Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31:39 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: ./TiS.save/ file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D 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 31 11 3 981 204 35 Max 32 12 4 988 220 40 Sum 1531 559 163 47249 10281 1773 bravais-lattice index = 14 lattice parameter (alat) = 6.2115 a.u. unit-cell volume = 202.7528 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.211529 celldm(2)= 1.000000 celldm(3)= 0.976879 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 0.976879 ) 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 1.023669 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 PseudoPot. # 2 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 S 6.00 32.06500 S( 1.00) Ti 12.00 47.86700 Ti( 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= 460 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0089286 0.0051549 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0178571 0.0103098 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0267857 0.0154647 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0446429 0.0257746 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0535714 0.0309295 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0021739 k( 9) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0803571 0.0463942 -0.0000000), wk = 0.0021739 k( 11) = ( 0.0892857 0.0515491 -0.0000000), wk = 0.0021739 k( 12) = ( 0.0982143 0.0567040 -0.0000000), wk = 0.0021739 k( 13) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0021739 k( 14) = ( 0.1160714 0.0670139 -0.0000000), wk = 0.0021739 k( 15) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0021739 k( 16) = ( 0.1339286 0.0773237 -0.0000000), wk = 0.0021739 k( 17) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0021739 k( 18) = ( 0.1517857 0.0876335 -0.0000000), wk = 0.0021739 k( 19) = ( 0.1607143 0.0927884 -0.0000000), wk = 0.0021739 k( 20) = ( 0.1696429 0.0979434 -0.0000000), wk = 0.0021739 k( 21) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0021739 k( 22) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0021739 k( 23) = ( 0.1964286 0.1134081 -0.0000000), wk = 0.0021739 k( 24) = ( 0.2053571 0.1185630 -0.0000000), wk = 0.0021739 k( 25) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0021739 k( 26) = ( 0.2232143 0.1288728 -0.0000000), wk = 0.0021739 k( 27) = ( 0.2321429 0.1340277 -0.0000000), wk = 0.0021739 k( 28) = ( 0.2410714 0.1391827 -0.0000000), wk = 0.0021739 k( 29) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0021739 k( 30) = ( 0.2589286 0.1494925 -0.0000000), wk = 0.0021739 k( 31) = ( 0.2678571 0.1546474 -0.0000000), wk = 0.0021739 k( 32) = ( 0.2767857 0.1598023 -0.0000000), wk = 0.0021739 k( 33) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0021739 k( 34) = ( 0.2946429 0.1701121 -0.0000000), wk = 0.0021739 k( 35) = ( 0.3035714 0.1752670 -0.0000000), wk = 0.0021739 k( 36) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0021739 k( 37) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0021739 k( 38) = ( 0.3303571 0.1907318 -0.0000000), wk = 0.0021739 k( 39) = ( 0.3392857 0.1958867 -0.0000000), wk = 0.0021739 k( 40) = ( 0.3482143 0.2010416 -0.0000000), wk = 0.0021739 k( 41) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0021739 k( 42) = ( 0.3660714 0.2113514 -0.0000000), wk = 0.0021739 k( 43) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0021739 k( 44) = ( 0.3839286 0.2216613 -0.0000000), wk = 0.0021739 k( 45) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0021739 k( 46) = ( 0.4017857 0.2319711 -0.0000000), wk = 0.0021739 k( 47) = ( 0.4107143 0.2371260 -0.0000000), wk = 0.0021739 k( 48) = ( 0.4196429 0.2422809 -0.0000000), wk = 0.0021739 k( 49) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0021739 k( 50) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0021739 k( 51) = ( 0.4464286 0.2577457 -0.0000000), wk = 0.0021739 k( 52) = ( 0.4553571 0.2629006 -0.0000000), wk = 0.0021739 k( 53) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0021739 k( 54) = ( 0.4732143 0.2732104 -0.0000000), wk = 0.0021739 k( 55) = ( 0.4821429 0.2783653 -0.0000000), wk = 0.0021739 k( 56) = ( 0.4910714 0.2835202 -0.0000000), wk = 0.0021739 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021739 k( 58) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021739 k( 59) = ( 0.4947917 0.2976962 -0.0000000), wk = 0.0021739 k( 60) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0021739 k( 61) = ( 0.4843750 0.3157384 -0.0000000), wk = 0.0021739 k( 62) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0021739 k( 63) = ( 0.4739583 0.3337806 -0.0000000), wk = 0.0021739 k( 64) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0021739 k( 65) = ( 0.4635417 0.3518228 -0.0000000), wk = 0.0021739 k( 66) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0021739 k( 67) = ( 0.4531250 0.3698650 -0.0000000), wk = 0.0021739 k( 68) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0021739 k( 69) = ( 0.4427083 0.3879072 -0.0000000), wk = 0.0021739 k( 70) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0021739 k( 71) = ( 0.4322917 0.4059494 -0.0000000), wk = 0.0021739 k( 72) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0021739 k( 73) = ( 0.4218750 0.4239916 -0.0000000), wk = 0.0021739 k( 74) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0021739 k( 75) = ( 0.4114583 0.4420338 -0.0000000), wk = 0.0021739 k( 76) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0021739 k( 77) = ( 0.4010417 0.4600760 -0.0000000), wk = 0.0021739 k( 78) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0021739 k( 79) = ( 0.3906250 0.4781182 -0.0000000), wk = 0.0021739 k( 80) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0021739 k( 81) = ( 0.3802083 0.4961604 -0.0000000), wk = 0.0021739 k( 82) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0021739 k( 83) = ( 0.3697917 0.5142026 -0.0000000), wk = 0.0021739 k( 84) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0021739 k( 85) = ( 0.3593750 0.5322448 -0.0000000), wk = 0.0021739 k( 86) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0021739 k( 87) = ( 0.3489583 0.5502870 -0.0000000), wk = 0.0021739 k( 88) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0021739 k( 89) = ( 0.3385417 0.5683292 -0.0000000), wk = 0.0021739 k( 90) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021739 k( 91) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021739 k( 92) = ( 0.3281250 0.5683292 -0.0000000), wk = 0.0021739 k( 93) = ( 0.3229167 0.5593081 -0.0000000), wk = 0.0021739 k( 94) = ( 0.3177083 0.5502870 -0.0000000), wk = 0.0021739 k( 95) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0021739 k( 96) = ( 0.3072917 0.5322448 -0.0000000), wk = 0.0021739 k( 97) = ( 0.3020833 0.5232237 -0.0000000), wk = 0.0021739 k( 98) = ( 0.2968750 0.5142026 -0.0000000), wk = 0.0021739 k( 99) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0021739 k( 100) = ( 0.2864583 0.4961604 -0.0000000), wk = 0.0021739 k( 101) = ( 0.2812500 0.4871393 -0.0000000), wk = 0.0021739 k( 102) = ( 0.2760417 0.4781182 -0.0000000), wk = 0.0021739 k( 103) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0021739 k( 104) = ( 0.2656250 0.4600760 -0.0000000), wk = 0.0021739 k( 105) = ( 0.2604167 0.4510549 -0.0000000), wk = 0.0021739 k( 106) = ( 0.2552083 0.4420338 -0.0000000), wk = 0.0021739 k( 107) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0021739 k( 108) = ( 0.2447917 0.4239916 -0.0000000), wk = 0.0021739 k( 109) = ( 0.2395833 0.4149705 -0.0000000), wk = 0.0021739 k( 110) = ( 0.2343750 0.4059494 -0.0000000), wk = 0.0021739 k( 111) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0021739 k( 112) = ( 0.2239583 0.3879072 -0.0000000), wk = 0.0021739 k( 113) = ( 0.2187500 0.3788861 -0.0000000), wk = 0.0021739 k( 114) = ( 0.2135417 0.3698650 -0.0000000), wk = 0.0021739 k( 115) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0021739 k( 116) = ( 0.2031250 0.3518228 -0.0000000), wk = 0.0021739 k( 117) = ( 0.1979167 0.3428017 -0.0000000), wk = 0.0021739 k( 118) = ( 0.1927083 0.3337806 -0.0000000), wk = 0.0021739 k( 119) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0021739 k( 120) = ( 0.1822917 0.3157384 -0.0000000), wk = 0.0021739 k( 121) = ( 0.1770833 0.3067173 -0.0000000), wk = 0.0021739 k( 122) = ( 0.1718750 0.2976962 -0.0000000), wk = 0.0021739 k( 123) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0021739 k( 124) = ( 0.1614583 0.2796540 -0.0000000), wk = 0.0021739 k( 125) = ( 0.1562500 0.2706329 -0.0000000), wk = 0.0021739 k( 126) = ( 0.1510417 0.2616118 -0.0000000), wk = 0.0021739 k( 127) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0021739 k( 128) = ( 0.1406250 0.2435696 -0.0000000), wk = 0.0021739 k( 129) = ( 0.1354167 0.2345486 -0.0000000), wk = 0.0021739 k( 130) = ( 0.1302083 0.2255274 -0.0000000), wk = 0.0021739 k( 131) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0021739 k( 132) = ( 0.1197917 0.2074853 -0.0000000), wk = 0.0021739 k( 133) = ( 0.1145833 0.1984641 -0.0000000), wk = 0.0021739 k( 134) = ( 0.1093750 0.1894431 -0.0000000), wk = 0.0021739 k( 135) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0021739 k( 136) = ( 0.0989583 0.1714009 -0.0000000), wk = 0.0021739 k( 137) = ( 0.0937500 0.1623798 -0.0000000), wk = 0.0021739 k( 138) = ( 0.0885417 0.1533587 -0.0000000), wk = 0.0021739 k( 139) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0021739 k( 140) = ( 0.0781250 0.1353165 -0.0000000), wk = 0.0021739 k( 141) = ( 0.0729167 0.1262954 -0.0000000), wk = 0.0021739 k( 142) = ( 0.0677083 0.1172743 -0.0000000), wk = 0.0021739 k( 143) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0021739 k( 144) = ( 0.0572917 0.0992321 -0.0000000), wk = 0.0021739 k( 145) = ( 0.0520833 0.0902110 -0.0000000), wk = 0.0021739 k( 146) = ( 0.0468750 0.0811899 -0.0000000), wk = 0.0021739 k( 147) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0021739 k( 148) = ( 0.0364583 0.0631477 -0.0000000), wk = 0.0021739 k( 149) = ( 0.0312500 0.0541266 -0.0000000), wk = 0.0021739 k( 150) = ( 0.0260417 0.0451055 -0.0000000), wk = 0.0021739 k( 151) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0021739 k( 152) = ( 0.0156250 0.0270633 -0.0000000), wk = 0.0021739 k( 153) = ( 0.0104167 0.0180422 -0.0000000), wk = 0.0021739 k( 154) = ( 0.0052083 0.0090211 -0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.0000000 0.0104456), wk = 0.0021739 k( 158) = ( 0.0000000 0.0000000 0.0208912), wk = 0.0021739 k( 159) = ( 0.0000000 0.0000000 0.0313368), wk = 0.0021739 k( 160) = ( 0.0000000 0.0000000 0.0417824), wk = 0.0021739 k( 161) = ( 0.0000000 0.0000000 0.0522280), wk = 0.0021739 k( 162) = ( 0.0000000 0.0000000 0.0626736), wk = 0.0021739 k( 163) = ( 0.0000000 0.0000000 0.0731192), wk = 0.0021739 k( 164) = ( 0.0000000 0.0000000 0.0835648), wk = 0.0021739 k( 165) = ( 0.0000000 0.0000000 0.0940104), wk = 0.0021739 k( 166) = ( 0.0000000 0.0000000 0.1044560), wk = 0.0021739 k( 167) = ( 0.0000000 0.0000000 0.1149016), wk = 0.0021739 k( 168) = ( 0.0000000 0.0000000 0.1253472), wk = 0.0021739 k( 169) = ( 0.0000000 0.0000000 0.1357928), wk = 0.0021739 k( 170) = ( 0.0000000 0.0000000 0.1462384), wk = 0.0021739 k( 171) = ( 0.0000000 0.0000000 0.1566840), wk = 0.0021739 k( 172) = ( 0.0000000 0.0000000 0.1671296), wk = 0.0021739 k( 173) = ( 0.0000000 0.0000000 0.1775752), wk = 0.0021739 k( 174) = ( 0.0000000 0.0000000 0.1880208), wk = 0.0021739 k( 175) = ( 0.0000000 0.0000000 0.1984664), wk = 0.0021739 k( 176) = ( 0.0000000 0.0000000 0.2089120), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.2193576), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.2298032), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.2402488), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.2506944), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.2611400), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.2715856), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.2820312), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.2924768), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.3029224), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.3133680), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.3238135), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.3342591), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.3447047), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.3551503), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.3655959), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.3760415), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.3864871), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.3969327), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.4073783), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.4178239), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.4282695), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.4387151), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.4491607), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.4596063), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.4700519), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.4804975), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.4909431), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.5013887), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.5118343), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.5118343), wk = 0.0021739 k( 207) = ( 0.0089286 0.0051549 0.5118343), wk = 0.0021739 k( 208) = ( 0.0178571 0.0103098 0.5118343), wk = 0.0021739 k( 209) = ( 0.0267857 0.0154647 0.5118343), wk = 0.0021739 k( 210) = ( 0.0357143 0.0206197 0.5118343), wk = 0.0021739 k( 211) = ( 0.0446429 0.0257746 0.5118343), wk = 0.0021739 k( 212) = ( 0.0535714 0.0309295 0.5118343), wk = 0.0021739 k( 213) = ( 0.0625000 0.0360844 0.5118343), wk = 0.0021739 k( 214) = ( 0.0714286 0.0412393 0.5118343), wk = 0.0021739 k( 215) = ( 0.0803571 0.0463942 0.5118343), wk = 0.0021739 k( 216) = ( 0.0892857 0.0515491 0.5118343), wk = 0.0021739 k( 217) = ( 0.0982143 0.0567040 0.5118343), wk = 0.0021739 k( 218) = ( 0.1071429 0.0618590 0.5118343), wk = 0.0021739 k( 219) = ( 0.1160714 0.0670139 0.5118343), wk = 0.0021739 k( 220) = ( 0.1250000 0.0721688 0.5118343), wk = 0.0021739 k( 221) = ( 0.1339286 0.0773237 0.5118343), wk = 0.0021739 k( 222) = ( 0.1428571 0.0824786 0.5118343), wk = 0.0021739 k( 223) = ( 0.1517857 0.0876335 0.5118343), wk = 0.0021739 k( 224) = ( 0.1607143 0.0927884 0.5118343), wk = 0.0021739 k( 225) = ( 0.1696429 0.0979434 0.5118343), wk = 0.0021739 k( 226) = ( 0.1785714 0.1030983 0.5118343), wk = 0.0021739 k( 227) = ( 0.1875000 0.1082532 0.5118343), wk = 0.0021739 k( 228) = ( 0.1964286 0.1134081 0.5118343), wk = 0.0021739 k( 229) = ( 0.2053571 0.1185630 0.5118343), wk = 0.0021739 k( 230) = ( 0.2142857 0.1237179 0.5118343), wk = 0.0021739 k( 231) = ( 0.2232143 0.1288728 0.5118343), wk = 0.0021739 k( 232) = ( 0.2321429 0.1340277 0.5118343), wk = 0.0021739 k( 233) = ( 0.2410714 0.1391827 0.5118343), wk = 0.0021739 k( 234) = ( 0.2500000 0.1443376 0.5118343), wk = 0.0021739 k( 235) = ( 0.2589286 0.1494925 0.5118343), wk = 0.0021739 k( 236) = ( 0.2678571 0.1546474 0.5118343), wk = 0.0021739 k( 237) = ( 0.2767857 0.1598023 0.5118343), wk = 0.0021739 k( 238) = ( 0.2857143 0.1649572 0.5118343), wk = 0.0021739 k( 239) = ( 0.2946429 0.1701121 0.5118343), wk = 0.0021739 k( 240) = ( 0.3035714 0.1752670 0.5118343), wk = 0.0021739 k( 241) = ( 0.3125000 0.1804220 0.5118343), wk = 0.0021739 k( 242) = ( 0.3214286 0.1855769 0.5118343), wk = 0.0021739 k( 243) = ( 0.3303571 0.1907318 0.5118343), wk = 0.0021739 k( 244) = ( 0.3392857 0.1958867 0.5118343), wk = 0.0021739 k( 245) = ( 0.3482143 0.2010416 0.5118343), wk = 0.0021739 k( 246) = ( 0.3571429 0.2061965 0.5118343), wk = 0.0021739 k( 247) = ( 0.3660714 0.2113514 0.5118343), wk = 0.0021739 k( 248) = ( 0.3750000 0.2165064 0.5118343), wk = 0.0021739 k( 249) = ( 0.3839286 0.2216613 0.5118343), wk = 0.0021739 k( 250) = ( 0.3928571 0.2268162 0.5118343), wk = 0.0021739 k( 251) = ( 0.4017857 0.2319711 0.5118343), wk = 0.0021739 k( 252) = ( 0.4107143 0.2371260 0.5118343), wk = 0.0021739 k( 253) = ( 0.4196429 0.2422809 0.5118343), wk = 0.0021739 k( 254) = ( 0.4285714 0.2474358 0.5118343), wk = 0.0021739 k( 255) = ( 0.4375000 0.2525907 0.5118343), wk = 0.0021739 k( 256) = ( 0.4464286 0.2577457 0.5118343), wk = 0.0021739 k( 257) = ( 0.4553571 0.2629006 0.5118343), wk = 0.0021739 k( 258) = ( 0.4642857 0.2680555 0.5118343), wk = 0.0021739 