474 0.3012 ( 1074 PWs) bands (ev): -34.3849 -34.3849 6.6434 6.6779 6.8787 6.9600 7.8599 7.9187 8.8118 8.9663 9.9016 9.9473 13.2543 13.2874 15.6057 15.6509 18.4610 18.5794 19.2216 19.2220 k = 0.2542 0.4402 0.3012 ( 1074 PWs) bands (ev): -34.3856 -34.3856 6.6224 6.6576 6.8617 6.9403 7.8083 7.8667 8.8598 9.0140 9.8817 9.9292 13.1847 13.2195 15.4248 15.4672 18.5993 18.7133 19.2230 19.2232 k = 0.2500 0.4330 0.3012 ( 1074 PWs) bands (ev): -34.3863 -34.3863 6.6037 6.6397 6.8472 6.9235 7.7503 7.8082 8.9061 9.0601 9.8631 9.9122 13.1152 13.1514 15.2428 15.2824 18.7414 18.8512 19.2240 19.2241 k = 0.2458 0.4258 0.3012 ( 1070 PWs) bands (ev): -34.3871 -34.3871 6.5872 6.6243 6.8352 6.9093 7.6863 7.7439 8.9498 9.1033 9.8467 9.8969 13.0458 13.0833 15.0599 15.0966 18.8871 18.9928 19.2247 19.2248 k = 0.2417 0.4186 0.3012 ( 1070 PWs) bands (ev): -34.3880 -34.3880 6.5729 6.6115 6.8257 6.8980 7.6168 7.6744 8.9899 9.1423 9.8337 9.8843 12.9767 13.0153 14.8765 14.9102 19.0361 19.1378 19.2254 19.2255 k = 0.2375 0.4114 0.3012 ( 1062 PWs) bands (ev): -34.3888 -34.3888 6.5608 6.6011 6.8184 6.8893 7.5422 7.6001 9.0252 9.1756 9.8256 9.8753 12.9079 12.9474 14.6930 14.7235 19.1868 19.2250 19.2275 19.2873 k = 0.2333 0.4041 0.3012 ( 1062 PWs) bands (ev): -34.3898 -34.3898 6.5505 6.5933 6.8135 6.8833 7.4632 7.5215 9.0548 9.2016 9.8240 9.8708 12.8395 12.8796 14.5097 14.5368 19.2252 19.2257 19.3450 19.4387 k = 0.2292 0.3969 0.3012 ( 1058 PWs) bands (ev): -34.3907 -34.3907 6.5421 6.5880 6.8106 6.8799 7.3801 7.4393 9.0776 9.2188 9.8301 9.8719 12.7714 12.8119 14.3270 14.3506 19.2258 19.2261 19.5029 19.5934 k = 0.2250 0.3897 0.3012 ( 1058 PWs) bands (ev): -34.3917 -34.3917 6.5352 6.5852 6.8095 6.8791 7.2936 7.3541 9.0930 9.2264 9.8448 9.8793 12.7037 12.7442 14.1455 14.1651 19.2261 19.2263 19.6640 19.7510 k = 0.2208 0.3825 0.3012 ( 1062 PWs) bands (ev): -34.3927 -34.3927 6.5294 6.5849 6.8096 6.8807 7.2046 7.2666 9.1003 9.2245 9.8680 9.8933 12.6363 12.6763 13.9655 13.9809 19.2263 19.2264 19.8277 19.9113 k = 0.2167 0.3753 0.3012 ( 1064 PWs) bands (ev): -34.3938 -34.3938 6.5240 6.5870 6.8097 6.8847 7.1146 7.1780 9.0999 9.2139 9.8988 9.9140 12.5690 12.6079 13.7878 13.7984 19.2265 19.2266 19.9939 20.0742 k = 0.2125 0.3681 0.3012 ( 1068 PWs) bands (ev): -34.3949 -34.3949 6.5178 6.5916 6.8062 6.8909 7.0275 7.0898 9.0920 9.1958 9.9360 9.9407 12.5016 12.5386 13.6131 13.6181 19.2266 19.2266 20.1625 20.2394 k = 0.2083 0.3608 0.3012 ( 1072 PWs) bands (ev): -34.3960 -34.3960 6.5089 6.5985 6.7885 6.8984 6.9542 7.0049 9.0775 9.1716 9.9727 9.9781 12.4336 12.4678 13.4409 13.4423 19.2266 19.2267 20.3332 20.4068 k = 0.2042 0.3536 0.3012 ( 1072 PWs) bands (ev): -34.3971 -34.3971 6.4939 6.6073 6.7369 6.8979 6.9148 6.9364 9.0574 9.1426 10.0092 10.0240 12.3646 12.3946 13.2676 13.2766 19.2267 19.2268 20.5060 20.5763 k = 0.2000 0.3464 0.3012 ( 1072 PWs) bands (ev): -34.3983 -34.3983 6.4674 6.6145 6.6571 6.8476 6.9076 6.9315 9.0324 9.1099 10.0492 10.0724 12.2937 12.3179 13.0993 13.1176 19.2268 19.2269 20.6806 20.7474 k = 0.1958 0.3392 0.3012 ( 1076 PWs) bands (ev): -34.3995 -34.3995 6.4235 6.5489 6.6379 6.7983 6.9150 6.9453 9.0036 9.0743 10.0919 10.1226 12.2197 12.2360 12.9376 12.9670 19.2269 19.2269 20.8568 20.9201 k = 0.1917 0.3320 0.3012 ( 1076 PWs) bands (ev): -34.4008 -34.4008 6.3593 6.4450 6.6528 6.7684 6.9290 6.9627 8.9716 9.0364 10.1366 10.1738 12.1408 12.1472 12.7845 12.8269 19.2269 19.2269 21.0344 21.0940 k = 0.1875 0.3248 0.3012 ( 1072 PWs) bands (ev): -34.4020 -34.4020 6.2777 6.3363 6.6711 6.7562 6.9470 6.9825 8.9371 8.9968 10.1825 10.2256 12.0498 12.0549 12.6424 12.6995 19.2270 19.2270 21.2130 21.2688 k = 0.1833 0.3175 0.3012 ( 1070 PWs) bands (ev): -34.4033 -34.4033 6.1839 6.2250 6.6917 6.7567 6.9679 7.0043 8.9005 8.9559 10.2293 10.2775 11.9426 11.9598 12.5140 12.5860 19.2271 19.2271 21.3923 21.4440 k = 0.1792 0.3103 0.3012 ( 1074 PWs) bands (ev): -34.4046 -34.4046 6.0823 6.1118 6.7145 6.7659 6.9912 7.0281 8.8623 8.9141 10.2765 10.3290 11.8257 11.8541 12.4010 12.4866 19.2271 19.2271 21.5718 21.6190 k = 0.1750 0.3031 0.3012 ( 1078 PWs) bands (ev): -34.4059 -34.4059 5.9757 5.9973 6.7393 6.7812 7.0166 7.0537 8.8230 8.8715 10.3237 10.3798 11.7006 11.7378 12.3036 12.4002 19.2271 19.2271 21.7509 21.7931 k = 0.1708 0.2959 0.3012 ( 1084 PWs) bands (ev): -34.4072 -34.4072 5.8657 5.8818 6.7660 6.8009 7.0438 7.0810 8.7827 8.8284 10.3707 10.4295 11.5694 11.6132 12.2202 12.3248 19.2270 19.2271 21.9289 21.9656 k = 0.1667 0.2887 0.3012 ( 1084 PWs) bands (ev): -34.4086 -34.4086 5.7534 5.7655 6.7946 6.8242 7.0728 7.1099 8.7418 8.7851 10.4172 10.4776 11.4344 11.4832 12.1481 12.2585 19.2271 19.2271 22.1047 22.1350 k = 0.1625 0.2815 0.3012 ( 1084 PWs) bands (ev): -34.4099 -34.4099 5.6396 5.6488 6.8249 6.8504 7.1032 7.1403 8.7005 8.7417 10.4628 10.5233 11.2976 11.3512 12.0849 12.1995 19.2271 19.2271 22.2770 22.3000 k = 0.1583 0.2742 0.3012 ( 1084 PWs) bands (ev): -34.4113 -34.4113 5.5248 5.5318 6.8568 6.8790 7.1351 7.1720 8.6589 8.6984 10.5073 10.5654 11.1608 11.2205 12.0287 12.1463 19.2271 19.2271 22.4439 22.4584 k = 0.1542 0.2670 0.3012 ( 1092 PWs) bands (ev): -34.4126 -34.4126 5.4095 5.4148 6.8903 6.9097 7.1682 7.2049 8.6174 8.6553 10.5501 10.6008 11.0255 11.0954 11.9780 12.0981 19.2271 19.2271 22.6029 22.6077 k = 0.1500 0.2598 0.3012 ( 1092 PWs) bands (ev): -34.4140 -34.4140 5.2940 5.2980 6.9252 6.9423 7.2024 7.2390 8.5759 8.6125 10.5899 10.6227 10.8938 10.9840 11.9319 12.0540 19.2271 19.2271 22.7446 22.7509 k = 0.1458 0.2526 0.3012 ( 1092 PWs) bands (ev): -34.4153 -34.4153 5.1785 5.1815 6.9613 6.9765 7.2375 7.2740 8.5347 8.5702 10.6138 10.6200 10.7730 10.9042 11.8897 12.0136 19.2271 19.2271 22.8653 22.8838 k = 0.1417 0.2454 0.3012 ( 1096 PWs) bands (ev): -34.4167 -34.4167 5.0634 5.0656 6.9986 7.0121 7.2734 7.3098 8.4940 8.5284 10.5559 10.5899 10.7140 10.8747 11.8511 11.9765 19.2271 19.2271 22.9664 22.9973 k = 0.1375 0.2382 0.3012 ( 1096 PWs) bands (ev): -34.4181 -34.4181 4.9490 4.9506 7.0370 7.0490 7.3100 7.3462 8.4538 8.4874 10.4618 10.4821 10.7346 10.8831 11.8157 11.9424 19.2271 19.2271 23.0451 23.0871 k = 0.1333 0.2309 0.3012 ( 1096 PWs) bands (ev): -34.4194 -34.4194 4.8353 4.8365 7.0761 7.0868 7.3470 7.3831 8.4143 8.4472 10.3536 10.3636 10.7680 10.9073 11.7835 11.9111 19.2271 19.2271 23.1002 23.1509 k = 0.1292 0.2237 0.3012 ( 1096 PWs) bands (ev): -34.4207 -34.4207 4.7228 4.7235 7.1160 7.1255 7.3843 7.4203 8.3756 8.4080 10.2421 10.2463 10.8026 10.9368 11.7543 11.8826 19.2271 19.2271 23.1325 23.1886 k = 0.1250 0.2165 0.3012 ( 1092 PWs) bands (ev): -34.4221 -34.4221 4.6115 4.6120 7.1564 7.1649 7.4216 7.4576 8.3379 8.3699 10.1312 10.1322 10.8366 10.9677 11.7282 11.8566 19.2272 19.2272 23.1442 23.2025 k = 0.1208 0.2093 0.3012 ( 1088 PWs) bands (ev): -34.4234 -34.4234 4.5017 4.5020 7.1972 7.2047 7.4588 7.4947 8.3014 8.3331 10.0218 10.0228 10.8693 10.9982 11.7051 11.8332 19.2272 19.2272 23.1385 23.1961 k = 0.1167 0.2021 0.3012 ( 1088 PWs) bands (ev): -34.4247 -34.4247 4.3936 4.3938 7.2382 7.2448 7.4955 7.5314 8.2663 8.2977 9.9157 9.9178 10.9005 11.0273 11.6851 11.8122 19.2272 19.2272 23.1183 23.1735 k = 0.1125 0.1949 0.3012 ( 1088 PWs) bands (ev): -34.4260 -34.4260 4.2874 4.2875 7.2791 7.2849 7.5315 7.5673 8.2327 8.2640 9.8140 9.8167 10.9300 11.0544 11.6684 11.7937 19.2272 19.2272 23.0866 23.1380 k = 0.1083 0.1876 0.3012 ( 1088 PWs) bands (ev): -34.4272 -34.4272 4.1832 4.1833 7.3197 7.3249 7.5663 7.6021 8.2010 8.2322 9.7168 9.7198 10.9579 11.0793 11.6549 11.7775 19.2272 19.2272 23.0456 23.0928 k = 0.1042 0.1804 0.3012 ( 1088 PWs) bands (ev): -34.4284 -34.4284 4.0813 4.0815 7.3599 7.3645 7.5996 7.6353 8.1715 8.2027 9.6244 9.6275 10.9841 11.1017 11.6447 11.7637 19.2273 19.2273 22.9974 23.0400 k = 0.1000 0.1732 0.3012 ( 1088 PWs) bands (ev): -34.4297 -34.4297 3.9819 3.9821 7.3994 7.4034 7.6310 7.6663 8.1448 8.1758 9.5369 9.5399 11.0085 11.1213 11.6379 11.7521 19.2273 19.2273 22.9435 22.9816 k = 0.0958 0.1660 0.3012 ( 1092 PWs) bands (ev): -34.4308 -34.4308 3.8851 3.8853 7.4379 7.4415 7.6596 7.6944 8.1215 8.1521 9.4543 9.4572 11.0311 11.1381 11.6343 11.7428 19.2272 19.2272 22.8854 22.9191 k = 0.0917 0.1588 0.3012 ( 1092 PWs) bands (ev): -34.4320 -34.4320 3.7912 3.7914 7.4752 7.4784 7.6850 7.7186 8.1024 8.1322 9.3768 9.3795 11.0519 11.1523 11.6338 11.7355 19.2272 19.2272 22.8241 22.8537 k = 0.0875 0.1516 0.3012 ( 1096 PWs) bands (ev): -34.4331 -34.4331 3.7002 3.7004 7.5110 7.5139 7.7062 7.7381 8.0884 8.1167 9.3045 9.3070 11.0710 11.1638 11.6362 11.7302 19.2272 19.2272 22.7607 22.7864 k = 0.0833 0.1443 0.3012 ( 1092 PWs) bands (ev): -34.4342 -34.4342 3.6123 3.6125 7.5450 7.5477 7.7227 7.7517 8.0804 8.1064 9.2375 9.2398 11.0885 11.1731 11.6412 11.7268 19.2272 19.2272 22.6958 22.7181 k = 0.0792 0.1371 0.3012 ( 1084 PWs) bands (ev): -34.4352 -34.4352 3.5277 3.5279 7.5768 7.5796 7.7338 7.7590 8.0789 8.1017 9.1758 9.1779 11.1044 11.1804 11.6483 11.7252 19.2273 19.2273 22.6304 22.6495 k = 0.0750 0.1299 0.3012 ( 1084 PWs) bands (ev): -34.4362 -34.4362 3.4466 3.4468 7.6062 7.6092 7.7397 7.7603 8.0835 8.1025 9.1196 9.1214 11.1187 11.1860 11.6571 11.7251 19.2273 19.2273 22.5650 22.5812 k = 0.0708 0.1227 0.3012 ( 1088 PWs) bands (ev): -34.4371 -34.4371 3.3690 3.3692 7.6326 7.6361 7.7408 7.7564 8.0934 8.1085 9.0688 9.0704 11.1316 11.1903 11.6672 11.7265 19.2273 19.2273 22.5002 22.5139 k = 0.0667 0.1155 0.3012 ( 1088 PWs) bands (ev): -34.4381 -34.4381 3.2951 3.2953 7.6554 7.6600 7.7386 7.7489 8.1072 8.1187 9.0234 9.0249 11.1433 11.1936 11.6782 11.7290 19.2273 19.2273 22.4365 22.4479 k = 0.0625 0.1083 0.3012 ( 1088 PWs) bands (ev): -34.4389 -34.4389 3.2251 3.2252 7.6733 7.6800 7.7352 7.7399 8.1236 8.1320 8.9835 8.9847 11.1537 11.1962 11.6897 11.7326 19.2273 19.2273 22.3745 22.3838 k = 0.0583 0.1010 0.3012 ( 1084 PWs) bands (ev): -34.4397 -34.4397 3.1590 3.1591 7.6836 7.6935 7.7329 7.7342 8.1414 8.1473 8.9489 8.9499 11.1630 11.1982 11.7015 11.7371 19.2274 19.2274 22.3144 22.3220 k = 0.0542 0.0938 0.3012 ( 1080 PWs) bands (ev): -34.4405 -34.4405 3.0970 3.0971 7.6844 7.6948 7.7342 7.7385 8.1597 8.1638 8.9193 8.9202 11.1712 11.2000 11.7132 11.7422 19.2274 19.2274 22.2568 22.2629 k = 0.0500 0.0866 0.3012 ( 1080 PWs) bands (ev): -34.4412 -34.4412 3.0392 3.0392 7.6780 7.6862 7.7425 7.7462 8.1780 8.1807 8.8945 8.8953 11.1786 11.2015 11.7247 11.7478 19.2274 19.2274 22.2020 22.2068 k = 0.0458 0.0794 0.3012 ( 1080 PWs) bands (ev): -34.4419 -34.4419 2.9856 2.9856 7.6686 7.6745 7.7514 7.7541 8.1958 8.1975 8.8742 8.8748 11.1851 11.2030 11.7356 11.7537 19.2274 19.2274 22.1503 22.1540 k = 0.0417 0.0722 0.3012 ( 1076 PWs) bands (ev): -34.4425 -34.4425 2.9363 2.9364 7.6581 7.6622 7.7589 7.7608 8.2127 8.2138 8.8579 8.8584 11.1908 11.2044 11.7460 11.7597 19.2275 19.2275 22.1021 22.1048 k = 0.0375 0.0650 0.3012 ( 1076 PWs) bands (ev): -34.4431 -34.4431 2.8915 2.8916 7.6475 7.6504 7.7645 7.7659 8.2285 8.2292 8.8452 8.8456 11.1958 11.2058 11.7556 11.7657 19.2275 19.2275 22.0575 22.0596 k = 0.0333 0.0577 0.3012 ( 1068 PWs) bands (ev): -34.4436 -34.4436 2.8513 2.8513 7.6373 7.6392 7.7685 