k( 259) = ( 0.4732143 0.2732104 0.5118343), wk = 0.0021739 k( 260) = ( 0.4821429 0.2783653 0.5118343), wk = 0.0021739 k( 261) = ( 0.4910714 0.2835202 0.5118343), wk = 0.0021739 k( 262) = ( 0.5000000 0.2886751 0.5118343), wk = 0.0021739 k( 263) = ( 0.5000000 0.2886751 0.5118343), wk = 0.0021739 k( 264) = ( 0.4947917 0.2976962 0.5118343), wk = 0.0021739 k( 265) = ( 0.4895833 0.3067173 0.5118343), wk = 0.0021739 k( 266) = ( 0.4843750 0.3157384 0.5118343), wk = 0.0021739 k( 267) = ( 0.4791667 0.3247595 0.5118343), wk = 0.0021739 k( 268) = ( 0.4739583 0.3337806 0.5118343), wk = 0.0021739 k( 269) = ( 0.4687500 0.3428017 0.5118343), wk = 0.0021739 k( 270) = ( 0.4635417 0.3518228 0.5118343), wk = 0.0021739 k( 271) = ( 0.4583333 0.3608439 0.5118343), wk = 0.0021739 k( 272) = ( 0.4531250 0.3698650 0.5118343), wk = 0.0021739 k( 273) = ( 0.4479167 0.3788861 0.5118343), wk = 0.0021739 k( 274) = ( 0.4427083 0.3879072 0.5118343), wk = 0.0021739 k( 275) = ( 0.4375000 0.3969283 0.5118343), wk = 0.0021739 k( 276) = ( 0.4322917 0.4059494 0.5118343), wk = 0.0021739 k( 277) = ( 0.4270833 0.4149705 0.5118343), wk = 0.0021739 k( 278) = ( 0.4218750 0.4239916 0.5118343), wk = 0.0021739 k( 279) = ( 0.4166667 0.4330127 0.5118343), wk = 0.0021739 k( 280) = ( 0.4114583 0.4420338 0.5118343), wk = 0.0021739 k( 281) = ( 0.4062500 0.4510549 0.5118343), wk = 0.0021739 k( 282) = ( 0.4010417 0.4600760 0.5118343), wk = 0.0021739 k( 283) = ( 0.3958333 0.4690971 0.5118343), wk = 0.0021739 k( 284) = ( 0.3906250 0.4781182 0.5118343), wk = 0.0021739 k( 285) = ( 0.3854167 0.4871393 0.5118343), wk = 0.0021739 k( 286) = ( 0.3802083 0.4961604 0.5118343), wk = 0.0021739 k( 287) = ( 0.3750000 0.5051815 0.5118343), wk = 0.0021739 k( 288) = ( 0.3697917 0.5142026 0.5118343), wk = 0.0021739 k( 289) = ( 0.3645833 0.5232237 0.5118343), wk = 0.0021739 k( 290) = ( 0.3593750 0.5322448 0.5118343), wk = 0.0021739 k( 291) = ( 0.3541667 0.5412659 0.5118343), wk = 0.0021739 k( 292) = ( 0.3489583 0.5502870 0.5118343), wk = 0.0021739 k( 293) = ( 0.3437500 0.5593081 0.5118343), wk = 0.0021739 k( 294) = ( 0.3385417 0.5683292 0.5118343), wk = 0.0021739 k( 295) = ( 0.3333333 0.5773503 0.5118343), wk = 0.0021739 k( 296) = ( 0.3333333 0.5773503 0.5118343), wk = 0.0021739 k( 297) = ( 0.3281250 0.5683292 0.5118343), wk = 0.0021739 k( 298) = ( 0.3229167 0.5593081 0.5118343), wk = 0.0021739 k( 299) = ( 0.3177083 0.5502870 0.5118343), wk = 0.0021739 k( 300) = ( 0.3125000 0.5412659 0.5118343), wk = 0.0021739 k( 301) = ( 0.3072917 0.5322448 0.5118343), wk = 0.0021739 k( 302) = ( 0.3020833 0.5232237 0.5118343), wk = 0.0021739 k( 303) = ( 0.2968750 0.5142026 0.5118343), wk = 0.0021739 k( 304) = ( 0.2916667 0.5051815 0.5118343), wk = 0.0021739 k( 305) = ( 0.2864583 0.4961604 0.5118343), wk = 0.0021739 k( 306) = ( 0.2812500 0.4871393 0.5118343), wk = 0.0021739 k( 307) = ( 0.2760417 0.4781182 0.5118343), wk = 0.0021739 k( 308) = ( 0.2708333 0.4690971 0.5118343), wk = 0.0021739 k( 309) = ( 0.2656250 0.4600760 0.5118343), wk = 0.0021739 k( 310) = ( 0.2604167 0.4510549 0.5118343), wk = 0.0021739 k( 311) = ( 0.2552083 0.4420338 0.5118343), wk = 0.0021739 k( 312) = ( 0.2500000 0.4330127 0.5118343), wk = 0.0021739 k( 313) = ( 0.2447917 0.4239916 0.5118343), wk = 0.0021739 k( 314) = ( 0.2395833 0.4149705 0.5118343), wk = 0.0021739 k( 315) = ( 0.2343750 0.4059494 0.5118343), wk = 0.0021739 k( 316) = ( 0.2291667 0.3969283 0.5118343), wk = 0.0021739 k( 317) = ( 0.2239583 0.3879072 0.5118343), wk = 0.0021739 k( 318) = ( 0.2187500 0.3788861 0.5118343), wk = 0.0021739 k( 319) = ( 0.2135417 0.3698650 0.5118343), wk = 0.0021739 k( 320) = ( 0.2083333 0.3608439 0.5118343), wk = 0.0021739 k( 321) = ( 0.2031250 0.3518228 0.5118343), wk = 0.0021739 k( 322) = ( 0.1979167 0.3428017 0.5118343), wk = 0.0021739 k( 323) = ( 0.1927083 0.3337806 0.5118343), wk = 0.0021739 k( 324) = ( 0.1875000 0.3247595 0.5118343), wk = 0.0021739 k( 325) = ( 0.1822917 0.3157384 0.5118343), wk = 0.0021739 k( 326) = ( 0.1770833 0.3067173 0.5118343), wk = 0.0021739 k( 327) = ( 0.1718750 0.2976962 0.5118343), wk = 0.0021739 k( 328) = ( 0.1666667 0.2886751 0.5118343), wk = 0.0021739 k( 329) = ( 0.1614583 0.2796540 0.5118343), wk = 0.0021739 k( 330) = ( 0.1562500 0.2706329 0.5118343), wk = 0.0021739 k( 331) = ( 0.1510417 0.2616118 0.5118343), wk = 0.0021739 k( 332) = ( 0.1458333 0.2525907 0.5118343), wk = 0.0021739 k( 333) = ( 0.1406250 0.2435696 0.5118343), wk = 0.0021739 k( 334) = ( 0.1354167 0.2345486 0.5118343), wk = 0.0021739 k( 335) = ( 0.1302083 0.2255274 0.5118343), wk = 0.0021739 k( 336) = ( 0.1250000 0.2165064 0.5118343), wk = 0.0021739 k( 337) = ( 0.1197917 0.2074853 0.5118343), wk = 0.0021739 k( 338) = ( 0.1145833 0.1984641 0.5118343), wk = 0.0021739 k( 339) = ( 0.1093750 0.1894431 0.5118343), wk = 0.0021739 k( 340) = ( 0.1041667 0.1804220 0.5118343), wk = 0.0021739 k( 341) = ( 0.0989583 0.1714009 0.5118343), wk = 0.0021739 k( 342) = ( 0.0937500 0.1623798 0.5118343), wk = 0.0021739 k( 343) = ( 0.0885417 0.1533587 0.5118343), wk = 0.0021739 k( 344) = ( 0.0833333 0.1443376 0.5118343), wk = 0.0021739 k( 345) = ( 0.0781250 0.1353165 0.5118343), wk = 0.0021739 k( 346) = ( 0.0729167 0.1262954 0.5118343), wk = 0.0021739 k( 347) = ( 0.0677083 0.1172743 0.5118343), wk = 0.0021739 k( 348) = ( 0.0625000 0.1082532 0.5118343), wk = 0.0021739 k( 349) = ( 0.0572917 0.0992321 0.5118343), wk = 0.0021739 k( 350) = ( 0.0520833 0.0902110 0.5118343), wk = 0.0021739 k( 351) = ( 0.0468750 0.0811899 0.5118343), wk = 0.0021739 k( 352) = ( 0.0416667 0.0721688 0.5118343), wk = 0.0021739 k( 353) = ( 0.0364583 0.0631477 0.5118343), wk = 0.0021739 k( 354) = ( 0.0312500 0.0541266 0.5118343), wk = 0.0021739 k( 355) = ( 0.0260417 0.0451055 0.5118343), wk = 0.0021739 k( 356) = ( 0.0208333 0.0360844 0.5118343), wk = 0.0021739 k( 357) = ( 0.0156250 0.0270633 0.5118343), wk = 0.0021739 k( 358) = ( 0.0104167 0.0180422 0.5118343), wk = 0.0021739 k( 359) = ( 0.0052083 0.0090211 0.5118343), wk = 0.0021739 k( 360) = ( 0.0000000 0.0000000 0.5118343), wk = 0.0021739 k( 361) = ( 0.5000000 0.2886751 0.5118343), wk = 0.0021739 k( 362) = ( 0.5000000 0.2886751 0.5013887), wk = 0.0021739 k( 363) = ( 0.5000000 0.2886751 0.4909431), wk = 0.0021739 k( 364) = ( 0.5000000 0.2886751 0.4804975), wk = 0.0021739 k( 365) = ( 0.5000000 0.2886751 0.4700519), wk = 0.0021739 k( 366) = ( 0.5000000 0.2886751 0.4596063), wk = 0.0021739 k( 367) = ( 0.5000000 0.2886751 0.4491607), wk = 0.0021739 k( 368) = ( 0.5000000 0.2886751 0.4387151), wk = 0.0021739 k( 369) = ( 0.5000000 0.2886751 0.4282695), wk = 0.0021739 k( 370) = ( 0.5000000 0.2886751 0.4178239), wk = 0.0021739 k( 371) = ( 0.5000000 0.2886751 0.4073783), wk = 0.0021739 k( 372) = ( 0.5000000 0.2886751 0.3969327), wk = 0.0021739 k( 373) = ( 0.5000000 0.2886751 0.3864871), wk = 0.0021739 k( 374) = ( 0.5000000 0.2886751 0.3760415), wk = 0.0021739 k( 375) = ( 0.5000000 0.2886751 0.3655959), wk = 0.0021739 k( 376) = ( 0.5000000 0.2886751 0.3551503), wk = 0.0021739 k( 377) = ( 0.5000000 0.2886751 0.3447047), wk = 0.0021739 k( 378) = ( 0.5000000 0.2886751 0.3342591), wk = 0.0021739 k( 379) = ( 0.5000000 0.2886751 0.3238135), wk = 0.0021739 k( 380) = ( 0.5000000 0.2886751 0.3133680), wk = 0.0021739 k( 381) = ( 0.5000000 0.2886751 0.3029224), wk = 0.0021739 k( 382) = ( 0.5000000 0.2886751 0.2924768), wk = 0.0021739 k( 383) = ( 0.5000000 0.2886751 0.2820312), wk = 0.0021739 k( 384) = ( 0.5000000 0.2886751 0.2715856), wk = 0.0021739 k( 385) = ( 0.5000000 0.2886751 0.2611400), wk = 0.0021739 k( 386) = ( 0.5000000 0.2886751 0.2506944), wk = 0.0021739 k( 387) = ( 0.5000000 0.2886751 0.2402488), wk = 0.0021739 k( 388) = ( 0.5000000 0.2886751 0.2298032), wk = 0.0021739 k( 389) = ( 0.5000000 0.2886751 0.2193576), wk = 0.0021739 k( 390) = ( 0.5000000 0.2886751 0.2089120), wk = 0.0021739 k( 391) = ( 0.5000000 0.2886751 0.1984664), wk = 0.0021739 k( 392) = ( 0.5000000 0.2886751 0.1880208), wk = 0.0021739 k( 393) = ( 0.5000000 0.2886751 0.1775752), wk = 0.0021739 k( 394) = ( 0.5000000 0.2886751 0.1671296), wk = 0.0021739 k( 395) = ( 0.5000000 0.2886751 0.1566840), wk = 0.0021739 k( 396) = ( 0.5000000 0.2886751 0.1462384), wk = 0.0021739 k( 397) = ( 0.5000000 0.2886751 0.1357928), wk = 0.0021739 k( 398) = ( 0.5000000 0.2886751 0.1253472), wk = 0.0021739 k( 399) = ( 0.5000000 0.2886751 0.1149016), wk = 0.0021739 k( 400) = ( 0.5000000 0.2886751 0.1044560), wk = 0.0021739 k( 401) = ( 0.5000000 0.2886751 0.0940104), wk = 0.0021739 k( 402) = ( 0.5000000 0.2886751 0.0835648), wk = 0.0021739 k( 403) = ( 0.5000000 0.2886751 0.0731192), wk = 0.0021739 k( 404) = ( 0.5000000 0.2886751 0.0626736), wk = 0.0021739 k( 405) = ( 0.5000000 0.2886751 0.0522280), wk = 0.0021739 k( 406) = ( 0.5000000 0.2886751 0.0417824), wk = 0.0021739 k( 407) = ( 0.5000000 0.2886751 0.0313368), wk = 0.0021739 k( 408) = ( 0.5000000 0.2886751 0.0208912), wk = 0.0021739 k( 409) = ( 0.5000000 0.2886751 0.0104456), wk = 0.0021739 k( 410) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021739 k( 411) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021739 k( 412) = ( 0.3333333 0.5773503 0.0104456), wk = 0.0021739 k( 413) = ( 0.3333333 0.5773503 0.0208912), wk = 0.0021739 k( 414) = ( 0.3333333 0.5773503 0.0313368), wk = 0.0021739 k( 415) = ( 0.3333333 0.5773503 0.0417824), wk = 0.0021739 k( 416) = ( 0.3333333 0.5773503 0.0522280), wk = 0.0021739 k( 417) = ( 0.3333333 0.5773503 0.0626736), wk = 0.0021739 k( 418) = ( 0.3333333 0.5773503 0.0731192), wk = 0.0021739 k( 419) = ( 0.3333333 0.5773503 0.0835648), wk = 0.0021739 k( 420) = ( 0.3333333 0.5773503 0.0940104), wk = 0.0021739 k( 421) = ( 0.3333333 0.5773503 0.1044560), wk = 0.0021739 k( 422) = ( 0.3333333 0.5773503 0.1149016), wk = 0.0021739 k( 423) = ( 0.3333333 0.5773503 0.1253472), wk = 0.0021739 k( 424) = ( 0.3333333 0.5773503 0.1357928), wk = 0.0021739 k( 425) = ( 0.3333333 0.5773503 0.1462384), wk = 0.0021739 k( 426) = ( 0.3333333 0.5773503 0.1566840), wk = 0.0021739 k( 427) = ( 0.3333333 0.5773503 0.1671296), wk = 0.0021739 k( 428) = ( 0.3333333 0.5773503 0.1775752), wk = 0.0021739 k( 429) = ( 0.3333333 0.5773503 0.1880208), wk = 0.0021739 k( 430) = ( 0.3333333 0.5773503 0.1984664), wk = 0.0021739 k( 431) = ( 0.3333333 0.5773503 0.2089120), wk = 0.0021739 k( 432) = ( 0.3333333 0.5773503 0.2193576), wk = 0.0021739 k( 433) = ( 0.3333333 0.5773503 0.2298032), wk = 0.0021739 k( 434) = ( 0.3333333 0.5773503 0.2402488), wk = 0.0021739 k( 435) = ( 0.3333333 0.5773503 0.2506944), wk = 0.0021739 k( 436) = ( 0.3333333 0.5773503 0.2611400), wk = 0.0021739 k( 437) = ( 0.3333333 0.5773503 0.2715856), wk = 0.0021739 k( 438) = ( 0.3333333 0.5773503 0.2820312), wk = 0.0021739 k( 439) = ( 0.3333333 0.5773503 0.2924768), wk = 0.0021739 k( 440) = ( 0.3333333 0.5773503 0.3029224), wk = 0.0021739 k( 441) = ( 0.3333333 0.5773503 0.3133680), wk = 0.0021739 k( 442) = ( 0.3333333 0.5773503 0.3238135), wk = 0.0021739 k( 443) = ( 0.3333333 0.5773503 0.3342591), wk = 0.0021739 k( 444) = ( 0.3333333 0.5773503 0.3447047), wk = 0.0021739 k( 445) = ( 0.3333333 0.5773503 0.3551503), wk = 0.0021739 k( 446) = ( 0.3333333 0.5773503 0.3655959), wk = 0.0021739 k( 447) = ( 0.3333333 0.5773503 0.3760415), wk = 0.0021739 k( 448) = ( 0.3333333 0.5773503 0.3864871), wk = 0.0021739 k( 449) = ( 0.3333333 0.5773503 0.3969327), wk = 0.0021739 k( 450) = ( 0.3333333 0.5773503 0.4073783), wk = 0.0021739 k( 451) = ( 0.3333333 0.5773503 0.4178239), wk = 0.0021739 k( 452) = ( 0.3333333 0.5773503 0.4282695), wk = 0.0021739 k( 453) = ( 0.3333333 0.5773503 0.4387151), wk = 0.0021739 k( 454) = ( 0.3333333 0.5773503 0.4491607), wk = 0.0021739 k( 455) = ( 0.3333333 0.5773503 0.4596063), wk = 0.0021739 k( 456) = ( 0.3333333 0.5773503 0.4700519), wk = 0.0021739 k( 457) = ( 0.3333333 0.5773503 0.4804975), wk = 0.0021739 k( 458) = ( 0.3333333 0.5773503 0.4909431), wk = 0.0021739 k( 459) = ( 0.3333333 0.5773503 0.5013887), wk = 0.0021739 k( 460) = ( 0.3333333 0.5773503 0.5118343), wk = 0.0021739 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0089286 -0.0000000 0.0000000), wk = 0.0021739 k( 3) = ( 0.0178571 -0.0000000 0.0000000), wk = 0.0021739 k( 4) = ( 0.0267857 0.0000000 0.0000000), wk = 0.0021739 k( 5) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0021739 k( 6) = ( 0.0446429 0.0000000 0.0000000), wk = 0.0021739 k( 7) = ( 0.0535714 -0.0000000 0.0000000), wk = 0.0021739 k( 8) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0021739 k( 9) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0021739 k( 10) = ( 0.0803571 0.0000000 0.0000000), wk = 0.0021739 k( 11) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0021739 k( 12) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0021739 k( 13) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0021739 k( 14) = ( 0.1160714 0.0000000 -0.0000000), wk = 0.0021739 k( 15) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0021739 k( 16) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0021739 k( 17) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0021739 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0021739 k( 19) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0021739 k( 20) = ( 0.1696429 0.0000000 0.0000000), wk = 0.0021739 k( 21) = ( 0.1785714 0.0000000 -0.0000000), wk = 0.0021739 k( 22) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0021739 k( 23) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0021739 k( 24) = ( 0.2053571 0.0000000 0.0000000), wk = 0.0021739 k( 25) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0021739 k( 26) = ( 0.2232143 0.0000000 0.0000000), wk = 0.0021739 k( 27) = ( 0.2321429 0.0000000 -0.0000000), wk = 0.0021739 k( 28) = ( 0.2410714 0.0000000 0.0000000), wk = 0.0021739 k( 29) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0021739 k( 30) = ( 0.2589286 0.0000000 -0.0000000), wk = 0.0021739 k( 31) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0021739 k( 32) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0021739 k( 33) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0021739 k( 34) = ( 0.2946429 0.0000000 0.0000000), wk = 0.0021739 k( 35) = ( 0.3035714 -0.0000000 0.0000000), wk = 0.0021739 k( 36) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0021739 k( 37) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0021739 k( 38) = ( 0.3303571 0.0000000 0.0000000), wk = 0.0021739 k( 39) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0021739 k( 40) = ( 0.3482143 0.0000000 0.0000000), wk = 0.0021739 k( 41) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0021739 k( 42) = ( 0.3660714 0.0000000 0.0000000), wk = 0.0021739 k( 43) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0021739 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0021739 k( 45) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0021739 k( 46) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0021739 k( 47) = ( 0.4107143 0.0000000 -0.0000000), wk = 0.0021739 k( 48) = ( 0.4196429 0.0000000 0.0000000), wk = 0.0021739 k( 49) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0021739 k( 50) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0021739 k( 51) = ( 0.4464286 0.0000000 -0.0000000), wk = 0.0021739 k( 52) = ( 0.4553571 0.0000000 0.0000000), wk = 0.0021739 k( 53) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0021739 k( 54) = ( 0.4732143 0.0000000 0.0000000), wk = 0.0021739 k( 55) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0021739 k( 56) = ( 0.4910714 0.0000000 -0.0000000), wk = 0.0021739 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 59) = ( 0.4947917 0.0104167 0.0000000), wk = 0.0021739 k( 60) = ( 0.4895833 0.0208333 -0.0000000), wk = 0.0021739 k( 61) = ( 0.4843750 0.0312500 0.0000000), wk = 0.0021739 k( 62) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0021739 k( 63) = ( 0.4739583 0.0520833 -0.0000000), wk = 0.0021739 k( 64) = ( 0.4687500 0.0625000 0.0000000), wk = 0.0021739 k( 65) = ( 0.4635417 0.0729167 0.0000000), wk = 0.0021739 k( 66) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0021739 k( 67) = ( 0.4531250 0.0937500 0.0000000), wk = 0.0021739 k( 68) = ( 0.4479167 0.1041667 0.0000000), wk = 0.0021739 k( 69) = ( 0.4427083 0.1145833 0.0000000), wk = 0.0021739 k( 70) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0021739 k( 71) = ( 0.4322917 0.1354167 0.0000000), wk = 0.0021739 k( 72) = ( 0.4270833 0.1458333 0.0000000), wk = 0.0021739 k( 73) = ( 0.4218750 0.1562500 0.0000000), wk = 0.0021739 k( 74) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0021739 k( 75) = ( 0.4114583 