7.7695 8.2431 8.2434 8.8356 8.8358 11.2001 11.2072 11.7644 11.7715 19.2275 19.2275 22.0170 22.0184 k = 0.0292 0.0505 0.3012 ( 1068 PWs) bands (ev): -34.4440 -34.4440 2.8156 2.8156 7.6278 7.6291 7.7711 7.7718 8.2562 8.2564 8.8284 8.8286 11.2038 11.2086 11.7722 11.7770 19.2275 19.2275 21.9806 21.9816 k = 0.0250 0.0433 0.3012 ( 1068 PWs) bands (ev): -34.4444 -34.4444 2.7845 2.7845 7.6193 7.6201 7.7725 7.7729 8.2678 8.2679 8.8234 8.8235 11.2069 11.2099 11.7790 11.7821 19.2275 19.2275 21.9487 21.9493 k = 0.0208 0.0361 0.3012 ( 1074 PWs) bands (ev): -34.4447 -34.4447 2.7581 2.7581 7.6119 7.6124 7.7731 7.7734 8.2778 8.2778 8.8199 8.8200 11.2094 11.2112 11.7848 11.7866 19.2275 19.2275 21.9214 21.9217 k = 0.0167 0.0289 0.3012 ( 1074 PWs) bands (ev): -34.4450 -34.4450 2.7365 2.7365 7.6057 7.6059 7.7732 7.7733 8.2860 8.2861 8.8177 8.8177 11.2114 11.2123 11.7896 11.7905 19.2275 19.2275 21.8988 21.8990 k = 0.0125 0.0217 0.3012 ( 1074 PWs) bands (ev): -34.4452 -34.4452 2.7196 2.7196 7.6008 7.6009 7.7730 7.7730 8.2925 8.2925 8.8163 8.8163 11.2129 11.2133 11.7932 11.7936 19.2275 19.2275 21.8811 21.8811 k = 0.0083 0.0144 0.3012 ( 1074 PWs) bands (ev): -34.4454 -34.4454 2.7076 2.7076 7.5973 7.5973 7.7727 7.7727 8.2972 8.2972 8.8154 8.8155 11.2139 11.2140 11.7958 11.7960 19.2275 19.2275 21.8683 21.8684 k = 0.0042 0.0072 0.3012 ( 1074 PWs) bands (ev): -34.4455 -34.4455 2.7003 2.7003 7.5951 7.5951 7.7724 7.7724 8.3000 8.3000 8.8150 8.8150 11.2145 11.2145 11.7974 11.7974 19.2275 19.2275 21.8607 21.8607 k = 0.0000 0.0000 0.3012 ( 1074 PWs) bands (ev): -34.4455 -34.4455 2.6979 2.6979 7.5944 7.5944 7.7723 7.7723 8.3009 8.3009 8.8149 8.8149 11.2147 11.2147 11.7979 11.7979 19.2275 19.2275 21.8581 21.8581 k = 0.5000 0.2887 0.3012 ( 1080 PWs) bands (ev): -34.3863 -34.3863 4.6160 4.6160 6.2602 6.2602 9.6122 9.6122 10.5586 10.5586 11.9110 11.9110 12.6997 12.6997 13.3755 13.3755 18.7212 18.7212 19.2358 19.2358 k = 0.5000 0.2887 0.2929 ( 1080 PWs) bands (ev): -34.3863 -34.3863 4.6154 4.6164 6.2592 6.2617 9.6004 9.6170 10.5567 10.5582 11.8653 11.9640 12.6361 12.7698 13.3748 13.3763 18.7157 18.7266 19.2356 19.2360 k = 0.5000 0.2887 0.2845 ( 1070 PWs) bands (ev): -34.3863 -34.3863 4.6146 4.6168 6.2588 6.2636 9.5817 9.6148 10.5525 10.5554 11.8270 12.0235 12.5798 12.8460 13.3742 13.3774 18.7099 18.7318 19.2355 19.2363 k = 0.5000 0.2887 0.2761 ( 1070 PWs) bands (ev): -34.3863 -34.3863 4.6138 4.6170 6.2588 6.2661 9.5564 9.6057 10.5463 10.5507 11.7956 12.0873 12.5324 12.9283 13.3738 13.3786 18.7039 18.7368 19.2353 19.2365 k = 0.5000 0.2887 0.2678 ( 1070 PWs) bands (ev): -34.3863 -34.3863 4.6128 4.6170 6.2594 6.2691 9.5249 9.5897 10.5388 10.5445 11.7706 12.1503 12.4982 13.0163 13.3735 13.3801 18.6976 18.7416 19.2351 19.2368 k = 0.5000 0.2887 0.2594 ( 1074 PWs) bands (ev): -34.3863 -34.3863 4.6117 4.6169 6.2604 6.2725 9.4876 9.5674 10.5305 10.5373 11.7509 12.2017 12.4872 13.1098 13.3734 13.3820 18.6910 18.7461 19.2349 19.2369 k = 0.5000 0.2887 0.2510 ( 1078 PWs) bands (ev): -34.3863 -34.3863 4.6105 4.6167 6.2620 6.2764 9.4452 9.5389 10.5220 10.5298 11.7357 12.2261 12.5137 13.2082 13.3738 13.3843 18.6838 18.7502 19.2346 19.2370 k = 0.5000 0.2887 0.2427 ( 1078 PWs) bands (ev): -34.3863 -34.3863 4.6092 4.6163 6.2640 6.2807 9.3982 9.5049 10.5137 10.5223 11.7240 12.2214 12.5784 13.3091 13.3771 13.3874 18.6762 18.7537 19.2344 19.2372 k = 0.5000 0.2887 0.2343 ( 1074 PWs) bands (ev): -34.3863 -34.3863 4.6078 4.6158 6.2664 6.2853 9.3476 9.4658 10.5059 10.5153 11.7149 12.2006 12.6672 13.3650 13.3914 13.4301 18.6678 18.7564 19.2342 19.2373 k = 0.5000 0.2887 0.2259 ( 1072 PWs) bands (ev): -34.3863 -34.3863 4.6064 4.6151 6.2693 6.2904 9.2939 9.4224 10.4991 10.5090 11.7078 12.1733 12.7690 13.3687 13.3970 13.5398 18.6588 18.7581 19.2340 19.2373 k = 0.5000 0.2887 0.2176 ( 1076 PWs) bands (ev): -34.3863 -34.3863 4.6049 4.6144 6.2726 6.2958 9.2379 9.3754 10.4933 10.5035 11.7022 12.1439 12.8774 13.3693 13.4052 13.6567 18.6489 18.7586 19.2337 19.2371 k = 0.5000 0.2887 0.2092 ( 1076 PWs) bands (ev): -34.3863 -34.3862 4.6034 4.6135 6.2763 6.3014 9.1803 9.3253 10.4886 10.4990 11.6975 12.1141 12.9878 13.3695 13.4181 13.7776 18.6380 18.7576 19.2334 19.2369 k = 0.5000 0.2887 0.2008 ( 1076 PWs) bands (ev): -34.3863 -34.3862 4.6018 4.6126 6.2804 6.3073 9.1218 9.2729 10.4849 10.4954 11.6933 12.0848 13.0941 13.3695 13.4403 13.9018 18.6262 18.7547 19.2331 19.2365 k = 0.5000 0.2887 0.1925 ( 1072 PWs) bands (ev): -34.3863 -34.3862 4.6003 4.6115 6.2847 6.3134 9.0630 9.2187 10.4823 10.4927 11.6896 12.0562 13.1864 13.3695 13.4807 14.0288 18.6133 18.7497 19.2328 19.2360 k = 0.5000 0.2887 0.1841 ( 1074 PWs) bands (ev): -34.3863 -34.3862 4.5987 4.6104 6.2894 6.3197 9.0043 9.1634 10.4807 10.4908 11.6860 12.0286 13.2526 13.3694 13.5506 14.1580 18.5992 18.7422 19.2324 19.2353 k = 0.5000 0.2887 0.1757 ( 1076 PWs) bands (ev): -34.3863 -34.3862 4.5972 4.6092 6.2944 6.3260 8.9464 9.1075 10.4798 10.4896 11.6826 12.0019 13.2916 13.3693 13.6506 14.2889 18.5838 18.7318 19.2321 19.2344 k = 0.5000 0.2887 0.1674 ( 1076 PWs) bands (ev): -34.3863 -34.3862 4.5957 4.6079 6.2995 6.3325 8.8895 9.0515 10.4798 10.4892 11.6791 11.9762 13.3132 13.3692 13.7701 14.4210 18.5671 18.7184 19.2317 19.2335 k = 0.5000 0.2887 0.1590 ( 1076 PWs) bands (ev): -34.3863 -34.3862 4.5942 4.6066 6.3049 6.3389 8.8340 8.9958 10.4803 10.4893 11.6757 11.9515 13.3259 13.3691 13.9003 14.5538 18.5491 18.7017 19.2313 19.2324 k = 0.5000 0.2887 0.1506 ( 1080 PWs) bands (ev): -34.3863 -34.3862 4.5928 4.6052 6.3105 6.3453 8.7804 8.9407 10.4815 10.4900 11.6723 11.9278 13.3341 13.3690 14.0363 14.6866 18.5296 18.6813 19.2309 19.2313 k = 0.5000 0.2887 0.1423 ( 1080 PWs) bands (ev): -34.3863 -34.3862 4.5914 4.6038 6.3162 6.3516 8.7288 8.8867 10.4831 10.4911 11.6689 11.9050 13.3397 13.3688 14.1757 14.8189 18.5086 18.6573 19.2302 19.2305 k = 0.5000 0.2887 0.1339 ( 1080 PWs) bands (ev): -34.3863 -34.3862 4.5901 4.6024 6.3221 6.3577 8.6796 8.8339 10.4850 10.4925 11.6656 11.8833 13.3439 13.3687 14.3169 14.9501 18.4861 18.6296 19.2292 19.2301 k = 0.5000 0.2887 0.1255 ( 1080 PWs) bands (ev): -34.3862 -34.3862 4.5889 4.6010 6.3280 6.3636 8.6329 8.7828 10.4873 10.4942 11.6624 11.8625 13.3470 13.3685 14.4589 15.0795 18.4622 18.5982 19.2282 19.2297 k = 0.5000 0.2887 0.1171 ( 1082 PWs) bands (ev): -34.3862 -34.3862 4.5878 4.5996 6.3339 6.3693 8.5889 8.7335 10.4897 10.4962 11.6594 11.8427 13.3496 13.3684 14.6010 15.2064 18.4367 18.5631 19.2273 19.2292 k = 0.5000 0.2887 0.1088 ( 1086 PWs) bands (ev): -34.3862 -34.3862 4.5868 4.5981 6.3398 6.3746 8.5478 8.6862 10.4923 10.4982 11.6566 11.8239 13.3516 13.3682 14.7423 15.3299 18.4098 18.5247 19.2264 19.2288 k = 0.5000 0.2887 0.1004 ( 1086 PWs) bands (ev): -34.3862 -34.3862 4.5859 4.5967 6.3457 6.3796 8.5099 8.6412 10.4950 10.5004 11.6541 11.8061 13.3534 13.3680 14.8822 15.4493 18.3815 18.4834 19.2258 19.2284 k = 0.5000 0.2887 0.0920 ( 1086 PWs) bands (ev): -34.3862 -34.3862 4.5851 4.5954 6.3515 6.3842 8.4751 8.5986 10.4976 10.5025 11.6520 11.7892 13.3549 13.3678 15.0201 15.5636 18.3520 18.4395 19.2252 19.2280 k = 0.5000 0.2887 0.0837 ( 1082 PWs) bands (ev): -34.3862 -34.3861 4.5845 4.5940 6.3572 6.3883 8.4436 8.5585 10.5003 10.5047 11.6503 11.7734 13.3562 13.3676 15.1551 15.6717 18.3214 18.3937 19.2248 19.2276 k = 0.5000 0.2887 0.0753 ( 1082 PWs) bands (ev): -34.3862 -34.3861 4.5839 