0.1770833 -0.0000000), wk = 0.0021739 k( 76) = ( 0.4062500 0.1875000 0.0000000), wk = 0.0021739 k( 77) = ( 0.4010417 0.1979167 0.0000000), wk = 0.0021739 k( 78) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0021739 k( 79) = ( 0.3906250 0.2187500 0.0000000), wk = 0.0021739 k( 80) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0021739 k( 81) = ( 0.3802083 0.2395833 0.0000000), wk = 0.0021739 k( 82) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0021739 k( 83) = ( 0.3697917 0.2604167 0.0000000), wk = 0.0021739 k( 84) = ( 0.3645833 0.2708333 -0.0000000), wk = 0.0021739 k( 85) = ( 0.3593750 0.2812500 -0.0000000), wk = 0.0021739 k( 86) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0021739 k( 87) = ( 0.3489583 0.3020833 0.0000000), wk = 0.0021739 k( 88) = ( 0.3437500 0.3125000 0.0000000), wk = 0.0021739 k( 89) = ( 0.3385417 0.3229167 0.0000000), wk = 0.0021739 k( 90) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021739 k( 91) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021739 k( 92) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0021739 k( 93) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0021739 k( 94) = ( 0.3177083 0.3177083 0.0000000), wk = 0.0021739 k( 95) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0021739 k( 96) = ( 0.3072917 0.3072917 0.0000000), wk = 0.0021739 k( 97) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0021739 k( 98) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0021739 k( 99) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0021739 k( 100) = ( 0.2864583 0.2864583 0.0000000), wk = 0.0021739 k( 101) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0021739 k( 102) = ( 0.2760417 0.2760417 0.0000000), wk = 0.0021739 k( 103) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0021739 k( 104) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0021739 k( 105) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0021739 k( 106) = ( 0.2552083 0.2552083 0.0000000), wk = 0.0021739 k( 107) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0021739 k( 108) = ( 0.2447917 0.2447917 0.0000000), wk = 0.0021739 k( 109) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0021739 k( 110) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0021739 k( 111) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0021739 k( 112) = ( 0.2239583 0.2239583 0.0000000), wk = 0.0021739 k( 113) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0021739 k( 114) = ( 0.2135417 0.2135417 0.0000000), wk = 0.0021739 k( 115) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0021739 k( 116) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0021739 k( 117) = ( 0.1979167 0.1979167 0.0000000), wk = 0.0021739 k( 118) = ( 0.1927083 0.1927083 0.0000000), wk = 0.0021739 k( 119) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0021739 k( 120) = ( 0.1822917 0.1822917 0.0000000), wk = 0.0021739 k( 121) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0021739 k( 122) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0021739 k( 123) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0021739 k( 124) = ( 0.1614583 0.1614583 0.0000000), wk = 0.0021739 k( 125) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0021739 k( 126) = ( 0.1510417 0.1510417 0.0000000), wk = 0.0021739 k( 127) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0021739 k( 128) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0021739 k( 129) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0021739 k( 130) = ( 0.1302083 0.1302083 0.0000000), wk = 0.0021739 k( 131) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0021739 k( 132) = ( 0.1197917 0.1197917 -0.0000000), wk = 0.0021739 k( 133) = ( 0.1145833 0.1145833 0.0000000), wk = 0.0021739 k( 134) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0021739 k( 135) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0021739 k( 136) = ( 0.0989583 0.0989583 0.0000000), wk = 0.0021739 k( 137) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0021739 k( 138) = ( 0.0885417 0.0885417 -0.0000000), wk = 0.0021739 k( 139) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0021739 k( 140) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0021739 k( 141) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0021739 k( 142) = ( 0.0677083 0.0677083 0.0000000), wk = 0.0021739 k( 143) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0021739 k( 144) = ( 0.0572917 0.0572917 -0.0000000), wk = 0.0021739 k( 145) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0021739 k( 146) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0021739 k( 147) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0021739 k( 148) = ( 0.0364583 0.0364583 0.0000000), wk = 0.0021739 k( 149) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0021739 k( 150) = ( 0.0260417 0.0260417 0.0000000), wk = 0.0021739 k( 151) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0021739 k( 152) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0021739 k( 153) = ( 0.0104167 0.0104167 0.0000000), wk = 0.0021739 k( 154) = ( 0.0052083 0.0052083 0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.0000000 0.0102041), wk = 0.0021739 k( 158) = ( 0.0000000 0.0000000 0.0204082), wk = 0.0021739 k( 159) = ( 0.0000000 0.0000000 0.0306122), wk = 0.0021739 k( 160) = ( 0.0000000 0.0000000 0.0408163), wk = 0.0021739 k( 161) = ( 0.0000000 0.0000000 0.0510204), wk = 0.0021739 k( 162) = ( 0.0000000 0.0000000 0.0612245), wk = 0.0021739 k( 163) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0021739 k( 164) = ( 0.0000000 0.0000000 0.0816327), wk = 0.0021739 k( 165) = ( 0.0000000 0.0000000 0.0918367), wk = 0.0021739 k( 166) = ( 0.0000000 0.0000000 0.1020408), wk = 0.0021739 k( 167) = ( 0.0000000 0.0000000 0.1122449), wk = 0.0021739 k( 168) = ( 0.0000000 0.0000000 0.1224490), wk = 0.0021739 k( 169) = ( 0.0000000 0.0000000 0.1326531), wk = 0.0021739 k( 170) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0021739 k( 171) = ( 0.0000000 0.0000000 0.1530612), wk = 0.0021739 k( 172) = ( 0.0000000 0.0000000 0.1632653), wk = 0.0021739 k( 173) = ( 0.0000000 0.0000000 0.1734694), wk = 0.0021739 k( 174) = ( 0.0000000 0.0000000 0.1836735), wk = 0.0021739 k( 175) = ( 0.0000000 0.0000000 0.1938776), wk = 0.0021739 k( 176) = ( 0.0000000 0.0000000 0.2040816), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.2244898), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.2346939), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.2448980), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.2551020), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.2653061), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.2755102), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.2959184), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.3061224), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.3163265), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.3265306), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.3367347), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.3469388), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.3673469), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.3775510), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.3877551), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.3979592), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.4081633), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.4183674), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.4387755), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.4489796), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.4591837), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.4693878), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.4795918), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.4897959), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 207) = ( 0.0089286 -0.0000000 0.5000000), wk = 0.0021739 k( 208) = ( 0.0178571 -0.0000000 0.5000000), wk = 0.0021739 k( 209) = ( 0.0267857 0.0000000 0.5000000), wk = 0.0021739 k( 210) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0021739 k( 211) = ( 0.0446429 0.0000000 0.5000000), wk = 0.0021739 k( 212) = ( 0.0535714 -0.0000000 0.5000000), wk = 0.0021739 k( 213) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0021739 k( 214) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0021739 k( 215) = ( 0.0803571 0.0000000 0.5000000), wk = 0.0021739 k( 216) = ( 0.0892857 0.0000000 0.5000000), wk = 0.0021739 k( 217) = ( 0.0982143 0.0000000 0.5000000), wk = 0.0021739 k( 218) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0021739 k( 219) = ( 0.1160714 0.0000000 0.5000000), wk = 0.0021739 k( 220) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0021739 k( 221) = ( 0.1339286 0.0000000 0.5000000), wk = 0.0021739 k( 222) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0021739 k( 223) = ( 0.1517857 0.0000000 0.5000000), wk = 0.0021739 k( 224) = ( 0.1607143 0.0000000 0.5000000), wk = 0.0021739 k( 225) = ( 0.1696429 0.0000000 0.5000000), wk = 0.0021739 k( 226) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0021739 k( 227) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0021739 k( 228) = ( 0.1964286 0.0000000 0.5000000), wk = 0.0021739 k( 229) = ( 0.2053571 0.0000000 0.5000000), wk = 0.0021739 k( 230) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0021739 k( 231) = ( 0.2232143 0.0000000 0.5000000), wk = 0.0021739 k( 232) = ( 0.2321429 0.0000000 0.5000000), wk = 0.0021739 k( 233) = ( 0.2410714 0.0000000 0.5000000), wk = 0.0021739 k( 234) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0021739 k( 235) = ( 0.2589286 0.0000000 0.5000000), wk = 0.0021739 k( 236) = ( 0.2678571 0.0000000 0.5000000), wk = 0.0021739 k( 237) = ( 0.2767857 0.0000000 0.5000000), wk = 0.0021739 k( 238) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0021739 k( 239) = ( 0.2946429 0.0000000 0.5000000), wk = 0.0021739 k( 240) = ( 0.3035714 -0.0000000 0.5000000), wk = 0.0021739 k( 241) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0021739 k( 242) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0021739 k( 243) = ( 0.3303571 0.0000000 0.5000000), wk = 0.0021739 k( 244) = ( 0.3392857 0.0000000 0.5000000), wk = 0.0021739 k( 245) = ( 0.3482143 0.0000000 0.5000000), wk = 0.0021739 k( 246) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0021739 k( 247) = ( 0.3660714 0.0000000 0.5000000), wk = 0.0021739 k( 248) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0021739 k( 249) = ( 0.3839286 0.0000000 0.5000000), wk = 0.0021739 k( 250) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0021739 k( 251) = ( 0.4017857 0.0000000 0.5000000), wk = 0.0021739 k( 252) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0021739 k( 253) = ( 0.4196429 0.0000000 0.5000000), wk = 0.0021739 k( 254) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0021739 k( 255) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0021739 k( 256) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0021739 k( 257) = ( 0.4553571 0.0000000 0.5000000), wk = 0.0021739 k( 258) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0021739 k( 259) = ( 0.4732143 0.0000000 0.5000000), wk = 0.0021739 k( 260) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0021739 k( 261) = ( 0.4910714 0.0000000 0.5000000), wk = 0.0021739 k( 262) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 264) = ( 0.4947917 0.0104167 0.5000000), wk = 0.0021739 k( 265) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0021739 k( 266) = ( 0.4843750 0.0312500 0.5000000), wk = 0.0021739 k( 267) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0021739 k( 268) = ( 0.4739583 0.0520833 0.5000000), wk = 0.0021739 k( 269) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0021739 k( 270) = ( 0.4635417 0.0729167 0.5000000), wk = 0.0021739 k( 271) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0021739 k( 272) = ( 0.4531250 0.0937500 0.5000000), wk = 0.0021739 k( 273) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0021739 k( 274) = ( 0.4427083 0.1145833 0.5000000), wk = 0.0021739 k( 275) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0021739 k( 276) = ( 0.4322917 0.1354167 0.5000000), wk = 0.0021739 k( 277) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0021739 k( 278) = ( 0.4218750 0.1562500 0.5000000), wk = 0.0021739 k( 279) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0021739 k( 280) = ( 0.4114583 0.1770833 0.5000000), wk = 0.0021739 k( 281) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0021739 k( 282) = ( 0.4010417 0.1979167 0.5000000), wk = 0.0021739 k( 283) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0021739 k( 284) = ( 0.3906250 0.2187500 0.5000000), wk = 0.0021739 k( 285) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0021739 k( 286) = ( 0.3802083 0.2395833 0.5000000), wk = 0.0021739 k( 287) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0021739 k( 288) = ( 0.3697917 0.2604167 0.5000000), wk = 0.0021739 k( 289) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0021739 k( 290) = ( 0.3593750 0.2812500 0.5000000), wk = 0.0021739 k( 291) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0021739 k( 292) = ( 0.3489583 0.3020833 0.5000000), wk = 0.0021739 k( 293) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0021739 k( 294) = ( 0.3385417 0.3229167 0.5000000), wk = 0.0021739 k( 295) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021739 k( 296) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021739 k( 297) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0021739 k( 298) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0021739 k( 299) = ( 0.3177083 0.3177083 0.5000000), wk = 0.0021739 k( 300) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0021739 k( 301) = ( 0.3072917 0.3072917 0.5000000), wk = 0.0021739 k( 302) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0021739 k( 303) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0021739 k( 304) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0021739 k( 305) = ( 0.2864583 0.2864583 0.5000000), wk = 0.0021739 k( 306) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0021739 k( 307) = ( 0.2760417 0.2760417 0.5000000), wk = 0.0021739 k( 308) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0021739 k( 309) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0021739 k( 310) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0021739 k( 311) = ( 0.2552083 0.2552083 0.5000000), wk = 0.0021739 k( 312) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0021739 k( 313) = ( 0.2447917 0.2447917 0.5000000), wk = 0.0021739 k( 314) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0021739 k( 315) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0021739 k( 316) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0021739 k( 317) = ( 0.2239583 0.2239583 0.5000000), wk = 0.0021739 k( 318) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0021739 k( 319) = ( 0.2135417 0.2135417 0.5000000), wk = 0.0021739 k( 320) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0021739 k( 321) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0021739 k( 322) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0021739 k( 323) = ( 0.1927083 0.1927083 0.5000000), wk = 0.0021739 k( 324) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0021739 k( 325) = ( 0.1822917 0.1822917 0.5000000), wk = 0.0021739 k( 326) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0021739 k( 327) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0021739 k( 328) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0021739 k( 329) = ( 0.1614583 0.1614583 0.5000000), wk = 0.0021739 k( 330) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0021739 k( 331) = ( 0.1510417 0.1510417 0.5000000), wk = 0.0021739 k( 332) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0021739 k( 333) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0021739 k( 334) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0021739 k( 335) = ( 0.1302083 0.1302083 0.5000000), wk = 0.0021739 k( 336) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0021739 k( 337) = ( 0.1197917 0.1197917 0.5000000), wk = 0.0021739 k( 338) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0021739 k( 339) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0021739 k( 340) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0021739 k( 341) = ( 0.0989583 0.0989583 0.5000000), wk = 0.0021739 k( 342) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0021739 k( 343) = ( 0.0885417 0.0885417 