4.5927 6.3628 6.3919 8.4156 8.5212 10.5028 10.5067 11.6491 11.7585 13.3573 13.3673 15.2864 15.7726 18.2900 18.3469 19.2244 19.2272 k = 0.5000 0.2887 0.0669 ( 1082 PWs) bands (ev): -34.3862 -34.3861 4.5834 4.5915 6.3681 6.3950 8.3910 8.4867 10.5053 10.5087 11.6485 11.7446 13.3584 13.3671 15.4133 15.8648 18.2582 18.2999 19.2242 19.2269 k = 0.5000 0.2887 0.0586 ( 1080 PWs) bands (ev): -34.3862 -34.3861 4.5831 4.5903 6.3732 6.3976 8.3700 8.4551 10.5075 10.5105 11.6484 11.7317 13.3593 13.3668 15.5346 15.9469 18.2264 18.2540 19.2240 19.2265 k = 0.5000 0.2887 0.0502 ( 1082 PWs) bands (ev): -34.3862 -34.3861 4.5829 4.5892 6.3780 6.3995 8.3526 8.4266 10.5096 10.5121 11.6490 11.7198 13.3602 13.3665 15.6492 16.0175 18.1953 18.2106 19.2239 19.2262 k = 0.5000 0.2887 0.0418 ( 1074 PWs) bands (ev): -34.3862 -34.3861 4.5828 4.5881 6.3825 6.4008 8.3389 8.4013 10.5114 10.5134 11.6503 11.7088 13.3609 13.3661 15.7560 16.0748 18.1656 18.1710 19.2240 19.2259 k = 0.5000 0.2887 0.0335 ( 1074 PWs) bands (ev): -34.3862 -34.3861 4.5829 4.5872 6.3866 6.4016 8.3288 8.3793 10.5129 10.5146 11.6523 11.6989 13.3616 13.3658 15.8534 16.1173 18.1367 18.1382 19.2240 19.2256 k = 0.5000 0.2887 0.0251 ( 1074 PWs) bands (ev): -34.3862 -34.3861 4.5830 4.5863 6.3903 6.4017 8.3224 8.3606 10.5142 10.5154 11.6551 11.6898 13.3623 13.3654 15.9399 16.1436 18.1093 18.1144 19.2241 19.2253 k = 0.5000 0.2887 0.0167 ( 1068 PWs) bands (ev): -34.3862 -34.3861 4.5833 4.5855 6.3935 6.4012 8.3197 8.3453 10.5152 10.5160 11.6587 11.6818 13.3629 13.3650 16.0137 16.1526 18.0897 18.0953 19.2242 19.2251 k = 0.5000 0.2887 0.0084 ( 1068 PWs) bands (ev): -34.3861 -34.3861 4.5837 4.5848 6.3963 6.4001 8.3207 8.3335 10.5158 10.5162 11.6631 11.6747 13.3635 13.3645 16.0733 16.1437 18.0788 18.0822 19.2244 19.2248 k = 0.5000 0.2887-0.0000 ( 1072 PWs) bands (ev): -34.3861 -34.3861 4.5842 4.5842 6.3985 6.3985 8.3253 8.3253 10.5162 10.5162 11.6685 11.6685 13.3640 13.3640 16.1170 16.1170 18.0764 18.0764 19.2245 19.2245 k = 0.3333 0.5774-0.0000 ( 1086 PWs) bands (ev): -34.3787 -34.3786 7.3470 7.3794 7.4292 7.5881 7.7471 7.8202 8.1348 8.3539 8.9610 8.9901 14.8476 14.9972 15.6692 15.6745 18.9073 19.2151 19.2264 19.2264 k = 0.3333 0.5774 0.0084 ( 1077 PWs) bands (ev): -34.3787 -34.3786 7.3467 7.3796 7.4293 7.5866 7.7483 7.8201 8.1347 8.3534 8.9626 8.9915 14.8507 14.9998 15.6678 15.6731 18.9062 19.2140 19.2265 19.2265 k = 0.3333 0.5774 0.0167 ( 1077 PWs) bands (ev): -34.3787 -34.3786 7.3460 7.3803 7.4298 7.5823 7.7517 7.8197 8.1345 8.3519 8.9674 8.9959 14.8600 15.0076 15.6635 15.6688 18.9029 19.2108 19.2264 19.2265 k = 0.3333 0.5774 0.0251 ( 1071 PWs) bands (ev): -34.3787 -34.3786 7.3448 7.3815 7.4305 7.5755 7.7571 7.8190 8.1342 8.3495 8.9754 9.0031 14.8755 15.0207 15.6563 15.6616 18.8973 19.2054 19.2264 19.2265 k = 0.3333 0.5774 0.0335 ( 1071 PWs) bands (ev): -34.3787 -34.3786 7.3432 7.3831 7.4315 7.5666 7.7640 7.8181 8.1336 8.3462 8.9865 9.0132 14.8971 15.0389 15.6461 15.6515 18.8896 19.1980 19.2262 19.2264 k = 0.3333 0.5774 0.0418 ( 1071 PWs) bands (ev): -34.3787 -34.3786 7.3411 7.3852 7.4328 7.5560 7.7720 7.8169 8.1329 8.3421 9.0008 9.0261 14.9247 15.0621 15.6328 15.6384 18.8797 19.1887 19.2259 19.2263 k = 0.3333 0.5774 0.0502 ( 1071 PWs) bands (ev): -34.3787 -34.3786 7.3387 7.3877 7.4342 7.5442 7.7807 7.8155 8.1318 8.3373 9.0182 9.0420 14.9583 15.0904 15.6165 15.6222 18.8676 19.1775 19.2255 19.2261 k = 0.3333 0.5774 0.0586 ( 1068 PWs) bands (ev): -34.3787 -34.3786 7.3360 7.3906 7.4358 7.5315 7.7898 7.8139 8.1304 8.3320 9.0386 9.0606 14.9977 15.1235 15.5968 15.6029 18.8531 19.1646 19.2250 19.2259 k = 0.3333 0.5774 0.0669 ( 1074 PWs) bands (ev): -34.3787 -34.3786 7.3329 7.3940 7.4375 7.5179 7.7992 7.8119 8.1285 8.3263 9.0621 9.0821 15.0427 15.1613 15.5738 15.5802 18.8363 19.1500 19.2242 19.2255 k = 0.3333 0.5774 0.0753 ( 1080 PWs) bands (ev): -34.3787 -34.3786 7.3297 7.3977 7.4392 7.5038 7.8086 7.8098 8.1262 8.3203 9.0886 9.1064 15.0933 15.2036 15.5472 15.5544 18.8171 19.1341 19.2231 19.2249 k = 0.3333 0.5774 0.0837 ( 1086 PWs) bands (ev): -34.3787 -34.3786 7.3262 7.4018 7.4411 7.4892 7.8074 7.8180 8.1232 8.3143 9.1179 9.1335 15.1491 15.2499 15.5169 15.5254 18.7950 19.1169 19.2214 19.2242 k = 0.3333 0.5774 0.0920 ( 1086 PWs) bands (ev): -34.3787 -34.3786 7.3226 7.4062 7.4429 7.4743 7.8047 7.8273 8.1196 8.3085 9.1500 9.1632 15.2102 15.2991 15.4827 15.4941 18.7699 19.0986 19.2186 19.2233 k = 0.3333 0.5774 0.1004 ( 1086 PWs) bands (ev): -34.3787 -34.3787 7.3188 7.4110 7.4448 7.4592 7.8019 7.8364 8.1152 8.3030 9.1848 9.1956 15.2761 15.3472 15.4446 15.4642 18.7412 19.0794 19.2131 19.2218 k = 0.3333 0.5774 0.1088 ( 1086 PWs) bands (ev): -34.3787 -34.3787 7.3149 7.4160 7.4441 7.4467 7.7988 7.8451 8.1099 8.2979 9.2222 9.2305 15.3467 15.3710 15.4023 15.4585 18.7081 19.0595 19.1985 19.2195 k = 0.3333 0.5774 0.1171 ( 1086 PWs) bands (ev): -34.3788 -34.3787 7.3110 7.4213 7.4288 7.4486 7.7955 7.8536 8.1039 8.2934 9.2621 9.2679 15.3447 15.3559 15.4218 15.5028 18.6698 19.0390 19.1453 19.2150 k = 0.3333 0.5774 0.1255 ( 1086 PWs) bands (ev): -34.3788 -34.3787 7.3069 7.4137 7.4269 7.4504 7.7919 7.8618 8.0970 8.2896 9.3042 9.3075 15.2992 15.3053 15.5010 15.5658 18.6250 19.0181 19.0292 19.2045 k = 0.3333 0.5774 0.1339 ( 1086 PWs) bands (ev): -34.3788 -34.3787 7.3029 7.3987 7.4327 7.4522 7.7882 7.8696 8.0894 8.2864 9.3485 9.3493 15.2463 15.2504 15.5842 15.6353 18.5730 18.8960 18.9971 19.1734 k = 0.3333 0.5774 0.1423 ( 1086 PWs) bands (ev): -34.3788 -34.3787 7.2988 7.3839 7.4386 7.4539 7.7843 7.8770 8.0812 8.2839 9.3931 9.3947 15.1884 15.1916 15.6709 15.7091 18.5133 18.7657 18.9761 19.1099 k = 0.3333 0.5774 0.1506 ( 1074 PWs) bands (ev): -34.3788 -34.3787 7.2947 7.3694 7.4448 7.4556 7.7803 7.8840 8.0724 8.2820 9.4386 9.4426 15.1261 15.1288 15.7609 15.7863 18.4467 18.6423 18.9552 19.0401 k = 0.3333 0.5774 0.1590 ( 1074 PWs) bands (ev): -34.3788 -34.3788 7.2906 7.3553 7.4510 7.4572 7.7761 7.8905 8.0632 8.2808 9.4856 9.4919 15.0601 15.0625 15.8537 15.8664 18.3751 18.5270 18.9346 18.9789 k = 0.3333 0.5774 0.1674 ( 1074 PWs) bands (ev): -34.3788 -34.3788 7.2866 7.3415 7.4574 7.4587 7.7718 7.8967 8.0537 8.2800 9.5338 9.5424 14.9908 14.9932 15.9488 15.9491 18.3011 18.4204 18.9145 18.9276 k = 0.3333 0.5774 0.1757 ( 1065 PWs) bands (ev): -34.3788 -34.3788 7.2827 7.3283 7.4602 7.4638 7.7673 7.9025 8.0441 8.2797 9.5830 9.5937 14.9190 14.9212 16.0332 16.0465 18.2273 18.3226 18.8850 18.8951 k = 0.3333 0.5774 0.1841 ( 1065 PWs) bands (ev): -34.3788 -34.3788 7.2789 7.3156 7.4616 7.4702 7.7628 7.9079 8.0346 8.2798 9.6327 9.6456 14.8452 14.8474 16.1191 16.1454 18.1557 18.2334 18.8492 18.8764 k = 0.3333 0.5774 0.1925 ( 1065 PWs) bands (ev): -34.3789 -34.3788 7.2752 7.3035 7.4629 7.4765 7.7582 7.9128 8.0252 8.2801 9.6826 9.6975 14.7702 14.7724 16.2060 16.2453 18.0879 18.1527 18.8188 18.8586 k = 0.3333 0.5774 0.2008 ( 1059 PWs) bands (ev): -34.3789 -34.3788 7.2717 7.2921 7.4641 7.4829 7.7536 7.9174 8.0161 8.2807 9.7322 9.7490 14.6950 14.6970 16.2932 16.3456 18.0248 18.0801 18.7926 18.8419 k = 0.3333 0.5774 0.2092 ( 1059 PWs) bands (ev): -34.3789 -34.3788 7.2683 7.2814 7.4653 7.4890 7.7490 7.9215 8.0074 8.2814 9.7811 9.7997 14.6204 14.6224 16.3800 16.4455 17.9670 18.0155 18.7698 18.8263 k = 0.3333 0.5774 0.2176 ( 1059 PWs) bands (ev): -34.3789 -34.3789 7.2652 7.2714 7.4663 7.4951 7.7445 7.9253 7.9991 8.2823 