0.5000000), wk = 0.0021739 k( 344) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0021739 k( 345) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0021739 k( 346) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0021739 k( 347) = ( 0.0677083 0.0677083 0.5000000), wk = 0.0021739 k( 348) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0021739 k( 349) = ( 0.0572917 0.0572917 0.5000000), wk = 0.0021739 k( 350) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0021739 k( 351) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0021739 k( 352) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0021739 k( 353) = ( 0.0364583 0.0364583 0.5000000), wk = 0.0021739 k( 354) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0021739 k( 355) = ( 0.0260417 0.0260417 0.5000000), wk = 0.0021739 k( 356) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0021739 k( 357) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0021739 k( 358) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0021739 k( 359) = ( 0.0052083 0.0052083 0.5000000), wk = 0.0021739 k( 360) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 361) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 362) = ( 0.5000000 0.0000000 0.4897959), wk = 0.0021739 k( 363) = ( 0.5000000 0.0000000 0.4795918), wk = 0.0021739 k( 364) = ( 0.5000000 0.0000000 0.4693878), wk = 0.0021739 k( 365) = ( 0.5000000 0.0000000 0.4591837), wk = 0.0021739 k( 366) = ( 0.5000000 0.0000000 0.4489796), wk = 0.0021739 k( 367) = ( 0.5000000 0.0000000 0.4387755), wk = 0.0021739 k( 368) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0021739 k( 369) = ( 0.5000000 0.0000000 0.4183674), wk = 0.0021739 k( 370) = ( 0.5000000 0.0000000 0.4081633), wk = 0.0021739 k( 371) = ( 0.5000000 0.0000000 0.3979592), wk = 0.0021739 k( 372) = ( 0.5000000 0.0000000 0.3877551), wk = 0.0021739 k( 373) = ( 0.5000000 0.0000000 0.3775510), wk = 0.0021739 k( 374) = ( 0.5000000 0.0000000 0.3673469), wk = 0.0021739 k( 375) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0021739 k( 376) = ( 0.5000000 0.0000000 0.3469388), wk = 0.0021739 k( 377) = ( 0.5000000 0.0000000 0.3367347), wk = 0.0021739 k( 378) = ( 0.5000000 0.0000000 0.3265306), wk = 0.0021739 k( 379) = ( 0.5000000 0.0000000 0.3163265), wk = 0.0021739 k( 380) = ( 0.5000000 0.0000000 0.3061224), wk = 0.0021739 k( 381) = ( 0.5000000 0.0000000 0.2959184), wk = 0.0021739 k( 382) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0021739 k( 383) = ( 0.5000000 0.0000000 0.2755102), wk = 0.0021739 k( 384) = ( 0.5000000 0.0000000 0.2653061), wk = 0.0021739 k( 385) = ( 0.5000000 0.0000000 0.2551020), wk = 0.0021739 k( 386) = ( 0.5000000 0.0000000 0.2448980), wk = 0.0021739 k( 387) = ( 0.5000000 0.0000000 0.2346939), wk = 0.0021739 k( 388) = ( 0.5000000 0.0000000 0.2244898), wk = 0.0021739 k( 389) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0021739 k( 390) = ( 0.5000000 0.0000000 0.2040816), wk = 0.0021739 k( 391) = ( 0.5000000 0.0000000 0.1938776), wk = 0.0021739 k( 392) = ( 0.5000000 0.0000000 0.1836735), wk = 0.0021739 k( 393) = ( 0.5000000 0.0000000 0.1734694), wk = 0.0021739 k( 394) = ( 0.5000000 0.0000000 0.1632653), wk = 0.0021739 k( 395) = ( 0.5000000 0.0000000 0.1530612), wk = 0.0021739 k( 396) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0021739 k( 397) = ( 0.5000000 0.0000000 0.1326531), wk = 0.0021739 k( 398) = ( 0.5000000 0.0000000 0.1224490), wk = 0.0021739 k( 399) = ( 0.5000000 0.0000000 0.1122449), wk = 0.0021739 k( 400) = ( 0.5000000 0.0000000 0.1020408), wk = 0.0021739 k( 401) = ( 0.5000000 0.0000000 0.0918367), wk = 0.0021739 k( 402) = ( 0.5000000 0.0000000 0.0816327), wk = 0.0021739 k( 403) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0021739 k( 404) = ( 0.5000000 0.0000000 0.0612245), wk = 0.0021739 k( 405) = ( 0.5000000 0.0000000 0.0510204), wk = 0.0021739 k( 406) = ( 0.5000000 0.0000000 0.0408163), wk = 0.0021739 k( 407) = ( 0.5000000 0.0000000 0.0306122), wk = 0.0021739 k( 408) = ( 0.5000000 0.0000000 0.0204082), wk = 0.0021739 k( 409) = ( 0.5000000 0.0000000 0.0102041), wk = 0.0021739 k( 410) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 411) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021739 k( 412) = ( 0.3333333 0.3333333 0.0102041), wk = 0.0021739 k( 413) = ( 0.3333333 0.3333333 0.0204082), wk = 0.0021739 k( 414) = ( 0.3333333 0.3333333 0.0306122), wk = 0.0021739 k( 415) = ( 0.3333333 0.3333333 0.0408163), wk = 0.0021739 k( 416) = ( 0.3333333 0.3333333 0.0510204), wk = 0.0021739 k( 417) = ( 0.3333333 0.3333333 0.0612245), wk = 0.0021739 k( 418) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0021739 k( 419) = ( 0.3333333 0.3333333 0.0816326), wk = 0.0021739 k( 420) = ( 0.3333333 0.3333333 0.0918367), wk = 0.0021739 k( 421) = ( 0.3333333 0.3333333 0.1020408), wk = 0.0021739 k( 422) = ( 0.3333333 0.3333333 0.1122449), wk = 0.0021739 k( 423) = ( 0.3333333 0.3333333 0.1224490), wk = 0.0021739 k( 424) = ( 0.3333333 0.3333333 0.1326531), wk = 0.0021739 k( 425) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0021739 k( 426) = ( 0.3333333 0.3333333 0.1530612), wk = 0.0021739 k( 427) = ( 0.3333333 0.3333333 0.1632653), wk = 0.0021739 k( 428) = ( 0.3333333 0.3333333 0.1734694), wk = 0.0021739 k( 429) = ( 0.3333333 0.3333333 0.1836735), wk = 0.0021739 k( 430) = ( 0.3333333 0.3333333 0.1938776), wk = 0.0021739 k( 431) = ( 0.3333333 0.3333333 0.2040816), wk = 0.0021739 k( 432) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0021739 k( 433) = ( 0.3333333 0.3333333 0.2244898), wk = 0.0021739 k( 434) = ( 0.3333333 0.3333333 0.2346939), wk = 0.0021739 k( 435) = ( 0.3333333 0.3333333 0.2448980), wk = 0.0021739 k( 436) = ( 0.3333333 0.3333333 0.2551020), wk = 0.0021739 k( 437) = ( 0.3333333 0.3333333 0.2653061), wk = 0.0021739 k( 438) = ( 0.3333333 0.3333333 0.2755102), wk = 0.0021739 k( 439) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0021739 k( 440) = ( 0.3333333 0.3333333 0.2959184), wk = 0.0021739 k( 441) = ( 0.3333333 0.3333333 0.3061224), wk = 0.0021739 k( 442) = ( 0.3333333 0.3333333 0.3163265), wk = 0.0021739 k( 443) = ( 0.3333333 0.3333333 0.3265306), wk = 0.0021739 k( 444) = ( 0.3333333 0.3333333 0.3367347), wk = 0.0021739 k( 445) = ( 0.3333333 0.3333333 0.3469388), wk = 0.0021739 k( 446) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0021739 k( 447) = ( 0.3333333 0.3333333 0.3673469), wk = 0.0021739 k( 448) = ( 0.3333333 0.3333333 0.3775510), wk = 0.0021739 k( 449) = ( 0.3333333 0.3333333 0.3877551), wk = 0.0021739 k( 450) = ( 0.3333333 0.3333333 0.3979592), wk = 0.0021739 k( 451) = ( 0.3333333 0.3333333 0.4081633), wk = 0.0021739 k( 452) = ( 0.3333333 0.3333333 0.4183674), wk = 0.0021739 k( 453) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0021739 k( 454) = ( 0.3333333 0.3333333 0.4387755), wk = 0.0021739 k( 455) = ( 0.3333333 0.3333333 0.4489796), wk = 0.0021739 k( 456) = ( 0.3333333 0.3333333 0.4591837), wk = 0.0021739 k( 457) = ( 0.3333333 0.3333333 0.4693878), wk = 0.0021739 k( 458) = ( 0.3333333 0.3333333 0.4795918), wk = 0.0021739 k( 459) = ( 0.3333333 0.3333333 0.4897959), wk = 0.0021739 k( 460) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021739 Dense grid: 47249 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 10281 G-vectors FFT dimensions: ( 30, 30, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 60, 26) NL pseudopotentials 0.03 Mb ( 30, 68) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 984) G-vector shells 0.00 Mb ( 495) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 60, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.05 Mb ( 68, 2, 26) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./TiS.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 41.7 secs Computing kpt #: 2 total cpu time spent up to now is 42.0 secs Computing kpt #: 3 total cpu time spent up to now is 42.2 secs Computing kpt #: 4 total cpu time spent up to now is 42.4 secs Computing kpt #: 5 total cpu time spent up to now is 42.9 secs Computing kpt #: 6 total cpu time spent up to now is 43.1 secs Computing kpt #: 7 total cpu time spent up to now is 43.4 secs Computing kpt #: 8 total cpu time spent up to now is 43.6 secs Computing kpt #: 9 total cpu time spent up to now is 43.8 secs Computing kpt #: 10 total cpu time spent up to now is 44.1 secs Computing kpt #: 11 total cpu time spent up to now is 44.3 secs Computing kpt #: 12 total cpu time spent up to now is 44.5 secs Computing kpt #: 13 total cpu time spent up to now is 44.8 secs Computing kpt #: 14 total cpu time spent up to now is 45.0 secs Computing kpt #: 15 total cpu time spent up to now is 45.2 secs Computing kpt #: 16 total cpu time spent up to now is 45.5 secs Computing kpt #: 17 total cpu time spent up to now is 45.7 secs Computing kpt #: 18 total cpu time spent up to now is 45.9 secs Computing kpt #: 19 total cpu time spent up to now is 46.2 secs Computing kpt #: 20 total cpu time spent up to now is 46.4 secs Computing kpt #: 21 total cpu time spent up to now is 46.6 secs Computing kpt #: 22 total cpu time spent up to now is 46.8 secs Computing kpt #: 23 total cpu time spent up to now is 47.1 secs Computing kpt #: 24 total cpu time spent up to now is 47.3 secs Computing kpt #: 25 total cpu time spent up to now is 47.5 secs Computing kpt #: 26 total cpu time spent up to now is 47.8 secs Computing kpt #: 27 total cpu time spent up to now is 48.0 secs Computing kpt #: 28 total cpu time spent up to now is 48.2 secs Computing kpt #: 29 total cpu time spent up to now is 48.5 secs Computing kpt #: 30 total cpu time spent up to now is 48.7 secs Computing kpt #: 31 total cpu time spent up to now is 48.9 secs Computing kpt #: 32 total cpu time spent up to now is 49.2 secs Computing kpt #: 33 total cpu time spent up to now is 49.4 secs Computing kpt #: 34 total cpu time spent up to now is 49.6 secs Computing kpt #: 35 total cpu time spent up to now is 49.9 secs Computing kpt #: 36 total cpu time spent up to now is 50.1 secs Computing kpt #: 37 total cpu time spent up to now is 50.3 secs Computing kpt #: 38 total cpu time spent up to now is 50.6 secs Computing kpt #: 39 total cpu time spent up to now is 50.8 secs Computing kpt #: 40 total cpu time spent up to now is 51.0 secs Computing kpt #: 41 total cpu time spent up to now is 51.3 secs Computing kpt #: 42 total cpu time spent up to now is 51.5 secs Computing kpt #: 43 total cpu time spent up to now is 51.7 secs Computing kpt #: 44 total cpu time spent up to now is 51.9 secs Computing kpt #: 45 total cpu time spent up to now is 52.2 secs Computing kpt #: 46 total cpu time spent up to now is 52.4 secs Computing kpt #: 47 total cpu time spent up to now is 52.6 secs Computing kpt #: 48 total cpu time spent up to now is 52.9 secs Computing kpt #: 49 total cpu time spent up to now is 53.1 secs Computing kpt #: 50 total cpu time spent up to now is 53.3 secs Computing kpt #: 51 total cpu time spent up to now is 53.6 secs Computing kpt #: 52 total cpu time spent up to now is 53.8 secs Computing kpt #: 53 total cpu time spent up to now is 54.0 secs Computing kpt #: 54 total cpu time spent up to now is 54.3 secs Computing kpt #: 55 total cpu time spent up to now is 54.5 secs Computing kpt #: 56 total cpu time spent up to now is 54.7 secs Computing kpt #: 57 total cpu time spent up to now is 55.0 secs Computing kpt #: 58 total cpu time spent up to now is 55.2 secs Computing kpt #: 59 total cpu time spent up to now is 55.5 secs Computing kpt #: 60 total cpu time spent up to now is 55.7 secs Computing kpt #: 61 total cpu time spent up to now is 56.0 secs Computing kpt #: 62 total cpu time spent up to now is 56.3 secs Computing kpt #: 63 total cpu time spent up to now is 56.7 secs Computing kpt #: 64 total cpu time spent up to now is 56.9 secs Computing kpt #: 65 total cpu time spent up to now is 57.3 secs Computing kpt #: 66 total cpu time spent up to now is 57.6 secs Computing kpt #: 67 total cpu time spent up to now is 57.9 secs Computing kpt #: 68 total cpu time spent up to now is 58.1 secs Computing kpt #: 69 total cpu time spent up to now is 59.2 secs Computing kpt #: 70 total cpu time spent up to now is 59.4 secs Computing kpt #: 71 total cpu time spent up to now is 59.6 secs Computing kpt #: 72 total cpu time spent up to now is 59.9 secs Computing kpt #: 73 total cpu time spent up to now is 60.3 secs Computing kpt #: 74 total cpu time spent up to now is 60.8 secs Computing kpt #: 75 total cpu time spent up to now is 61.0 secs Computing kpt #: 76 total cpu time spent up to now is 61.3 secs Computing kpt #: 77 total cpu time spent up to now is 61.6 secs Computing kpt #: 78 total cpu time spent up to now is 62.1 secs Computing kpt #: 79 total cpu time spent up to now is 62.4 secs Computing kpt #: 80 total cpu time spent up to now is 62.6 secs Computing kpt #: 81 total cpu time spent up to now is 62.8 secs Computing kpt #: 82 total cpu time spent up to now is 63.0 secs Computing kpt #: 83 total cpu time spent up to now is 63.3 secs Computing kpt #: 84 total cpu time spent up to now is 63.5 secs Computing kpt #: 85 total cpu time spent up to now is 63.7 secs Computing kpt #: 86 total cpu time spent up to now is 63.9 secs Computing kpt #: 87 total cpu time spent up to now is 64.1 secs Computing kpt #: 88 total cpu time spent up to now is 64.3 secs Computing kpt #: 89 total cpu time spent up to now is 64.5 secs Computing kpt #: 90 total cpu time spent up to now is 64.7 secs Computing kpt #: 91 total cpu time spent up to now is 65.0 secs Computing kpt #: 92 total cpu time spent up to now is 65.2 secs Computing kpt #: 93 total cpu time spent up to now is 65.4 secs Computing kpt #: 94 total cpu time spent up to now is 65.6 secs Computing kpt #: 95 total cpu time spent up to now is 65.8 secs Computing kpt #: 96 total cpu time spent up to now is 66.0 secs Computing kpt #: 97 total cpu time spent up to now is 66.3 secs Computing kpt #: 98 total cpu time spent up to now is 66.5 secs Computing kpt #: 99 total cpu time spent up to now is 66.7 secs Computing kpt #: 100 total cpu time spent up to now is 66.9 secs Computing kpt #: 101 total cpu time spent up to now is 67.2 secs Computing kpt #: 102 total cpu time spent up to now is 67.5 secs Computing kpt #: 103 total cpu time spent up to now is 67.7 secs Computing kpt #: 104 total cpu time spent up to now is 68.0 secs Computing kpt #: 105 total cpu time spent up to now is 68.2 secs Computing kpt #: 106 total cpu time spent up to now is 68.5 secs Computing kpt #: 107 total cpu time spent up to now is 68.8 secs Computing kpt #: 108 total cpu time spent up to now is 69.0 secs Computing kpt #: 109 total cpu time spent up to now is 69.6 secs Computing kpt #: 110 total cpu time spent up to now is 69.8 secs Computing kpt #: 111 total cpu time spent up to now is 70.0 secs Computing kpt #: 112 total cpu time spent up to now is 70.4 secs Computing kpt #: 113 total cpu time spent up to now is 70.7 secs Computing kpt #: 114 total cpu time spent up to now is 71.7 secs Computing kpt #: 115 total cpu time spent up to now is 71.9 secs Computing kpt #: 116 total cpu time spent up to now is 72.1 secs Computing kpt #: 117 total cpu time spent up to now is 72.4 secs Computing kpt #: 118 total cpu time spent up to now is 72.6 secs Computing kpt #: 119 total cpu time spent up to now is 72.8 secs Computing kpt #: 120 total cpu time spent up to now is 73.1 secs Computing kpt #: 121 total cpu time spent up to now is 73.3 secs Computing kpt #: 122 total cpu time spent up to now is 73.5 secs Computing kpt #: 123 total cpu time spent up to now is 73.8 secs Computing kpt #: 124 total cpu time spent up to now is 74.0 secs Computing kpt #: 125 total cpu time spent up to now is 74.4 secs Computing kpt #: 126 total cpu time spent up to now is 74.8 secs Computing kpt #: 127 total cpu time spent up to now is 75.0 secs Computing kpt #: 128 total cpu time spent up to now is 75.3 secs Computing kpt #: 129 total cpu time spent up to now is 75.5 secs Computing kpt #: 130 total cpu time spent up to now is 75.9 secs Computing kpt #: 131 total cpu time spent up to now is 76.1 secs Computing kpt #: 132 total cpu time spent up to now is 76.4 secs Computing kpt #: 133 total cpu time spent up to now is 76.7 secs Computing kpt #: 134 total cpu time spent up to now is 76.9 secs Computing kpt #: 135 total cpu time spent up to now is 77.2 secs Computing kpt #: 136 total cpu time spent up to now is 77.5 secs Computing kpt #: 137 total cpu time spent up to now is 77.8 secs Computing kpt #: 138 total cpu time