9.8287 9.8490 14.5475 14.5493 16.4658 16.5441 17.9148 17.9583 18.7499 18.8120 k = 0.3333 0.5774 0.2259 ( 1059 PWs) bands (ev): -34.3789 -34.3789 7.2622 7.2623 7.4673 7.5008 7.7401 7.9287 7.9914 8.2832 9.8744 9.8963 14.4772 14.4788 16.5495 16.6405 17.8681 17.9083 18.7326 18.7991 k = 0.3333 0.5774 0.2343 ( 1059 PWs) bands (ev): -34.3789 -34.3789 7.2540 7.2595 7.4681 7.5063 7.7359 7.9317 7.9844 8.2841 9.9177 9.9411 14.4106 14.4121 16.6301 16.7336 17.8270 17.8651 18.7174 18.7877 k = 0.3333 0.5774 0.2427 ( 1059 PWs) bands (ev): -34.3789 -34.3789 7.2466 7.2571 7.4689 7.5114 7.7319 7.9343 7.9781 8.2849 9.9580 9.9827 14.3488 14.3500 16.7064 16.8219 17.7913 17.8283 18.7044 18.7778 k = 0.3333 0.5774 0.2510 ( 1059 PWs) bands (ev): -34.3789 -34.3789 7.2401 7.2549 7.4695 7.5161 7.7282 7.9366 7.9725 8.2858 9.9946 10.0205 14.2928 14.2937 16.7771 16.9040 17.7608 17.7976 18.6932 18.7694 k = 0.3333 0.5774 0.2594 ( 1065 PWs) bands (ev): -34.3789 -34.3789 7.2346 7.2530 7.4701 7.5202 7.7250 7.9385 7.9677 8.2865 10.0268 10.0538 14.2435 14.2442 16.8406 16.9781 17.7354 17.7725 18.6838 18.7626 k = 0.3333 0.5774 0.2678 ( 1065 PWs) bands (ev): -34.3789 -34.3789 7.2300 7.2515 7.4706 7.5237 7.7221 7.9401 7.9637 8.2871 10.0541 10.0820 14.2018 14.2022 16.8954 17.0424 17.7149 17.7529 18.6763 18.7574 k = 0.3333 0.5774 0.2761 ( 1059 PWs) bands (ev): -34.3789 -34.3789 7.2265 7.2503 7.4709 7.5266 7.7198 7.9413 7.9606 8.2876 10.0760 10.1046 14.1684 14.1687 16.9400 17.0950 17.6991 17.7382 18.6704 18.7536 k = 0.3333 0.5774 0.2845 ( 1062 PWs) bands (ev): -34.3789 -34.3789 7.2239 7.2494 7.4712 7.5287 7.7181 7.9421 7.9583 8.2880 10.0920 10.1211 14.1442 14.1442 16.9729 17.1342 17.6879 17.7282 18.6662 18.7510 k = 0.3333 0.5774 0.2929 ( 1062 PWs) bands (ev): -34.3789 -34.3789 7.2223 7.2489 7.4713 7.5300 7.7171 7.9426 7.9570 8.2882 10.1018 10.1312 14.1294 14.1294 16.9932 17.1584 17.6812 17.7223 18.6637 18.7495 k = 0.3333 0.5774 0.3012 ( 1056 PWs) bands (ev): -34.3789 -34.3789 7.2218 7.2487 7.4714 7.5304 7.7167 7.9428 7.9565 8.2883 10.1050 10.1346 14.1244 14.1244 17.0000 17.1665 17.6790 17.7204 18.6629 18.7491 Writing output data file LiIr.save init_run : 2.52s CPU 14.57s WALL ( 1 calls) electrons : 173.74s CPU 180.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.92s WALL ( 1 calls) potinit : 0.39s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 173.73s CPU 179.94s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.91s WALL ( 1 calls) v_h : 0.06s CPU 0.09s WALL ( 1 calls) v_xc : 0.10s CPU 0.58s WALL ( 1 calls) newd : 0.28s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 495 calls) cegterg : 135.05s CPU 136.36s WALL ( 979 calls) Called by sum_band: Called by *egterg: h_psi : 65.98s CPU 72.11s WALL ( 16025 calls) s_psi : 3.97s CPU 5.55s WALL ( 16025 calls) g_psi : 0.06s CPU 0.17s WALL ( 14551 calls) cdiaghg : 42.08s CPU 40.77s WALL ( 15046 calls) cegterg:over : 11.86s CPU 9.30s WALL ( 14551 calls) cegterg:upda : 0.53s CPU 1.24s WALL ( 14551 calls) cegterg:last : 0.35s CPU 0.97s WALL ( 3276 calls) Called by h_psi: h_psi:vloc : 54.92s CPU 61.76s WALL ( 16025 calls) h_psi:vnl : 11.02s CPU 10.20s WALL ( 16025 calls) add_vuspsi : 1.55s CPU 3.61s WALL ( 16025 calls) General routines calbec : 9.45s CPU 6.52s WALL ( 16025 calls) fft : 0.38s CPU 1.14s WALL ( 19 calls) ffts : 0.01s CPU 0.09s WALL ( 4 calls) fftw : 53.37s CPU 59.35s WALL ( 788940 calls) interpolate : 0.11s CPU 0.23s WALL ( 4 calls) davcio : 0.02s CPU 2.79s WALL ( 990 calls) Parallel routines fft_scatter : 41.53s CPU 44.78s WALL ( 788963 calls) PWSCF : 3m34.68s CPU 6m46.77s WALL This run was terminated on: 17:37:55 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=