spent up to now is 78.1 secs Computing kpt #: 139 total cpu time spent up to now is 78.6 secs Computing kpt #: 140 total cpu time spent up to now is 78.8 secs Computing kpt #: 141 total cpu time spent up to now is 79.0 secs Computing kpt #: 142 total cpu time spent up to now is 79.3 secs Computing kpt #: 143 total cpu time spent up to now is 79.5 secs Computing kpt #: 144 total cpu time spent up to now is 79.7 secs Computing kpt #: 145 total cpu time spent up to now is 80.0 secs Computing kpt #: 146 total cpu time spent up to now is 80.2 secs Computing kpt #: 147 total cpu time spent up to now is 80.5 secs Computing kpt #: 148 total cpu time spent up to now is 80.7 secs Computing kpt #: 149 total cpu time spent up to now is 81.2 secs Computing kpt #: 150 total cpu time spent up to now is 81.9 secs Computing kpt #: 151 total cpu time spent up to now is 82.2 secs Computing kpt #: 152 total cpu time spent up to now is 82.6 secs Computing kpt #: 153 total cpu time spent up to now is 83.0 secs Computing kpt #: 154 total cpu time spent up to now is 83.3 secs Computing kpt #: 155 total cpu time spent up to now is 83.7 secs Computing kpt #: 156 total cpu time spent up to now is 84.1 secs Computing kpt #: 157 total cpu time spent up to now is 84.5 secs Computing kpt #: 158 total cpu time spent up to now is 85.2 secs Computing kpt #: 159 total cpu time spent up to now is 85.7 secs Computing kpt #: 160 total cpu time spent up to now is 86.0 secs Computing kpt #: 161 total cpu time spent up to now is 86.3 secs Computing kpt #: 162 total cpu time spent up to now is 86.5 secs Computing kpt #: 163 total cpu time spent up to now is 87.1 secs Computing kpt #: 164 total cpu time spent up to now is 87.3 secs Computing kpt #: 165 total cpu time spent up to now is 87.5 secs Computing kpt #: 166 total cpu time spent up to now is 87.8 secs Computing kpt #: 167 total cpu time spent up to now is 88.0 secs Computing kpt #: 168 total cpu time spent up to now is 88.2 secs Computing kpt #: 169 total cpu time spent up to now is 88.7 secs Computing kpt #: 170 total cpu time spent up to now is 89.0 secs Computing kpt #: 171 total cpu time spent up to now is 89.3 secs Computing kpt #: 172 total cpu time spent up to now is 89.5 secs Computing kpt #: 173 total cpu time spent up to now is 89.8 secs Computing kpt #: 174 total cpu time spent up to now is 90.5 secs Computing kpt #: 175 total cpu time spent up to now is 91.0 secs Computing kpt #: 176 total cpu time spent up to now is 91.3 secs Computing kpt #: 177 total cpu time spent up to now is 91.5 secs Computing kpt #: 178 total cpu time spent up to now is 91.8 secs Computing kpt #: 179 total cpu time spent up to now is 92.0 secs Computing kpt #: 180 total cpu time spent up to now is 92.2 secs Computing kpt #: 181 total cpu time spent up to now is 92.7 secs Computing kpt #: 182 total cpu time spent up to now is 92.9 secs Computing kpt #: 183 total cpu time spent up to now is 93.1 secs Computing kpt #: 184 total cpu time spent up to now is 93.3 secs Computing kpt #: 185 total cpu time spent up to now is 93.5 secs Computing kpt #: 186 total cpu time spent up to now is 93.8 secs Computing kpt #: 187 total cpu time spent up to now is 94.2 secs Computing kpt #: 188 total cpu time spent up to now is 94.4 secs Computing kpt #: 189 total cpu time spent up to now is 94.6 secs Computing kpt #: 190 total cpu time spent up to now is 94.8 secs Computing kpt #: 191 total cpu time spent up to now is 95.0 secs Computing kpt #: 192 total cpu time spent up to now is 95.6 secs Computing kpt #: 193 total cpu time spent up to now is 95.8 secs Computing kpt #: 194 total cpu time spent up to now is 96.7 secs Computing kpt #: 195 total cpu time spent up to now is 97.3 secs Computing kpt #: 196 total cpu time spent up to now is 97.7 secs Computing kpt #: 197 total cpu time spent up to now is 98.3 secs Computing kpt #: 198 total cpu time spent up to now is 99.1 secs Computing kpt #: 199 total cpu time spent up to now is 99.7 secs Computing kpt #: 200 total cpu time spent up to now is 100.2 secs Computing kpt #: 201 total cpu time spent up to now is 100.5 secs Computing kpt #: 202 total cpu time spent up to now is 101.1 secs Computing kpt #: 203 total cpu time spent up to now is 101.5 secs Computing kpt #: 204 total cpu time spent up to now is 101.8 secs Computing kpt #: 205 total cpu time spent up to now is 102.0 secs Computing kpt #: 206 total cpu time spent up to now is 102.3 secs Computing kpt #: 207 total cpu time spent up to now is 102.5 secs Computing kpt #: 208 total cpu time spent up to now is 102.7 secs Computing kpt #: 209 total cpu time spent up to now is 102.9 secs Computing kpt #: 210 total cpu time spent up to now is 103.1 secs Computing kpt #: 211 total cpu time spent up to now is 103.5 secs Computing kpt #: 212 total cpu time spent up to now is 103.7 secs Computing kpt #: 213 total cpu time spent up to now is 103.9 secs Computing kpt #: 214 total cpu time spent up to now is 104.2 secs Computing kpt #: 215 total cpu time spent up to now is 104.4 secs Computing kpt #: 216 total cpu time spent up to now is 104.6 secs Computing kpt #: 217 total cpu time spent up to now is 104.8 secs Computing kpt #: 218 total cpu time spent up to now is 105.0 secs Computing kpt #: 219 total cpu time spent up to now is 105.2 secs Computing kpt #: 220 total cpu time spent up to now is 105.4 secs Computing kpt #: 221 total cpu time spent up to now is 105.7 secs Computing kpt #: 222 total cpu time spent up to now is 105.9 secs Computing kpt #: 223 total cpu time spent up to now is 106.1 secs Computing kpt #: 224 total cpu time spent up to now is 106.3 secs Computing kpt #: 225 total cpu time spent up to now is 106.6 secs Computing kpt #: 226 total cpu time spent up to now is 106.9 secs Computing kpt #: 227 total cpu time spent up to now is 107.3 secs Computing kpt #: 228 total cpu time spent up to now is 107.6 secs Computing kpt #: 229 total cpu time spent up to now is 107.9 secs Computing kpt #: 230 total cpu time spent up to now is 108.1 secs Computing kpt #: 231 total cpu time spent up to now is 108.4 secs Computing kpt #: 232 total cpu time spent up to now is 108.8 secs Computing kpt #: 233 total cpu time spent up to now is 109.0 secs Computing kpt #: 234 total cpu time spent up to now is 109.2 secs Computing kpt #: 235 total cpu time spent up to now is 109.6 secs Computing kpt #: 236 total cpu time spent up to now is 109.9 secs Computing kpt #: 237 total cpu time spent up to now is 110.2 secs Computing kpt #: 238 total cpu time spent up to now is 110.5 secs Computing kpt #: 239 total cpu time spent up to now is 110.8 secs Computing kpt #: 240 total cpu time spent up to now is 111.0 secs Computing kpt #: 241 total cpu time spent up to now is 111.3 secs Computing kpt #: 242 total cpu time spent up to now is 111.5 secs Computing kpt #: 243 total cpu time spent up to now is 111.9 secs Computing kpt #: 244 total cpu time spent up to now is 112.1 secs Computing kpt #: 245 total cpu time spent up to now is 112.4 secs Computing kpt #: 246 total cpu time spent up to now is 112.8 secs Computing kpt #: 247 total cpu time spent up to now is 113.1 secs Computing kpt #: 248 total cpu time spent up to now is 113.3 secs Computing kpt #: 249 total cpu time spent up to now is 113.5 secs Computing kpt #: 250 total cpu time spent up to now is 113.8 secs Computing kpt #: 251 total cpu time spent up to now is 114.0 secs Computing kpt #: 252 total cpu time spent up to now is 114.2 secs Computing kpt #: 253 total cpu time spent up to now is 114.5 secs Computing kpt #: 254 total cpu time spent up to now is 114.7 secs Computing kpt #: 255 total cpu time spent up to now is 114.9 secs Computing kpt #: 256 total cpu time spent up to now is 115.2 secs Computing kpt #: 257 total cpu time spent up to now is 115.4 secs Computing kpt #: 258 total cpu time spent up to now is 115.6 secs Computing kpt #: 259 total cpu time spent up to now is 115.9 secs Computing kpt #: 260 total cpu time spent up to now is 116.1 secs Computing kpt #: 261 total cpu time spent up to now is 116.4 secs Computing kpt #: 262 total cpu time spent up to now is 116.6 secs Computing kpt #: 263 total cpu time spent up to now is 116.9 secs Computing kpt #: 264 total cpu time spent up to now is 117.1 secs Computing kpt #: 265 total cpu time spent up to now is 117.4 secs Computing kpt #: 266 total cpu time spent up to now is 117.7 secs Computing kpt #: 267 total cpu time spent up to now is 118.0 secs Computing kpt #: 268 total cpu time spent up to now is 118.3 secs Computing kpt #: 269 total cpu time spent up to now is 118.6 secs Computing kpt #: 270 total cpu time spent up to now is 118.9 secs Computing kpt #: 271 total cpu time spent up to now is 119.3 secs Computing kpt #: 272 total cpu time spent up to now is 119.8 secs Computing kpt #: 273 total cpu time spent up to now is 120.2 secs Computing kpt #: 274 total cpu time spent up to now is 120.4 secs Computing kpt #: 275 total cpu time spent up to now is 120.7 secs Computing kpt #: 276 total cpu time spent up to now is 121.0 secs Computing kpt #: 277 total cpu time spent up to now is 121.3 secs Computing kpt #: 278 total cpu time spent up to now is 121.6 secs Computing kpt #: 279 total cpu time spent up to now is 121.8 secs Computing kpt #: 280 total cpu time spent up to now is 122.1 secs Computing kpt #: 281 total cpu time spent up to now is 122.4 secs Computing kpt #: 282 total cpu time spent up to now is 122.7 secs Computing kpt #: 283 total cpu time spent up to now is 123.0 secs Computing kpt #: 284 total cpu time spent up to now is 123.2 secs Computing kpt #: 285 total cpu time spent up to now is 123.5 secs Computing kpt #: 286 total cpu time spent up to now is 123.8 secs Computing kpt #: 287 total cpu time spent up to now is 124.1 secs Computing kpt #: 288 total cpu time spent up to now is 124.4 secs Computing kpt #: 289 total cpu time spent up to now is 124.6 secs Computing kpt #: 290 total cpu time spent up to now is 124.9 secs Computing kpt #: 291 total cpu time spent up to now is 125.2 secs Computing kpt #: 292 total cpu time spent up to now is 125.5 secs Computing kpt #: 293 total cpu time spent up to now is 125.8 secs Computing kpt #: 294 total cpu time spent up to now is 126.2 secs Computing kpt #: 295 total cpu time spent up to now is 126.5 secs Computing kpt #: 296 total cpu time spent up to now is 126.8 secs Computing kpt #: 297 total cpu time spent up to now is 127.3 secs Computing kpt #: 298 total cpu time spent up to now is 127.8 secs Computing kpt #: 299 total cpu time spent up to now is 128.2 secs Computing kpt #: 300 total cpu time spent up to now is 128.6 secs Computing kpt #: 301 total cpu time spent up to now is 129.1 secs Computing kpt #: 302 total cpu time spent up to now is 129.6 secs Computing kpt #: 303 total cpu time spent up to now is 130.1 secs Computing kpt #: 304 total cpu time spent up to now is 130.9 secs Computing kpt #: 305 total cpu time spent up to now is 132.0 secs Computing kpt #: 306 total cpu time spent up to now is 132.4 secs Computing kpt #: 307 total cpu time spent up to now is 133.1 secs Computing kpt #: 308 total cpu time spent up to now is 133.9 secs Computing kpt #: 309 total cpu time spent up to now is 134.3 secs Computing kpt #: 310 total cpu time spent up to now is 134.9 secs Computing kpt #: 311 total cpu time spent up to now is 135.2 secs Computing kpt #: 312 total cpu time spent up to now is 135.4 secs Computing kpt #: 313 total cpu time spent up to now is 135.6 secs Computing kpt #: 314 total cpu time spent up to now is 135.9 secs Computing kpt #: 315 total cpu time spent up to now is 136.1 secs Computing kpt #: 316 total cpu time spent up to now is 136.3 secs Computing kpt #: 317 total cpu time spent up to now is 136.6 secs Computing kpt #: 318 total cpu time spent up to now is 136.8 secs Computing kpt #: 319 total cpu time spent up to now is 137.0 secs Computing kpt #: 320 total cpu time spent up to now is 137.3 secs Computing kpt #: 321 total cpu time spent up to now is 137.5 secs Computing kpt #: 322 total cpu time spent up to now is 137.7 secs Computing kpt #: 323 total cpu time spent up to now is 137.9 secs Computing kpt #: 324 total cpu time spent up to now is 138.2 secs Computing kpt #: 325 total cpu time spent up to now is 138.4 secs Computing kpt #: 326 total cpu time spent up to now is 138.6 secs Computing kpt #: 327 total cpu time spent up to now is 138.9 secs Computing kpt #: 328 total cpu time spent up to now is 139.1 secs Computing kpt #: 329 total cpu time spent up to now is 139.3 secs Computing kpt #: 330 total cpu time spent up to now is 139.6 secs Computing kpt #: 331 total cpu time spent up to now is 139.8 secs Computing kpt #: 332 total cpu time spent up to now is 140.0 secs Computing kpt #: 333 total cpu time spent up to now is 140.2 secs Computing kpt #: 334 total cpu time spent up to now is 140.5 secs Computing kpt #: 335 total cpu time spent up to now is 140.7 secs Computing kpt #: 336 total cpu time spent up to now is 140.9 secs Computing kpt #: 337 total cpu time spent up to now is 141.4 secs Computing kpt #: 338 total cpu time spent up to now is 142.1 secs Computing kpt #: 339 total cpu time spent up to now is 142.4 secs Computing kpt #: 340 total cpu time spent up to now is 142.7 secs Computing kpt #: 341 total cpu time spent up to now is 142.9 secs Computing kpt #: 342 total cpu time spent up to now is 143.1 secs Computing kpt #: 343 total cpu time spent up to now is 143.3 secs Computing kpt #: 344 total cpu time spent up to now is 143.6 secs Computing kpt #: 345 total cpu time spent up to now is 143.8 secs Computing kpt #: 346 total cpu time spent up to now is 144.0 secs Computing kpt #: 347 total cpu time spent up to now is 144.2 secs Computing kpt #: 348 total cpu time spent up to now is 144.4 secs Computing kpt #: 349 total cpu time spent up to now is 144.7 secs Computing kpt #: 350 total cpu time spent up to now is 144.9 secs Computing kpt #: 351 total cpu time spent up to now is 145.1 secs Computing kpt #: 352 total cpu time spent up to now is 145.3 secs Computing kpt #: 353 total cpu time spent up to now is 145.5 secs Computing kpt #: 354 total cpu time spent up to now is 145.7 secs Computing kpt #: 355 total cpu time spent up to now is 145.9 secs Computing kpt #: 356 total cpu time spent up to now is 146.1 secs Computing kpt #: 357 total cpu time spent up to now is 146.3 secs Computing kpt #: 358 total cpu time spent up to now is 146.5 secs Computing kpt #: 359 total cpu time spent up to now is 146.7 secs Computing kpt #: 360 total cpu time spent up to now is 146.9 secs Computing kpt #: 361 total cpu time spent up to now is 147.4 secs Computing kpt #: 362 total cpu time spent up to now is 147.7 secs Computing kpt #: 363 total cpu time spent up to now is 147.9 secs Computing kpt #: 364 total cpu time spent up to now is 148.2 secs Computing kpt #: 365 total cpu time spent up to now is 148.4 secs Computing kpt #: 366 total cpu time spent up to now is 148.6 secs Computing kpt #: 367 total cpu time spent up to now is 148.9 secs Computing kpt #: 368 total cpu time spent up to now is 149.1 secs Computing kpt #: 369 total cpu time spent up to now is 149.4 secs Computing kpt #: 370 total cpu time spent up to now is 149.6 secs Computing kpt #: 371 total cpu time spent up to now is 149.8 secs Computing kpt #: 372 total cpu time spent up to now is 150.1 secs Computing kpt #: 373 total cpu time spent up to now is 150.3 secs Computing kpt #: 374 total cpu time spent up to now is 150.6 secs Computing kpt #: 375 total cpu time spent up to now is 150.8 secs Computing kpt #: 376 total cpu time spent up to now is 151.0 secs Computing kpt #: 377 total cpu time spent up to now is 151.3 secs Computing kpt #: 378 total cpu time spent up to now is 151.5 secs Computing kpt #: 379 total cpu time spent up to now is 151.7 secs Computing kpt #: 380 total cpu time spent up to now is 152.0 secs Computing kpt #: 381 total cpu time spent up to now is 152.2 secs Computing kpt #: 382 total cpu time spent up to now is 152.5 secs Computing kpt #: 383 total cpu time spent up to now is 152.7 secs Computing kpt #: 384 total cpu time spent up to now is 152.9 secs Computing kpt #: 385 total cpu time spent up to now is 153.2 secs Computing kpt #: 386 total cpu time spent up to now is 153.4 secs Computing kpt #: 387 total cpu time spent up to now is 153.6 secs Computing kpt #: 388 total cpu time spent up to now is 153.9 secs Computing kpt #: 389 total cpu time spent up to now is 154.2 secs Computing kpt #: 390 total cpu time spent up to now is 154.4 secs Computing kpt #: 391 total cpu time spent up to now is 154.7 secs Computing kpt #: 392 total cpu time spent up to now is 155.1 secs Computing kpt #: 393 total cpu time spent up to now is 155.4 secs Computing kpt #: 394 total cpu time spent up to now is 155.7 secs Computing kpt #: 395 total cpu time spent up to now is 156.0 secs Computing kpt #: 396 total cpu time spent up to now is 156.3 secs Computing kpt #: 397 total cpu time spent up to now is 156.6 secs Computing kpt #: 398 total cpu time spent up to now is 157.1 secs Computing kpt #: 399 total cpu time spent up to now is 157.3 secs Computing kpt #: 400 total cpu time spent up to now is 157.6 secs Computing kpt #: 401 total cpu time spent up to now is 157.9 secs Computing kpt #: 402 total cpu time spent up to now is 158.1 secs Computing kpt #: 403 total cpu time spent up to now is 158.4 secs Computing kpt #: 404 total cpu time spent up to now is 158.7 secs Computing kpt #: 405 total cpu time spent up to now is 159.1 secs Computing kpt #: 406 total cpu time spent up to now is 159.4 secs Computing kpt #: 407 total cpu time spent up to now is 159.7 secs Computing kpt #: 408 total cpu time spent up to now is 160.1 secs Computing kpt #: 409 total cpu time spent up to now is 160.3 secs Computing kpt #: 410 total cpu time spent up to now is 160.7 secs Computing kpt #: 411 total cpu time spent up to now is 160.9 secs Computing kpt #: 412 total cpu time spent up to now is 161.2 secs Computing kpt #: 413 total cpu time spent up to now is 161.5 secs Computing kpt #: 414 total cpu time spent up to now is 161.8 secs Computing kpt #: 415 total cpu time spent up to now is 162.2 secs Computing kpt #: 416 total cpu time spent up to now is 162.5 secs Computing kpt #: 417 total cpu time spent up to now is 162.9 secs Computing kpt #: 418 total cpu time spent up to now is 163.1 secs Computing kpt #: 419 total cpu time spent up to now is 163.3 secs Computing kpt #: 420 total cpu time spent up to now is 163.5 secs Computing kpt #: 421 total cpu time spent up to now is 163.7 secs Computing kpt #: 422 total cpu time spent up to now is 163.9 secs Computing kpt #: 423 total cpu time spent up to now is 164.1 secs Computing kpt #: 424 total cpu time spent up to now is 164.4 secs Computing kpt #: 425 total cpu time spent up to now is 164.6 secs Computing kpt #: 426 total cpu time spent up to now is 164.8 secs Computing kpt #: 427 total cpu time spent up to now is 165.0 secs Computing kpt #: 428 total cpu time spent up to now is 165.2 secs Computing kpt #: 429 total cpu time spent up to now is 165.4 secs Computing kpt #: 430 total cpu time spent up to now is 165.6 secs Computing kpt #: 431 total cpu time spent up to now is 165.9 secs Computing kpt #: 432 total cpu time spent up to now is 166.1 secs Computing kpt #: 433 total cpu time spent up to now is 166.3 secs Computing kpt #: 434 total cpu time spent up to now is 166.5 secs Computing kpt #: 435 total cpu time spent up to now is 166.7 secs Computing kpt #: 436 total cpu time spent up to now is 167.0 secs Computing kpt #: 437 total cpu time spent up to now is 167.2 secs Computing kpt #: 438 total cpu time spent up to now is 167.4 secs Computing kpt #: 439 total cpu time spent up to now is 167.6 secs Computing kpt #: 440 total cpu time spent up to now is 167.8 secs Computing kpt #: 441 total cpu time spent up to now is 168.1 secs Computing kpt #: 442 total cpu time spent up to now is 168.3 secs Computing kpt #: 443 total cpu time spent up to now is 168.5 secs Computing kpt #: 444 total cpu time spent up to now is 168.8 secs Computing kpt #: 445 total cpu time spent up to now is 169.3 secs Computing kpt #: 446 total cpu time spent up to now is 169.8 secs Computing kpt #: 447 total cpu time spent up to now is 170.3 secs Computing kpt #: 448 total cpu time spent up to now is 170.7 secs Computing kpt #: 449 total cpu time spent up to now is 171.0 secs Computing kpt #: 450 total cpu time spent up to now is 171.3 secs Computing kpt #: 451 total cpu time spent up to now is 171.6 secs Computing kpt #: 452 total cpu time spent up to now is 171.9 secs Computing kpt #: 453 total cpu time spent up to now is 172.3 secs Computing kpt #: 454 total cpu time spent up to now is 172.7 secs Computing kpt #: 455 total cpu time spent up to now is 172.9 secs Computing kpt #: 456 total cpu time spent up to now is 173.2 secs Computing kpt #: 457 total cpu time spent up to now is 173.5 secs Computing kpt #: 458 total cpu time spent up to now is 173.8 secs Computing kpt #: 459 total cpu time spent up to now is 174.1 secs Computing kpt #: 460 total cpu time spent up to now is 174.4 secs ethr = 5.56E-11, avg # of iterations = 13.2 total cpu time spent up to now is 174.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1279 PWs) bands (ev): -43.8191 -43.8191 -20.4800 -20.4800 -19.8583 -19.8583 -19.7611 -19.7611 -2.2681 -2.2681 10.2168 10.2168 10.2592 10.2592 10.7785 10.7785 11.3490 11.3490 14.7239 14.7239 14.7439 14.7439 16.0234 16.0234 16.0277 16.0277 k = 0.0089 0.0052-0.0000 ( 1271 PWs) bands (ev): -43.8190 -43.8190 -20.4799 -20.4799 -19.8582 -19.8582 -19.7611 -19.7611 -2.2671 -2.2671 10.2140 10.2140 10.2568 10.2568 10.7773 10.7773 11.3511 11.3511 14.7246 14.7246 14.7448 14.7448 16.0205 16.0205 16.0256 16.0256 k = 0.0179 0.0103-0.0000 ( 1267 PWs) bands (ev): -43.8190 -43.8190 -20.4800 -20.4800 -19.8583 -19.8583 -19.7614 -19.7614 -2.2640 -2.2640 10.2038 10.2038 10.2515 10.2515 10.7739 10.7739 11.3571 11.3571 14.7260 14.7260 14.7479 14.7479 16.0099 16.0099 16.0217 16.0217 k = 0.0268 0.0155-0.0000 ( 1267 PWs) bands (ev): -43.8189 -43.8189 -20.4802 -20.4802 -19.8584 -19.8584 -19.7619 -19.7619 -2.2589 -2.2589 10.1824 10.1824 10.2474 10.2474 10.7681 10.7681 11.3669 11.3669 14.7264 14.7264 14.7550 14.7550 15.9916 15.9916 16.0164 16.0164 k = 0.0357 0.0206-0.0000 ( 1259 PWs) bands (ev): -43.8188 -43.8188 -20.4804 -20.4804 -19.8586 -19.8586 -19.7624 -19.7624 -2.2517 -2.2517 10.1492 10.1492 10.2457 10.2457 10.7602 10.7602 11.3801 11.3801 14.7252 14.7252 14.7666 14.7666 15.9667 15.9667 16.0092 16.0092 k = 0.0446 0.0258-0.0000 ( 1259 PWs) bands (ev): -43.8186 -43.8186 -20.4808 -20.4808 -19.8589 -19.8589 -19.7633 -19.7633 -2.2425 -2.2425 10.1057 10.1057 10.2457 10.2457 10.7501 10.7501 11.3962 11.3962 14.7226 14.7226 14.7825 14.7825 15.9361 15.9361 16.0001 16.0001 k = 0.0536 0.0309-0.0000 ( 1259 PWs) bands (ev): -43.8185 -43.8185 -20.4812 -20.4812 -19.8593 -19.8593 -19.7643 -19.7643 -2.2312 -2.2312 10.0530 10.0530 10.2468 10.2468 10.7380 10.7380 11.4147 11.4147 14.7189 14.7189 14.8022 14.8022 15.9006 15.9006 15.9893 15.9893 k = 0.0625 0.0361-0.0000 ( 1257 PWs) bands (ev): -43.8183 -43.8183 -20.4817 -20.4817 -19.8596 -19.8596 -19.7655 -19.7655 -2.2180 -2.2180 9.9924 9.9924 10.2485 10.2485 10.7240 10.7240 11.4353 11.4353 14.7143 14.7143 14.8254 14.8254 15.8609 15.8609 15.9768 15.9768 k = 0.0714 0.0412-0.0000 ( 1261 PWs) bands (ev): -43.8180 -43.8180 -20.4824 -20.4824 -19.8602 -19.8602 -19.7669 -19.7669 -2.2028 -2.2028 9.9248 9.9248 10.2507 10.2507 10.7081 10.7081 11.4575 11.4575 14.7089 14.7089 14.8521 14.8521 15.8177 15.8177 15.9629 15.9629 k = 0.0804 0.0464-0.0000 ( 1267 PWs) bands (ev): -43.8178 -43.8178 -20.4831 -20.4831 -19.8608 -19.8608 -19.7685 -19.7685 -2.1856 -2.1856 9.8507 9.8507 10.2533 10.2533 10.6905 10.6905 11.4810 11.4810 14.7028 14.7028 14.8818 14.8818 15.7714 15.7714 15.9475 15.9475 k = 0.0893 0.0515-0.0000 ( 1269 PWs) bands (ev): -43.8175 -43.8175 -20.4839 -20.4839 -19.8614 -19.8614 -19.7702 -19.7702 -2.1665 -2.1665 9.7711 9.7711 10.2562 10.2562 10.6713 10.6713 11.5055 11.5055 14.6959 14.6959 14.9146 14.9146 15.7227 15.7227 15.9310 15.9310 k = 0.0982 0.0567-0.0000 ( 1269 PWs) bands (ev): -43.8172 -43.8172 -20.4847 -20.4847 -19.8621 -19.8621 -19.7721 -19.7721 -2.1455 -2.1455 9.6864 9.6864 10.2595 10.2595 10.6507 10.6507 11.5309 11.5309 14.6884 14.6884 14.9501 14.9501 15.6720 15.6720 15.9135 15.9135 k = 0.1071 0.0619-0.0000 ( 1265 PWs) bands (ev): -43.8169 -43.8169 -20.4855 -20.4855 -19.8628 -19.8628 -19.7740 -19.7740 -2.1226 -2.1226 9.5972 9.5972 10.2629 10.2629 10.6288 10.6288 11.5568 11.5568 14.6803 14.6803 14.9881 14.9881 15.6198 15.6198 15.8951 15.8951 k = 0.1161 0.0670-0.0000 ( 1261 PWs) bands (ev): -43.8165 -43.8165 -20.4865 -20.4865 -19.8636 -19.8636 -19.7760 -19.7760 -2.0979 -2.0979 9.5041 9.5041 10.2666 10.2666 10.6057 10.6057 11.5832 11.5832 14.6716 14.6716 15.0286 15.0286 15.5665 15.5665 15.8761 15.8761 k = 0.1250 0.0722-0.0000 ( 1261 PWs) bands (ev): -43.8161 -43.8161 -20.4875 -20.4875 -19.8645 -19.8645 -19.7782 -19.7782 -2.0715 -2.0715 9.4075 9.4075 10.2705 10.2705 10.5816 10.5816 11.6098 11.6098 14.6623 14.6623 15.0712 15.0712 15.5126 15.5126 15.8566 15.8566 k = 0.1339 0.0773-0.0000 ( 1261 PWs) bands (ev): -43.8157 -43.8157 -20.4886 -20.4886 -19.8655 -19.8655 -19.7805 -19.7805 -2.0432 -2.0432 9.3079 9.3079 10.2744 10.2744 10.5566 10.5566 11.6365 11.6365 14.6525 14.6525 15.1158 15.1158 15.4584 15.4584 15.8367 15.8367 k = 0.1429 0.0825-0.0000 ( 1263 PWs) bands (ev): -43.8153 -43.8153 -20.4898 -20.4898 -19.8665 -19.8665 -19.7828 -19.7828 -2.0133 -2.0133 9.2056 9.2056 10.2784 10.2784 10.5309 10.5309 11.6631 11.6631 14.6423 14.6423 15.1622 15.1622 15.4046 15.4046 15.8166 15.8166 k = 0.1518 0.0876-0.0000 ( 1263 PWs) bands (ev): -43.8148 -43.8148 -20.4911 -20.4911 -19.8676 -19.8676 -19.7853 -19.7853 -1.9818 -1.9818 9.1011 9.1011 10.2825 10.2825 10.5046 10.5046 11.6894 11.6894 14.6316 14.6316 15.2100 15.2100 15.3517 15.3517 15.7966 15.7966 k = 0.1607 0.0928-0.0000 ( 1263 PWs) bands (ev): -43.8144 -43.8144 -20.4924 -20.4924 -19.8688 -19.8688 -19.7877 -19.7877 -1.9487 -1.9487 8.9948 8.9948 10.2864 10.2864 10.4780 10.4780 11.7152 11.7152 14.6205 14.6205 15.2580 15.2580 15.3010 15.3010 15.7766 15.7766 k = 0.1696 0.0979-0.0000 ( 1267 PWs) bands (ev): -43.8139 -43.8139 -20.4938 -20.4938 -19.8701 -19.8701 -19.7902 -19.7902 -1.9140 -1.9140 8.8869 8.8869 10.2901 10.2901 10.4512 10.4512 11.7403 11.7403 14.6090 14.6090 15.2473 15.2473 15.3119 15.3119 15.7570 15.7570 k = 0.1786 0.1031-0.0000 ( 1270 PWs) bands (ev): -43.8134 -43.8134 -20.4952 -20.4952 -19.8715 -19.8715 -19.7928 -19.7928 -1.8779 -1.8779 8.7777 8.7777 10.2935 10.2935 10.4245 10.4245 11.7646 11.7646 14.5972 14.5972 15.1997 15.1997 15.3626 15.3626 15.7377 15.7377 k = 0.1875 0.1083-0.0000 ( 1270 PWs) bands (ev): -43.8129 -43.8129 -20.4967 -20.4967 -19.8730 -19.8730 -19.7953 -19.7953 -1.8405 -1.8405 8.6677 8.6677 10.2960 10.2960 10.3985 10.3985 11.7876 11.7876 14.5851 14.5851 15.1540 15.1540 15.4148 15.4148 15.7189 15.7189 k = 0.1964 0.1134-0.0000 ( 1278 PWs) bands (ev): -43.8124 -43.8124 -20.4983 -20.4983 -19.8746 -19.8746 -19.7979 -19.7979 -1.8017 -1.8017 8.5569 8.5569 10.2967 10.2967 10.3741 10.3741 11.8094 11.8094 14.5728 14.5728 15.1113 15.1113 15.4676 15.4676 15.7009 15.7009 k = 0.2054 0.1186-0.0000 ( 1278 PWs) bands (ev): -43.8118 -43.8118 -20.4999 -20.4999 -19.8762 -19.8762 -19.8004 -19.8004 -1.7617 -1.7617 8.4458 8.4458 10.2934 10.2934 10.3537 10.3537 11.8295 11.8295 14.5604 14.5604 15.0718 15.0718 15.5208 15.5208 15.6836 15.6836 k = 0.2143 0.1237-0.0000 ( 1278 PWs) bands (ev): -43.8113 -43.8113 -20.5015 -20.5015 -19.8779 -19.8779 -19.8028 -19.8028 -1.7205 -1.7205 8.3346 8.3346 10.2824 10.2824 10.3410 10.3410 11.8478 11.8478 14.5477 14.5477 15.0362 15.0362 15.5738 15.5738 15.6675 15.6675 k = 0.2232 0.1289-0.0000 ( 1278 PWs) bands (ev): -43.8108 -43.8108 -20.5032 -20.5032 -19.8796 -19.8796 -19.8052 -19.8052 -1.6783 -1.6783 8.2235 8.2235 10.2634 10.2634 10.3365 10.3365 11.8640 11.8640 14.5349 14.5349 15.0048 15.0048 15.6236 15.6236 15.6554 15.6554 k = 0.2321 0.1340-0.0000 ( 1278 PWs) bands (ev): -43.8102 -43.8102 -20.5049 -20.5049 -19.8815 -19.8815 -19.8075 -19.8075 -1.6351 -1.6351 8.1127 8.1127 10.2400 10.2400 10.3364 10.3364 11.8780 11.8780 14.5221 14.5221 14.9779 14.9779 15.6320 15.6320 15.6856 15.6856 k = 0.2411 0.1392-0.0000 ( 1278 PWs) bands (ev): -43.8096 -43.8096 -20.5066 -20.5066 -19.8834 -19.8834 -19.8097 -19.8097 -1.5911 -1.5911 8.0026 8.0026 10.2150 10.2150 10.3382 10.3382 11.8896 11.8896 14.5092 14.5092 14.9558 14.9558 15.6195 15.6195 15.7374 15.7374 k = 0.2500 0.1443-0.0000 ( 1278 PWs) bands (ev): -43.8091 -43.8091 -20.5084 -20.5084 -19.8854 -19.8854 -19.8119 -19.8119 -1.5463 -1.5463 7.8932 7.8932 10.1895 10.1895 10.3408 10.3408 11.8986 11.8986 14.4964 14.4964 14.9387 14.9387 15.6068 15.6068 15.7899 15.7899 k = 0.2589 0.1495-0.0000 ( 1278 PWs) bands (ev): -43.8085 -43.8085 -20.5102 -20.5102 -19.8874 -19.8874 -19.8140 -19.8140 -1.5009 -1.5009 7.7848 7.7848 10.1639 10.1639 10.3437 10.3437 11.9049 11.9049 14.4836 14.4836 14.9269 14.9269 15.5948 15.5948 15.8420 15.8420 k = 0.2679 0.1546-0.0000 ( 1274 PWs) bands (ev): -43.8080 -43.8080 -20.5119 -20.5119 -19.8895 -19.8895 -19.8159 -19.8159 -1.4550 -1.4550 7.6777 7.6777 10.1386 10.1386 10.3467 10.3467 11.9086 11.9086 14.4709 14.4709 14.9204 14.9204 15.5837 15.5837 15.8934 15.8934 k = 0.2768 0.1598-0.0000 ( 1274 PWs) bands (ev): -43.8074 -43.8074 -20.5137 -20.5137 -19.8916 -19.8916 -19.8178 -19.8178 -1.4087 -1.4087 7.5720 7.5720 10.1138 10.1138 10.3497 10.3497 11.9096 11.9096 14.4583 14.4583 14.9193 14.9193 15.5735 15.5735 15.9440 15.9440 k = 0.2857 0.1650-0.0000 ( 1274 PWs) bands (ev): -43.8069 -43.8069 -20.5155 -20.5155 -19.8938 -19.8938 -19.8196 -19.8196 -1.3621 -1.3621 7.4679 7.4679 10.0895 10.0895 10.3526 10.3526 11.9079 11.9079 14.4458 14.4458 14.9234 14.9234 15.5644 15.5644 15.9935 15.9935 k = 0.2946 0.1701-0.0000 ( 1278 PWs) bands (ev): -43.8063 -43.8063 -20.5174 -20.5174 -19.8961 -19.8961 -19.8213 -19.8213 -1.3154 -1.3154 7.3657 7.3657 10.0658 10.0658 10.3553 10.3553 11.9037 11.9037 14.4336 14.4336 14.9328 14.9328 15.5561 15.5561 16.0419 16.0419 k = 0.3036 0.1753-0.0000 ( 1272 PWs) bands (ev): -43.8058 -43.8058 -20.5191 -20.5191 -19.8982 -19.8982 -19.8228 -19.8228 -1.2687 -1.2687 7.2656 7.2656 10.0428 10.0428 10.3580 10.3580 11.8970 11.8970 14.4216 14.4216 14.9471 14.9471 15.5489 15.5489 16.0889 16.0889 k = 0.3125 0.1804-0.0000 ( 1272 PWs) bands (ev): -43.8053 -43.8053 -20.5208 -20.5208 -19.9004 -19.9004 -19.8243 -19.8243 -1.2222 -1.2222 7.1677 7.1677 10.0205 10.0205 10.3604 10.3604 11.8883 11.8883 14.4099 14.4099 14.9661 14.9661 15.5425 15.5425 16.1345 16.1345 k = 0.3214 0.1856-0.0000 ( 1276 PWs) bands (ev): -43.8048 -43.8048 -20.5226 -20.5226 -19.9026 -19.9026 -19.8258 -19.8258 -1.1761 -1.1761 7.0723 7.0723 9.9991 9.9991 10.3627 10.3627 11.8775 11.8775 14.3985 14.3985 14.9895 14.9895 15.5369 15.5369 16.1786 16.1786 k = 0.3304 0.1907-0.0000 ( 1276 PWs) bands (ev): -43.8043 -43.8043 -20.5243 -20.5243 -19.9048 -19.9048 -19.8271 -19.8271 -1.1305 -1.1305 6.9796 6.9796 9.9785 9.9785 10.3649 10.3649 11.8651 11.8651 14.3875 14.3875 15.0168 15.0168 15.5322 15.5322 16.2210 16.2210 k = 0.3393 0.1959-0.0000 ( 1276 PWs) bands (ev): -43.8038 -43.8038 -20.5260 -20.5260 -19.9069 -19.9069 -19.8283 -19.8283 -1.0855 -1.0855 6.8898 6.8898 9.9587 9.9587 10.3668 10.3668 11.8512 11.8512 14.3768 14.3768 15.0477 15.0477 15.5283 15.5283 16.2617 16.2617 k = 0.3482 0.2010-0.0000 ( 1280 PWs) bands (ev): -43.8033 -43.8033 -20.5277 -20.5277 -19.9091 -19.9091 -19.8295 -19.8295 -1.0414 -1.0414 6.8031 6.8031 9.9399 9.9399 10.3686 10.3686 11.8362 11.8362 14.3665 14.3665 15.0816 15.0816 15.5250 15.5250 16.3005 16.3005 k = 0.3571 0.2062-0.0000 ( 1276 PWs) bands (ev): -43.8029 -43.8029 -20.5292 -20.5292 -19.9110 -19.9110 -19.8305 -19.8305 -0.9984 -0.9984 6.7198 6.7198 9.9220 9.9220 10.3702 10.3702 11.8204 11.8204 14.3566 14.3566 15.1182 15.1182 15.5225 15.5225 16.3375 16.3375 k = 0.3661 0.2114-0.0000 ( 1272 PWs) bands (ev): -43.8024 -43.8024 -20.5307 -20.5307 -19.9129 -19.9129 -19.8314 -19.8314 -0.9566 -0.9566 6.6400 6.6400 9.9050 9.9050 10.3716 10.3716 11.8040 11.8040 14.3472 14.3472 15.1567 15.1567 15.5205 15.5205 16.3724 16.3724 k = 0.3750 0.2165-0.0000 ( 1272 PWs) bands (ev): -43.8020 -43.8020 -20.5322 -20.5322 -19.9148 -19.9148 -19.8323 -19.8323 -0.9163 -0.9163 6.5640 6.5640 9.8891 9.8891 10.3729 10.3729 11.7873 11.7873 14.3383 14.3383 15.1967 15.1967 15.5191 15.5191 16.4053 16.4053 k = 0.3839 0.2217-0.0000 ( 1272 PWs) bands (ev): -43.8016 -43.8016 -20.5336 -20.5336 -19.9166 -19.9166 -19.8331 -19.8331 -0.8776 -0.8776 6.4921 6.4921 9.8742 9.8742 10.3741 10.3741 11.7706 11.7706 14.3299 14.3299 15.2376 15.2376 15.5181 15.5181 16.4361 16.4361 k = 0.3929 0.2268-0.0000 ( 1278 PWs) bands (ev): -43.8013 -43.8013 -20.5350 -20.5350 -19.9184 -19.9184 -19.8339 -19.8339 -0.8407 -0.8407 6.4243 6.4243 9.8603 9.8603 10.3751 10.3751 11.7542 11.7542 14.3221 14.3221 15.2787 15.2787 15.5176 15.5176 16.4647 16.4647 k = 0.4018 0.2320-0.0000 ( 1278 PWs) bands (ev): -43.8009 -43.8009 -20.5362 -20.5362 -19.9200 -19.9200 -19.8346 -19.8346 -0.8058 -0.8058 6.3610 6.3610 9.8474 9.8474 10.3760 10.3760 11.7382 11.7382 14.3147 14.3147 15.3195 15.3195 15.5175 15.5175 16.4912 16.4912 k = 0.4107 0.2371-0.0000 ( 1278 PWs) bands (ev): -43.8006 -43.8006 -20.5373 -20.5373 -19.9214 -19.9214 -19.8352 -19.8352 -0.7732 -0.7732 6.3023 6.3023 9.8357 9.8357 10.3767 10.3767 11.7230 11.7230 14.3080 14.3080 15.3594 15.3594 15.5177 15.5177 16.5154 16.5154 k = 0.4196 0.2423-0.0000 ( 1278 PWs) bands (ev): -43.8003 -43.8003 -20.5384 -20.5384 -19.9228 -19.9228 -19.8357 -19.8357 -0.7430 -0.7430 6.2485 6.2485 9.8250 9.8250 10.3774 10.3774 11.7086 11.7086 14.3018 14.3018 15.3977 15.3977 15.5182 15.5182 16.5373 16.5373 k = 0.4286 0.2474-0.0000 ( 1280 PWs) bands (ev): -43.8001 -43.8001 -20.5394 -20.5394 -19.9240 -19.9240 -19.8362 -19.8362 -0.7154 -0.7154 6.1997 6.1997 9.8154 9.8154 10.3779 10.3779 11.6953 11.6953 14.2963 14.2963 15.4335 15.4335 15.5192 15.5192 16.5570 16.5570 k = 0.4375 0.2526-0.0000 ( 1276 PWs) bands (ev): -43.7999 -43.7999 -20.5402 -20.5402 -19.9251 -19.9251 -19.8366 -19.8366 -0.6906 -0.6906 6.1562 6.1562 9.8069 9.8069 10.3784 10.3784 11.6831 11.6831 14.2913 14.2913 15.4660 15.4660 15.5210 15.5210 16.5745 16.5745 k = 0.4464 0.2577-0.0000 ( 1276 PWs) bands (ev): -43.7997 -43.7997 -20.5409 -20.5409 -19.9260 -19.9260 -19.8370 -19.8370 -0.6687 -0.6687 6.1181 6.1181 9.7995 9.7995 10.3788 10.3788 11.6724 11.6724 14.2870 14.2870 15.4929 15.4929 15.5253 15.5253 16.5896 16.5896 k = 0.4554 0.2629-0.0000 ( 1280 PWs) bands (ev): -43.7995 -43.7995 -20.5416 -20.5416 -19.9269 -19.9269 -19.8373 -19.8373 -0.6499 -0.6499 6.0856 6.0856 9.7933 9.7933 10.3791 10.3791 11.6631 11.6631 14.2834 14.2834 15.5085 15.5085 15.5371 15.5371 16.6024 16.6024 k = 0.4643 0.2681-0.0000 ( 1284 PWs) bands (ev): -43.7994 -43.7994 -20.5422 -20.5422 -19.9276 -19.9276 -19.8376 -19.8376 -0.6344 -0.6344 6.0588 6.0588 9.7881 9.7881 10.3793 10.3793 11.6553 11.6553 14.2804 14.2804 15.5137 15.5137 15.5551 15.5551 16.6128 16.6128 k = 0.4732 0.2732-0.0000 ( 1288 PWs) bands (ev): -43.7993 -43.7993 -20.5426 -20.5426 -19.9282 -19.9282 -19.8378 -19.8378 -0.6222 -0.6222 6.0378 6.0378 9.7841 9.7841 10.3795 10.3795 11.6492 11.6492 14.2780 14.2780 15.5156 15.5156 15.5717 15.5717 16.6210 16.6210 k = 0.4821 0.2784-0.0000 ( 1284 PWs) bands (ev): -43.7992 -43.7992 -20.5429 -20.5429 -19.9285 -19.9285 -19.8379 -19.8379 -0.6134 -0.6134 6.0228 6.0228 9.7813 9.7813 10.3796 10.3796 11.6448 11.6448 14.2763 14.2763 15.5165 15.5165 15.5843 15.5843 16.6268 16.6268 k = 0.4911 0.2835-0.0000 ( 1288 PWs) bands (ev): -43.7991 -43.7991 -20.5431 -20.5431 -19.9288 -19.9288 -19.8380 -19.8380 -0.6081 -0.6081 6.0137 6.0137 9.7796 9.7796 10.3797 10.3797 11.6422 11.6422 14.2753 14.2753 15.5170 15.5170 15.5920 15.5920 16.6303 16.6303 k = 0.5000 0.2887-0.0000 ( 1288 PWs) bands (ev): -43.7991 -43.7991 -20.5432 -20.5432 -19.9289 -19.9289 -19.8380 -19.8380 -0.6063 -0.6063 6.0107 6.0107 9.7790 9.7790 10.3797 10.3797 11.6413 11.6413 14.2750 14.2750 15.5172 15.5172 15.5946 15.5946 16.6315 16.6315 k = 0.5000 0.2887-0.0000 ( 1288 PWs) bands (ev): -43.7991 -43.7991 -20.5432 -20.5432 -19.9289 -19.9289 -19.8380 -19.8380 -0.6063 -0.6063 6.0107 6.0107 9.7790 9.7790 10.3797 10.3797 11.6413 11.6413 14.2750 14.2750 15.5172 15.5172 15.5946 15.5946 16.6315 16.6315 k = 0.4948 0.2977-0.0000 ( 1288 PWs) bands (ev): -43.7991 -43.7991 -20.5436 -20.5428 -19.9290 -19.9286 -19.8384 -19.8379 -0.6062 -0.6055 6.0116 6.0122 9.7790 9.7792 10.3671 10.3688 11.6507 11.6526 14.2718 14.2730 15.5132 15.5147 15.5920 15.5949 16.6340 16.6355 k = 0.4896 0.3067-0.0000 ( 1288 PWs) bands (ev): -43.7991 -43.7991 -20.5440 -20.5423 -19.9291 -19.9283 -19.8389 -19.8379 -0.6052 -0.6038 6.0150 6.0162 9.7792 9.7796 10.3321 10.3354 11.6800 11.6835 14.2634 14.2660 15.5032 15.5059 15.5874 15.5929 16.6431 16.6459 k = 0.4844 0.3157-0.0000 ( 1284 PWs) bands (ev): -43.7991 -43.7991 -20.5444 -20.5419 -19.9291 -19.9279 -19.8396 -19.8380 -0.6033 -0.6012 6.0208 6.0227 9.7797 9.7802 10.2777 10.2823 11.7262 11.7311 14.2502 14.2539 15.4874 15.4907 15.5807 15.5882 16.6585 16.6627 k = 0.4792 0.3248-0.0000 ( 1284 PWs) bands (ev): -43.7990 -43.7990 -20.5449 -20.5415 -19.9291 -19.9275 -19.8405 -19.8383 -0.6005 -0.5977 6.0292 6.0316 9.7803 9.7810 10.2076 10.2132 11.7858 11.7918 14.2324 14.2373 15.4663 15.4698 15.5721 15.5810 16.6799 16.6854 k = 0.4740 0.3338-0.0000 ( 1280 PWs) bands (ev): -43.7990 -43.7990 -20.5453 -20.5411 -19.9289 -19.9269 -19.8415 -19.8388 -0.5969 -0.5933 6.0399 6.0430 9.7810 9.7818 10.1253 10.1317 11.8555 11.8624 14.2104 14.2163 15.4402 15.4437 15.5613 15.5713 16.7068 16.7135 k = 0.4688 0.3428-0.0000 ( 1278 PWs) bands (ev): -43.7989 -43.7989 -20.5457 -20.5407 -19.9287 -19.9263 -19.8427 -19.8395 -0.5924 -0.5881 6.0531 6.0567 9.7817 9.7826 10.0338 10.0409 11.9325 11.9401 14.1847 14.1916 15.4098 15.4131 15.5483 15.5592 16.7388 16.7467 k = 0.4635 0.3518-0.0000 ( 1278 PWs) bands (ev): -43.7988 -43.7988 -20.5462 -20.5404 -19.9285 -19.9257 -19.8440 -19.8403 -0.5870 -0.5821 6.0687 6.0730 9.7817 9.7826 9.9360 9.9436 12.0146 12.0227 14.1557 14.1636 15.3756 15.3785 15.5332 15.5446 16.7752 16.7842 k = 0.4583 0.3608-0.0000 ( 1278 PWs) bands (ev): -43.7988 -43.7988 -20.5466 -20.5400 -19.9282 -19.9250 -19.8455 -19.8413 -0.5809 -0.5753 6.0866 6.0916 9.7764 9.7776 9.8383 9.8462 12.1002 12.1089 14.1242 14.1329 15.3382 15.3408 15.5157 15.5277 16.8156 16.8255 k = 0.4531 0.3699-0.0000 ( 1278 PWs) bands (ev): -43.7987 -43.7987 -20.5471 -20.5397 -19.9278 -19.9242 -19.8471 -19.8425 -0.5741 -0.5678 6.1070 6.1126 9.7122 9.7182 9.7957 9.7991 12.1883 12.1974 14.0904 14.0999 15.2980 15.3004 15.4960 15.5085 16.8592 16.8701 k = 0.4479 0.3789-0.0000 ( 1278 PWs) bands (ev): -43.7986 -43.7986 -20.5475 -20.5394 -19.9274 -19.9234 -19.8489 -19.8438 -0.5665 -0.5596 6.1297 6.1359 9.6048 9.6120 9.7935 9.7959 12.2781 12.2875 14.0550 14.0652 15.2557 15.2579 15.4741 15.4870 16.9054 16.9172 k = 0.4427 0.3879-0.0000 ( 1278 PWs) bands (ev): -43.7985 -43.7985 -20.5480 -20.5391 -19.9269 -19.9225 -19.8507 -19.8452 -0.5583 -0.5507 6.1547 6.1616 9.4922 9.4996 9.7943 9.7967 12.3688 12.3787 14.0185 14.0293 15.2118 15.2138 15.4500 15.4634 16.9538 16.9663 k = 0.4375 0.3969-0.0000 ( 1278 PWs) bands (ev): -43.7984 -43.7984 -20.5484 -20.5389 -19.9264 -19.9215 -19.8527 -19.8468 -0.5495 -0.5413 6.1819 6.1895 9.3775 9.3851 9.7959 9.7984 12.4603 12.4704 13.9813 13.9927 15.1666 15.1686 15.4238 15.4376 17.0036 17.0169 k = 0.4323 0.4059-0.0000 ( 1279 PWs) bands (ev): -43.7983 -43.7983 -20.5489 -20.5386 -19.9258 -19.9205 -19.8547 -19.8485 -0.5402 -0.5314 6.2115 6.2197 9.2618 9.2693 9.7978 9.8003 12.5520 12.5625 13.9438 13.9557 15.1206 15.1226 15.3954 15.4098 17.0544 17.0683 k = 0.4271 0.4150-0.0000 ( 1279 PWs) bands (ev): -43.7982 -43.7982 -20.5494 -20.5384 -19.9252 -19.9195 -19.8569 -19.8503 -0.5304 -0.5210 6.2431 6.2521 9.1457 9.1531 9.7997 9.8024 12.6438 12.6548 13.9065 13.9188 15.0741 15.0762 15.3650 15.3799 17.1056 17.1201 k = 0.4219 0.4240-0.0000 ( 1283 PWs) bands (ev): -43.7981 -43.7981 -20.5498 -20.5382 -19.9245 -19.9184 -19.8591 -19.8522 -0.5203 -0.5103 6.2769 6.2867 9.0297 9.0369 9.8017 9.8046 12.7356 12.7470 13.8696 13.8824 15.0275 15.0297 15.3327 15.3481 17.1568 17.1719 k = 0.4167 0.4330-0.0000 ( 1287 PWs) bands (ev): -43.7980 -43.7980 -20.5503 -20.5381 -19.9238 -19.9173 -19.8613 -19.8542 -0.5098 -0.4993 6.3128 6.3233 8.9142 8.9212 9.8038 9.8067 12.8272 12.8390 13.8336 13.8467 14.9809 14.9833 15.2984 15.3145 17.2074 17.2230 k = 0.4115 0.4420-0.0000 ( 1293 PWs) bands (ev): -43.7978 -43.7978 -20.5508 -20.5380 -19.9231 -19.9161 -19.8637 -19.8564 -0.4991 -0.4880 6.3506 6.3619 8.7997 8.8064 9.8057 9.8088 12.9185 12.9308 13.7986 13.8120 14.9347 14.9373 15.2623 15.2791 17.2571 17.2732 k = 0.4062 0.4511-0.0000 ( 1289 PWs) bands (ev): -43.7977 -43.7977 -20.5512 -20.5378 -19.9222 -19.9147 -19.8659 -19.8584 -0.4883 -0.4767 6.3903 6.4025 8.6866 8.6930 9.8076 9.8108 13.0093 13.0223 13.7650 13.7786 14.8890 14.8918 15.2246 15.2420 17.3055 17.3220 k = 0.4010 0.4601-0.0000 ( 1285 PWs) bands (ev): -43.7976 -43.7976 -20.5516 -20.5377 -19.9213 -19.9134 -19.8681 -19.8605 -0.4774 -0.4653 6.4318 6.4449 8.5753 8.5812 9.8094 9.8127 13.0996 13.1132 13.7329 13.7468 14.8441 14.8470 15.1853 15.2035 17.3521 17.3690 k = 0.3958 0.4691-0.0000 ( 1289 PWs) bands (ev): -43.7975 -43.7975 -20.5520 -20.5376 -19.9205 -19.9121 -19.8704 -19.8628 -0.4666 -0.4541 6.4749 6.4889 8.4662 8.4716 9.8110 9.8145 13.1891 13.2035 13.7026 13.7167 14.8001 14.8031 15.1446 15.1636 17.3966 17.4139 k = 0.3906 0.4781-0.0000 ( 1293 PWs) bands (ev): -43.7974 -43.7974 -20.5524 -20.5376 -19.9196 -19.9107 -19.8727 -19.8651 -0.4559 -0.4430 6.5194 6.5345 8.3598 8.3645 9.8125 9.8161 13.2777 13.2930 13.6744 13.6886 14.7572 14.7603 15.1027 15.1225 17.4388 17.4564 k = 0.3854 0.4871-0.0000 ( 1293 PWs) bands (ev): -43.7973 -43.7973 -20.5528 -20.5375 -19.9187 -19.9093 -19.8749 -19.8673 -0.4456 -0.4323 6.5651 6.5813 8.2566 8.2605 9.8139 9.8175 13.3650 13.3815 13.6482 13.6626 14.7156 14.7186 15.0598 15.0805 17.4782 17.4961 k = 0.3802 0.4962-0.0000 ( 1293 PWs) bands (ev): -43.7972 -43.7972 -20.5531 -20.5375 -19.9178 -19.9078 -19.8770 -19.8695 -0.4356 -0.4219 6.6117 6.6292 8.1570 8.1600 9.8150 9.8188 13.4506 13.4686 13.6245 13.6388 14.6756 14.6784 15.0161 15.0379 17.5146 17.5328 k = 0.3750 0.5052-0.0000 ( 1293 PWs) bands (ev): -43.7971 -43.7971 -20.5535 -20.5375 -19.9169 -19.9063 -19.8789 -19.8717 -0.4261 -0.4121 6.6588 6.6777 8.0617 8.0636 9.8160 9.8198 13.5331 13.5537 13.6041 13.6175 14.6375 14.6399 14.9720 14.9948 17.5479 17.5663 k = 0.3698 0.5142-0.0000 ( 1299 PWs) bands (ev): -43.7970 -43.7970 -20.5538 -20.5375 -19.9161 -19.9049 -19.8809 -19.8739 -0.4173 -0.4030 6.7058 6.7263 7.9714 7.9720 9.8168 9.8207 13.5788 13.5970 13.6202 13.6379 14.6017 14.6033 14.9279 14.9517 17.5777 17.5963 k = 0.3646 0.5232-0.0000 ( 1303 PWs) bands (ev): -43.7969 -43.7969 -20.5541 -20.5376 -19.9153 -19.9034 -19.8826 -19.8761 -0.4093 -0.3947 6.7520 6.7744 7.8862 7.8872 9.8174 9.8214 13.5648 13.5810 13.6947 13.7169 14.5688 14.5694 14.8842 14.9092 17.6039 17.6227 k = 0.3594 0.5322-0.0000 ( 1303 PWs) bands (ev): -43.7968 -43.7968 -20.5544 -20.5376 -19.9146 -19.9020 -19.8842 -19.8780 -0.4021 -0.3873 6.7964 6.8208 7.8073 7.8102 9.8179 9.8219 13.5510 13.5669 13.7661 13.7916 14.5387 14.5397 14.8415 14.8678 17.6263 17.6453 k = 0.3542 0.5413-0.0000 ( 1303 PWs) bands (ev): -43.7968 -43.7968 -20.5546 -20.5376 -19.9140 -19.9006 -19.8855 -19.8798 -0.3959 -0.3810 6.8374 6.8641 7.7372 7.7421 9.8182 9.8222 13.5396 13.5554 13.8306 13.8595 14.5127 14.5156 14.8008 14.8284 17.6448 17.6639 k = 0.3490 0.5503-0.0000 ( 1303 PWs) bands (ev): -43.7967 -43.7967 -20.5547 -20.5376 -19.9134 -19.8994 -19.8865 -19.8814 -0.3909 -0.3758 6.8732 6.9022 7.6778 7.6850 9.8184 9.8225 13.5307 13.5465 13.8850 13.9177 14.4929 14.4980 14.7634 14.7924 17.6592 17.6785 k = 0.3438 0.5593-0.0000 ( 1307 PWs) bands (ev): -43.7967 -43.7967 -20.5549 -20.5377 -19.9131 -19.8984 -19.8873 -19.8828 -0.3872 -0.3720 6.9014 6.9326 7.6321 7.6415 9.8184 9.8226 13.5243 13.5401 13.9263 13.9625 14.4809 14.4881 14.7313 14.7618 17.6696 17.6889 k = 0.3385 0.5683-0.0000 ( 1307 PWs) bands (ev): -43.7967 -43.7967 -20.5550 -20.5377 -19.9129 -19.8977 -19.8878 -19.8836 -0.3849 -0.3696 6.9194 6.9523 7.6032 7.6142 9.8185 9.8226 13.5205 13.5363 13.9516 13.9904 14.4769 14.4852 14.7079 14.7398 17.6759 17.6952 k = 0.3333 0.5774-0.0000 ( 1299 PWs) bands (ev): -43.7966 -43.7966 -20.5549 -20.5376 -19.9126 -19.8975 -19.8879 -19.8838 -0.3841 -0.3688 6.9255 6.9590 7.5934 7.6049 9.8185 9.8226 13.5192 13.5350 13.9598 13.9995 14.4771 14.4856 14.6987 14.7313 17.6779 17.6973 k = 0.3333 0.5774-0.0000 ( 1299 PWs) bands (ev): -43.7966 -43.7966 -20.5549 -20.5376 -19.9126 -19.8975 -19.8879 -19.8838 -0.3841 -0.3688 6.9255 6.9590 7.5934 7.6049 9.8185 9.8226 13.5192 13.5350 13.9598 13.9995 14.4771 14.4856 14.6987 14.7313 17.6779 17.6973 k = 0.3281 0.5683-0.0000 ( 1303 PWs) bands (ev): -43.7967 -43.7967 -20.5549 -20.5377 -19.9128 -19.8977 -19.8877 -19.8836 -0.3849 -0.3696 6.9197 6.9526 7.6029 7.6139 9.8185 9.8226 13.5205 13.5363 13.9523 13.9912 14.4746 14.4832 14.7094 14.7410 17.6759 17.6952 k = 0.3229 0.5593-0.0000 ( 1303 PWs) bands (ev): -43.7967 -43.7967 -20.5548 -20.5376 -19.9130 -19.8983 -19.8873 -19.8828 -0.3875 -0.3723 6.9040 6.9353 7.6297 7.6392 9.8186 9.8227 13.5242 13.5400 13.9317 13.9688 14.4650 14.4743 14.7408 14.7700 17.6697 17.6890 k = 0.3177 0.5503-0.0000 ( 1299 PWs) bands (ev): -43.7967 -43.7967 -20.5547 -20.5376 -19.9132 -19.8992 -19.8866 -19.8815 -0.3920 -0.3768 6.8812 6.9106 7.6705 7.6781 9.8188 9.8229 13.5303 13.5461 13.9009 13.9356 14.4499 14.4598 14.7880 14.8142 17.6594 17.6786 k = 0.3125 0.5413-0.0000 ( 1299 PWs) bands (ev): -43.7968 -43.7968 -20.5545 -20.5375 -19.9135 -19.9002 -19.8857 -19.8801 -0.3984 -0.3834 6.8546 6.8818 7.7219 7.7274 9.8191 9.8232 13.5387 13.5545 13.8625 13.8946 14.4322 14.4423 14.8450 14.8685 17.6450 17.6642 k = 0.3073 0.5322-0.0000 ( 1299 PWs) bands (ev): -43.7969 -43.7969 -20.5542 -20.5374 -19.9138 -19.9012 -19.8846 -19.8785 -0.4069 -0.3921 6.8268 6.8519 7.7810 7.7846 9.8197 9.8238 13.5493 13.5651 13.8182 13.8477 14.4142 14.4241 14.9074 14.9287 17.6268 17.6458 k = 0.3021 0.5232-0.0000 ( 1299 PWs) bands (ev): -43.7970 -43.7970 -20.5538 -20.5372 -19.9141 -19.9022 -19.8834 -19.8768 -0.4174 -0.4029 6.7996 6.8227 7.8459 7.8478 9.8206 9.8246 13.5619 13.5779 13.7695 13.7964 14.3971 14.4065 14.9723 14.9919 17.6047 17.6236 k = 0.2969 0.5142-0.0000 ( 1299 PWs) bands (ev): -43.7971 -43.7971 -20.5534 -20.5370 -19.9144 -19.9032 -19.8821 -19.8750 -0.4302 -0.4159 6.7744 6.7958 7.9153 7.9157 9.8218 9.8258 13.5765 13.5927 13.7174 13.7418 14.3817 14.3903 15.0380 15.0563 17.5789 17.5976 k = 0.2917 0.5052-0.0000 ( 1295 PWs) bands (ev): -43.7972 -43.7972 -20.5529 -20.5368 -19.9145 -19.9041 -19.8806 -19.8731 -0.4452 -0.4312 6.7524 6.7722 7.9871 7.9881 9.8235 9.8273 13.5921 13.6094 13.6635 13.6846 14.3683 14.3759 15.1031 15.1204 17.5495 17.5680 k = 0.2865 0.4962-0.0000 ( 1291 PWs) bands (ev): -43.7974 -43.7974 -20.5522 -20.5364 -19.9146 -19.9048 -19.8790 -19.8711 -0.4625 -0.4488 6.7341 6.7524 8.0614 8.0635 9.8256 9.8294 13.5943 13.6225 13.6228 13.6306 14.3569 14.3635 15.1667 15.1832 17.5166 17.5350 k = 0.2812 0.4871-0.0000 ( 1285 PWs) bands (ev): -43.7976 -43.7975 -20.5515 -20.5360 -19.9145 -19.9055 -19.8773 -19.8691 -0.4820 -0.4687 6.7200 6.7370 8.1380 8.1412 9.8282 9.8319 13.5425 13.5642 13.6357 13.6487 14.3478 14.3533 15.2281 15.2441 17.4805 17.4986 k = 0.2760 0.4781-0.0000 ( 1285 PWs) bands (ev): -43.7978 -43.7978 -20.5508 -20.5356 -19.9144 -19.9061 -19.8756 -19.8671 -0.5038 -0.4908 6.7106 6.7264 8.2164 8.2205 9.8314 9.8350 13.4830 13.5023 13.6569 13.6706 14.3407 14.3453 15.2868 15.3024 17.4412 17.4591 k = 0.2708 0.4691-0.0000 ( 1285 PWs) bands (ev): -43.7980 -43.7980 -20.5499 -20.5352 -19.9142 -19.9065 -19.8739 -19.8651 -0.5278 -0.5153 6.7061 6.7206 8.2963 8.3012 9.8352 9.8388 13.4219 13.4395 13.6801 13.6940 14.3359 14.3394 15.3423 15.3576 17.3990 17.4167 k = 0.2656 0.4601-0.0000 ( 1285 PWs) bands (ev): -43.7982 -43.7982 -20.5490 -20.5347 -19.9139 -19.9069 -19.8720 -19.8631 -0.5541 -0.5420 6.7066 6.7200 8.3773 8.3830 9.8397 9.8432 13.3600 13.3761 13.7048 13.7188 14.3332 14.3357 15.3941 15.4093 17.3539 17.3713 k = 0.2604 0.4511-0.0000 ( 1285 PWs) bands (ev): -43.7985 -43.7985 -20.5480 -20.5341 -19.9135 -19.9071 -19.8702 -19.8610 -0.5826 -0.5709 6.7122 6.7246 8.4592 8.4656 9.8450 9.8484 13.2975 13.3124 13.7309 13.7448 14.3326 14.3341 15.4420 15.4571 17.3062 17.3234 k = 0.2552 0.4420-0.0000 ( 1285 PWs) bands (ev): -43.7988 -43.7988 -20.5470 -20.5335 -19.9130 -19.9072 -19.8683 -19.8590 -0.6131 -0.6019 6.7230 6.7344 8.5418 8.5488 9.8510 9.8543 13.2348 13.2486 13.7581 13.7719 14.3340 14.3345 15.4857 15.5007 17.2561 17.2729 k = 0.2500 0.4330-0.0000 ( 1289 PWs) bands (ev): -43.7991 -43.7991 -20.5458 -20.5328 -19.9124 -19.9072 -19.8663 -19.8569 -0.6457 -0.6350 6.7390 6.7494 8.6247 8.6322 9.8579 9.8611 13.1721 13.1848 13.7864 13.8001 14.3371 14.3375 15.5249 15.5401 17.2036 17.2202 k = 0.2448 0.4240-0.0000 ( 1285 PWs) bands (ev): -43.7995 -43.7995 -20.5445 -20.5320 -19.9116 -19.9070 -19.8643 -19.8548 -0.6802 -0.6700 6.7602 6.7697 8.7079 8.7158 9.8656 9.8687 13.1095 13.1213 13.8155 13.8290 14.3416 14.3430 15.5597 15.5749 17.1490 17.1653 k = 0.2396 0.4150-0.0000 ( 1283 PWs) bands (ev): -43.7998 -43.7998 -20.5432 -20.5311 -19.9107 -19.9067 -19.8622 -19.8527 -0.7166 -0.7068 6.7865 6.7951 8.7909 8.7993 9.8743 9.8773 13.0473 13.0582 13.8454 13.8588 14.3481 14.3504 15.5898 15.6052 17.0924 17.1084 k = 0.2344 0.4059-0.0000 ( 1287 PWs) bands (ev): -43.8002 -43.8002 -20.5418 -20.5302 -19.9097 -19.9063 -19.8602 -19.8506 -0.7546 -0.7454 6.8179 6.8256 8.8736 8.8824 9.8838 9.8867 12.9855 12.9956 13.8759 13.8891 14.3565 14.3597 15.6154 15.6309 17.0340 17.0497 k = 0.2292 0.3969-0.0000 ( 1287 PWs) bands (ev): -43.8006 -43.8006 -20.5404 -20.5292 -19.9086 -19.9057 -19.8581 -19.8485 -0.7943 -0.7855 6.8543 6.8611 8.9558 8.9650 9.8944 9.8972 12.9243 12.9337 13.9069 13.9199 14.3668 14.3709 15.6364 15.6521 16.9740 16.9894 k = 0.2240 0.3879-0.0000 ( 1287 PWs) bands (ev): -43.8010 -43.8010 -20.5388 -20.5282 -19.9074 -19.9051 -19.8559 -19.8464 -0.8354 -0.8271 6.8954 6.9015 9.0372 9.0467 9.9059 9.9086 12.8638 12.8725 13.9383 13.9512 14.3789 14.3839 15.6532 15.6691 16.9125 16.9276 k = 0.2188 0.3789-0.0000 ( 1283 PWs) bands (ev): -43.8014 -43.8014 -20.5372 -20.5270 -19.9061 -19.9042 -19.8537 -19.8442 -0.8779 -0.8701 6.9414 6.9467 9.1175 9.1274 9.9184 9.9210 12.8042 12.8123 13.9699 13.9826 14.3929 14.3987 15.6659 15.6819 16.8496 16.8644 k = 0.2135 0.3699-0.0000 ( 1281 PWs) bands (ev): -43.8019 -43.8019 -20.5355 -20.5258 -19.9047 -19.9033 -19.8514 -19.8420 -0.9216 -0.9142 6.9919 6.9965 9.1967 9.2068 9.9320 9.9344 12.7456 12.7530 14.0018 14.0143 14.4087 14.4154 15.6749 15.6911 16.7856 16.8001 k = 0.2083 0.3608-0.0000 ( 1285 PWs) bands (ev): -43.8024 -43.8024 -20.5338 -20.5247 -19.9033 -19.9024 -19.8492 -19.8399 -0.9663 -0.9594 7.0468 7.0508 9.2743 9.2846 9.9466 9.9489 12.6879 12.6948 14.0336 14.0460 14.4263 14.4338 15.6804 15.6968 16.7205 16.7347 k = 0.2031 0.3518-0.0000 ( 1285 PWs) bands (ev): -43.8029 -43.8029 -20.5320 -20.5234 -19.9018 -19.9013 -19.8469 -19.8377 -1.0119 -1.0055 7.1061 7.1094 9.3501 9.3607 9.9622 9.9644 12.6314 12.6378 14.0655 14.0776 14.4456 14.4539 15.6831 15.6996 16.6546 16.6684 k = 0.1979 0.3428-0.0000 ( 1285 PWs) bands (ev): -43.8034 -43.8034 -20.5302 -20.5220 -19.9002 -19.9001 -19.8445 -19.8355 -1.0583 -1.0523 7.1695 7.1721 9.4240 9.4347 9.9788 9.9809 12.5762 12.5820 14.0971 14.1090 14.4667 14.4758 15.6832 15.6999 16.5879 16.6014 k = 0.1927 0.3338-0.0000 ( 1285 PWs) bands (ev): -43.8039 -43.8039 -20.5283 -20.5206 -19.8988 -19.8986 -19.8421 -19.8333 -1.1053 -1.0997 7.2368 7.2389 9.4955 9.5064 9.9965 9.9985 12.5222 12.5275 14.1286 14.1403 14.4896 14.4994 15.6814 15.6983 16.5205 16.5338 k = 0.1875 0.3248-0.0000 ( 1283 PWs) bands (ev): -43.8044 -43.8044 -20.5264 -20.5192 -19.8974 -19.8969 -19.8396 -19.8311 -1.1527 -1.1475 7.3079 7.3094 9.5646 9.5755 10.0152 10.0171 12.4695 12.4744 14.1597 14.1711 14.5142 14.5247 15.6781 15.6951 16.4527 16.4657 k = 0.1823 0.3157-0.0000 ( 1283 PWs) bands (ev): -43.8049 -43.8049 -20.5244 -20.5177 -19.8959 -19.8952 -19.8371 -19.8288 -1.2005 -1.1957 7.3827 7.3836 9.6308 9.6418 10.0349 10.0367 12.4182 12.4226 14.1903 14.2016 14.5405 14.5518 15.6739 15.6910 16.3845 16.3972 k = 0.1771 0.3067-0.0000 ( 1283 PWs) bands (ev): -43.8055 -43.8055 -20.5225 -20.5162 -19.8944 -19.8935 -19.8346 -19.8266 -1.2485 -1.2441 7.4608 7.4613 9.6941 9.7051 10.0556 10.0572 12.3683 12.3723 14.2205 14.2315 14.5687 14.5806 15.6691 15.6863 16.3161 16.3285 k = 0.1719 0.2977-0.0000 ( 1271 PWs) bands (ev): -43.8060 -43.8060 -20.5204 -20.5146 -19.8928 -19.8916 -19.8319 -19.8241 -1.2965 -1.2924 7.5422 7.5423 9.7542 9.7652 10.0773 10.0788 12.3199 12.3234 14.2501 14.2609 14.5986 14.6112 15.6644 15.6817 16.2476 16.2597 k = 0.1667 0.2887-0.0000 ( 1271 PWs) bands (ev): -43.8066 -43.8066 -20.5184 -20.5131 -19.8912 -19.8899 -19.8292 -19.8218 -1.3444 -1.3407 7.6263 7.6267 9.8109 9.8218 10.0999 10.1012 12.2728 12.2760 14.2791 14.2897 14.6304 14.6435 15.6602 15.6775 16.1791 16.1909 k = 0.1615 0.2797-0.0000 ( 1275 PWs) bands (ev): -43.8072 -43.8072 -20.5165 -20.5115 -19.8896 -19.8882 -19.8266 -19.8195 -1.3921 -1.3887 7.7132 7.7140 9.8640 9.8748 10.1234 10.1246 12.2272 12.2300 14.3074 14.3177 14.6640 14.6776 15.6567 15.6740 16.1107 16.1222 k = 0.1562 0.2706-0.0000 ( 1273 PWs) bands (ev): -43.8077 -43.8077 -20.5145 -20.5099 -19.8880 -19.8864 -19.8238 -19.8171 -1.4395 -1.4364 7.8028 7.8039 9.9134 9.9240 10.1477 10.1487 12.1830 12.1854 14.3350 14.3450 14.6996 14.7136 15.6545 15.6717 16.0425 16.0539 k = 0.1510 0.2616-0.0000 ( 1273 PWs) bands (ev): -43.8083 -43.8083 -20.5125 -20.5084 -19.8863 -19.8847 -19.8210 -19.8147 -1.4864 -1.4836 7.8949 7.8963 9.9590 9.9695 10.1728 10.1737 12.1402 12.1422 14.3617 14.3715 14.7370 14.7514 15.6537 15.6707 15.9747 15.9859 k = 0.1458 0.2526-0.0000 ( 1273 PWs) bands (ev): -43.8089 -43.8089 -20.5106 -20.5068 -19.8846 -19.8830 -19.8182 -19.8123 -1.5328 -1.5302 7.9892 7.9909 10.0008 10.0111 10.1985 10.1993 12.0986 12.1004 14.3876 14.3972 14.7765 14.7911 15.6546 15.6713 15.9074 15.9185 k = 0.1406 0.2436-0.0000 ( 1273 PWs) bands (ev): -43.8094 -43.8094 -20.5086 -20.5052 -19.8829 -19.8813 -19.8153 -19.8099 -1.5784 -1.5762 8.0855 8.0876 10.0388 10.0489 10.2249 10.2255 12.0584 12.0598 14.4127 14.4219 14.8179 14.8327 15.6574 15.6735 15.8407 15.8520 k = 0.1354 0.2345-0.0000 ( 1269 PWs) bands (ev): -43.8100 -43.8100 -20.5067 -20.5036 -19.8812 -19.8796 -19.8125 -19.8074 -1.6233 -1.6213 8.1837 8.1860 10.0731 10.0829 10.2517 10.2522 12.0193 12.0205 14.4368 14.4458 14.8612 14.8762 15.6621 15.6770 15.7747 15.7868 k = 0.1302 0.2255-0.0000 ( 1269 PWs) bands (ev): -43.8106 -43.8106 -20.5048 -20.5021 -19.8796 -19.8781 -19.8096 -19.8049 -1.6673 -1.6655 8.2835 8.2860 10.1038 10.1132 10.2789 10.2793 11.9813 11.9823 14.4600 14.4687 14.9065 14.9215 15.6687 15.6787 15.7097 15.7261 k = 0.1250 0.2165-0.0000 ( 1269 PWs) bands (ev): -43.8111 -43.8111 -20.5030 -20.5006 -19.8780 -19.8765 -19.8067 -19.8024 -1.7103 -1.7087 8.3846 8.3872 10.1309 10.1400 10.3064 10.3067 11.9444 11.9452 14.4822 14.4907 14.9537 14.9687 15.6451 15.6474 15.6778 15.7012 k = 0.1198 0.2075-0.0000 ( 1269 PWs) bands (ev): -43.8117 -43.8117 -20.5013 -20.4991 -19.8764 -19.8751 -19.8037 -19.7999 -1.7522 -1.7508 8.4867 8.4896 10.1546 10.1633 10.3341 10.3343 11.9085 11.9091 14.5035 14.5116 15.0027 15.0175 15.5821 15.5878 15.6884 15.7078 k = 0.1146 0.1985-0.0000 ( 1273 PWs) bands (ev): -43.8122 -43.8122 -20.4996 -20.4976 -19.8749 -19.8737 -19.8009 -19.7974 -1.7929 -1.7917 8.5897 8.5927 10.1752 10.1834 10.3619 10.3620 11.8735 11.8739 14.5238 14.5316 15.0535 15.0680 15.5202 15.5265 15.7009 15.7189 k = 0.1094 0.1894-0.0000 ( 1269 PWs) bands (ev): -43.8128 -43.8128 -20.4979 -20.4962 -19.8734 -19.8723 -19.7980 -19.7949 -1.8324 -1.8313 8.6932 8.6963 10.1926 10.2005 10.3898 10.3899 11.8393 11.8395 14.5431 14.5506 15.1057 15.1199 15.4596 15.4659 15.7151 15.7323 k = 0.1042 0.1804-0.0000 ( 1269 PWs) bands (ev): -43.8133 -43.8133 -20.4962 -20.4948 -19.8720 -19.8710 -19.7951 -19.7924 -1.8705 -1.8696 8.7969 8.8000 10.2073 10.2147 10.4176 10.4177 11.8059 11.8060 14.5614 14.5686 15.1594 15.1730 15.4005 15.4067 15.7309 15.7473 k = 0.0990 0.1714-0.0000 ( 1269 PWs) bands (ev): -43.8138 -43.8138 -20.4947 -20.4934 -19.8706 -19.8697 -19.7923 -19.7899 -1.9073 -1.9065 8.9005 8.9037 10.2193 10.2263 10.4453 10.4453 11.7732 11.7732 14.5787 14.5856 15.2141 15.2270 15.3433 15.3489 15.7480 15.7638 k = 0.0938 0.1624-0.0000 ( 1265 PWs) bands (ev): -43.8143 -43.8143 -20.4932 -20.4921 -19.8693 -19.8685 -19.7895 -19.7874 -1.9426 -1.9419 9.0037 9.0069 10.2290 10.2355 10.4728 10.4728 11.7411 11.7411 14.5951 14.6016 15.2690 15.2747 15.2937 15.2950 15.7663 15.7813 k = 0.0885 0.1534-0.0000 ( 1267 PWs) bands (ev): -43.8148 -43.8148 -20.4918 -20.4909 -19.8681 -19.8674 -19.7868 -19.7850 -1.9763 -1.9757 9.1061 9.1093 10.2365 10.2426 10.4999 10.4999 11.7097 11.7098 14.6104 14.6167 15.2316 15.2381 15.3268 15.3400 15.7854 15.7997 k = 0.0833 0.1443-0.0000 ( 1267 PWs) bands (ev): -43.8152 -43.8152 -20.4905 -20.4897 -19.8670 -19.8663 -19.7841 -19.7826 -2.0084 -2.0079 9.2073 9.2105 10.2422 10.2478 10.5266 10.5266 11.6789 11.6791 14.6248 14.6307 15.1800 15.1859 15.3835 15.3958 15.8052 15.8188 k = 0.0781 0.1353-0.0000 ( 1261 PWs) bands (ev): -43.8156 -43.8156 -20.4891 -20.4885 -19.8658 -19.8653 -19.7815 -19.7803 -2.0389 -2.0385 9.3069 9.3100 10.2462 10.2514 10.5527 10.5527 11.6488 11.6490 14.6382 14.6438 15.1302 15.1357 15.4403 15.4519 15.8254 15.8382 k = 0.0729 0.1263-0.0000 ( 1265 PWs) bands (ev): -43.8161 -43.8161 -20.4880 -20.4875 -19.8648 -19.8644 -19.7791 -19.7781 -2.0676 -2.0673 9.4045 9.4076 10.2488 10.2536 10.5781 10.5781 11.6194 11.6195 14.6507 14.6559 15.0827 15.0878 15.4969 15.5078 15.8457 15.8577 k = 0.0677 0.1173-0.0000 ( 1265 PWs) bands (ev): -43.8164 -43.8164 -20.4869 -20.4864 -19.8639 -19.8635 -19.7768 -19.7760 -2.0946 -2.0943 9.4997 9.5026 10.2503 10.2546 10.6025 10.6025 11.5906 11.5908 14.6622 14.6671 15.0376 15.0423 15.5529 15.5631 15.8660 15.8772 k = 0.0625 0.1083-0.0000 ( 1265 PWs) bands (ev): -43.8168 -43.8168 -20.4858 -20.4855 -19.8630 -19.8628 -19.7746 -19.7739 -2.1197 -2.1195 9.5918 9.5947 10.2508 10.2548 10.6260 10.6260 11.5626 11.5627 14.6728 14.6773 14.9950 14.9994 15.6080 15.6174 15.8859 15.8962 k = 0.0573 0.0992-0.0000 ( 1255 PWs) bands (ev): -43.8171 -43.8171 -20.4848 -20.4845 -19.8622 -19.8619 -19.7724 -19.7719 -2.1430 -2.1429 9.6805 9.6832 10.2506 10.2542 10.6483 10.6483 11.5354 11.5355 14.6825 14.6866 14.9552 14.9593 15.6617 15.6704 15.9052 15.9147 k = 0.0521 0.0902-0.0000 ( 1257 PWs) bands (ev): -43.8175 -43.8175 -20.4839 -20.4837 -19.8614 -19.8613 -19.7705 -19.7701 -2.1645 -2.1643 9.7651 9.7676 10.2499 10.2531 10.6692 10.6693 11.5091 11.5092 14.6913 14.6950 14.9183 14.9220 15.7138 15.7217 15.9238 15.9324 k = 0.0469 0.0812-0.0000 ( 1257 PWs) bands (ev): -43.8178 -43.8178 -20.4831 -20.4830 -19.8608 -19.8607 -19.7687 -19.7684 -2.1839 -2.1838 9.8450 9.8473 10.2488 10.2517 10.6888 10.6888 11.4838 11.4838 14.6992 14.7025 14.8844 14.8878 15.7637 15.7708 15.9413 15.9490 k = 0.0417 0.0722-0.0000 ( 1255 PWs) bands (ev): -43.8180 -43.8180 -20.4824 -20.4823 -19.8602 -19.8601 -19.7671 -19.7669 -2.2014 -2.2014 9.9195 9.9216 10.2476 10.2501 10.7067 10.7067 11.4597 11.4597 14.7061 14.7091 14.8538 14.8567 15.8110 15.8174 15.9576 15.9644 k = 0.0365 0.0631-0.0000 ( 1255 PWs) bands (ev): -43.8182 -43.8182 -20.4818 -20.4817 -19.8597 -19.8596 -19.7656 -19.7655 -2.2170 -2.2169 9.9878 9.9897 10.2464 10.2485 10.7229 10.7229 11.4370 11.4370 14.7122 14.7148 14.8264 14.8290 15.8554 15.8610 15.9724 15.9784 k = 0.0312 0.0541-0.0000 ( 1259 PWs) bands (ev): -43.8185 -43.8185 -20.4813 -20.4812 -19.8593 -19.8593 -19.7644 -19.7643 -2.2305 -2.2304 10.0492 10.0509 10.2453 10.2471 10.7372 10.7372 11.4160 11.4160 14.7173 14.7195 14.8027 14.8049 15.8961 15.9009 15.9857 15.9908 k = 0.0260 0.0451-0.0000 ( 1263 PWs) bands (ev): -43.8186 -43.8186 -20.4809 -20.4808 -19.8590 -19.8589 -19.7634 -19.7634 -2.2419 -2.2419 10.1027 10.1041 10.2447 10.2462 10.7495 10.7496 11.3971 11.3971 14.7214 14.7232 14.7826 14.7844 15.9325 15.9366 15.9973 16.0015 k = 0.0208 0.0361-0.0000 ( 1263 PWs) bands (ev): -43.8188 -43.8188 -20.4805 -20.4805 -19.8587 -19.8586 -19.7625 -19.7625 -2.2513 -2.2513 10.1472 10.1483 10.2450 10.2461 10.7598 10.7598 11.3807 11.3807 14.7244 14.7258 14.7665 14.7679 15.9640 15.9673 16.0070 16.0104 k = 0.0156 0.0271-0.0000 ( 1267 PWs) bands (ev): -43.8189 -43.8189 -20.4802 -20.4802 -19.8585 -19.8585 -19.7619 -19.7619 -2.2587 -2.2587 10.1812 10.1819 10.2469 10.2476 10.7679 10.7679 11.3673 11.3673 14.7260 14.7268 14.7549 14.7557 15.9897 15.9922 16.0149 16.0174 k = 0.0104 0.0180-0.0000 ( 1271 PWs) bands (ev): -43.8190 -43.8190 -20.4801 -20.4801 -19.8583 -19.8583 -19.7614 -19.7614 -2.2639 -2.2639 10.2033 10.2036 10.2513 10.2515 10.7738 10.7738 11.3573 11.3573 14.7258 14.7262 14.7479 14.7482 16.0088 16.0104 16.0208 16.0224 k = 0.0052 0.0090-0.0000 ( 1271 PWs) bands (ev): -43.8190 -43.8190 -20.4799 -20.4799 -19.8582 -19.8582 -19.7611 -19.7611 -2.2671 -2.2671 10.2140 10.2140 10.2567 10.2567 10.7773 10.7773 11.3511 11.3511 14.7246 14.7247 14.7448 14.7448 16.0202 16.0207 16.0253 16.0258 k = 0.0000 0.0000 0.0000 ( 1279 PWs) bands (ev): -43.8191 -43.8191 -20.4800 -20.4800 -19.8583 -19.8583 -19.7611 -19.7611 -2.2681 -2.2681 10.2168 10.2168 10.2592 10.2592 10.7785 10.7785 11.3490 11.3490 14.7239 14.7239 14.7439 14.7439 16.0234 16.0234 16.0277 16.0277 k = 0.0000 0.0000 0.0000 ( 1279 PWs) bands (ev): -43.8191 -43.8191 -20.4800 -20.4800 -19.8583 -19.8583 -19.7611 -19.7611 -2.2681 -2.2681 10.2168 10.2168 10.2592 10.2592 10.7785 10.7785 11.3490 11.3490 14.7239 14.7239 14.7439 14.7439 16.0234 16.0234 16.0277 16.0277 k = 0.0000 0.0000 0.0104 ( 1267 PWs) bands (ev): -43.8190 -43.8190 -20.4799 -20.4799 -19.8583 -19.8583 -19.7610 -19.7610 -2.2670 -2.2670 10.2173 10.2173 10.2597 10.2600 10.7502 10.7502 11.3747 11.3747 14.7193 14.7193 14.7372 14.7411 16.0266 16.0266 16.0288 16.0332 k = 0.0000 0.0000 0.0209 ( 1267 PWs) bands (ev): -43.8190 -43.8190 -20.4802 -20.4802 -19.8586 -19.8586 -19.7609 -19.7609 -2.2635 -2.2635 10.2188 10.2188 10.2613 10.2620 10.6769 10.6769 11.4405 11.4405 14.7055 14.7055 14.7211 14.7289 16.0361 16.0361 16.0364 16.0450 k = 0.0000 0.0000 0.0313 ( 1267 PWs) bands (ev): -43.8189 -43.8189 -20.4805 -20.4805 -19.8591 -19.8591 -19.7608 -19.7608 -2.2578 -2.2578 10.2211 10.2211 10.2642 10.2652 10.5771 10.5771 11.5280 11.5280 14.6831 14.6831 14.6965 14.7078 16.0500 16.0512 16.0512 16.0625 k = 0.0000 0.0000 0.0418 ( 1268 PWs) bands (ev): -43.8188 -43.8188 -20.4811 -20.4811 -19.8598 -19.8598 -19.7607 -19.7607 -2.2497 -2.2497 10.2236 10.2236 10.2683 10.2696 10.4633 10.4633 11.6256 11.6256 14.6531 14.6531 14.6641 14.6786 16.0686 16.0710 16.0710 16.0846 k = 0.0000 0.0000 0.0522 ( 1268 PWs) bands (ev): -43.8187 -43.8187 -20.4818 -20.4818 -19.8607 -19.8607 -19.7606 -19.7606 -2.2394 -2.2394 10.2230 10.2230 10.2736 10.2752 10.3445 10.3445 11.7275 11.7275 14.6163 14.6163 14.6252 14.6423 16.0911 16.0944 16.0944 16.1102 k = 0.0000 0.0000 0.0627 ( 1268 PWs) bands (ev): -43.8185 -43.8185 -20.4826 -20.4826 -19.8618 -19.8618 -19.7604 -19.7604 -2.2268 -2.2268 10.1814 10.1814 10.2619 10.2619 10.2801 10.2820 11.8309 11.8309 14.5739 14.5739 14.5807 14.6002 16.1164 16.1204 16.1204 16.1381 k = 0.0000 0.0000 0.0731 ( 1280 PWs) bands (ev): -43.8183 -43.8183 -20.4837 -20.4837 -19.8633 -19.8633 -19.7602 -19.7602 -2.2121 -2.2121 10.0606 10.0606 10.2552 10.2552 10.2877 10.2900 11.9346 11.9346 14.5269 14.5269 14.5318 14.5532 16.1433 16.1477 16.1477 16.1673 k = 0.0000 0.0000 0.0836 ( 1280 PWs) bands (ev): -43.8181 -43.8181 -20.4848 -20.4848 -19.8647 -19.8647 -19.7600 -19.7600 -2.1951 -2.1951 9.9249 9.9249 10.2612 10.2612 10.2965 10.2990 12.0377 12.0377 14.4763 14.4763 14.4793 14.5023 16.1706 16.1753 16.1753 16.1965 k = 0.0000 0.0000 0.0940 ( 1268 PWs) bands (ev): -43.8179 -43.8179 -20.4860 -20.4860 -19.8662 -19.8662 -19.7596 -19.7596 -2.1759 -2.1759 9.7850 9.7850 10.2699 10.2699 10.3063 10.3092 12.1399 12.1399 14.4229 14.4229 14.4242 14.4486 16.1974 16.2022 16.2022 16.2250 k = 0.0000 0.0000 0.1045 ( 1268 PWs) bands (ev): -43.8176 -43.8176 -20.4874 -20.4874 -19.8680 -19.8680 -19.7593 -19.7593 -2.1547 -2.1547 9.6424 9.6424 10.2801 10.2801 10.3172 10.3204 12.2412 12.2412 14.3671 14.3674 14.3674 14.3926 16.2229 16.2277 16.2277 16.2517 k = 0.0000 0.0000 0.1149 ( 1268 PWs) bands (ev): -43.8173 -43.8173 -20.4889 -20.4889 -19.8700 -19.8700 -19.7590 -19.7590 -2.1313 -2.1313 9.4980 9.4980 10.2916 10.2916 10.3290 10.3326 12.3413 12.3413 14.3088 14.3106 14.3106 14.3352 16.2462 16.2509 16.2509 16.2761 k = 0.0000 0.0000 0.1253 ( 1268 PWs) bands (ev): -43.8170 -43.8170 -20.4906 -20.4906 -19.8720 -19.8720 -19.7586 -19.7586 -2.1060 -2.1060 9.3523 9.3523 10.3041 10.3041 10.3419 10.3457 12.4405 12.4405 14.2497 14.2530 14.2530 14.2770 16.2667 16.2712 16.2712 16.2975 k = 0.0000 0.0000 0.1358 ( 1274 PWs) bands (ev): -43.8167 -43.8167 -20.4925 -20.4925 -19.8743 -19.8743 -19.7582 -19.7582 -2.0786 -2.0786 9.2055 9.2055 10.3176 10.3176 10.3556 10.3598 12.5387 12.5387 14.1903 14.1951 14.1951 14.2183 16.2839 16.2882 16.2882 16.3154 k = 0.0000 0.0000 0.1462 ( 1274 PWs) bands (ev): -43.8163 -43.8163 -20.4944 -20.4944 -19.8766 -19.8766 -19.7578 -19.7578 -2.0494 -2.0494 9.0582 9.0582 10.3320 10.3320 10.3702 10.3747 12.6361 12.6361 14.1312 14.1374 14.1374 14.1598 16.2973 16.3013 16.3013 16.3294 k = 0.0000 0.0000 0.1567 ( 1274 PWs) bands (ev): -43.8159 -43.8159 -20.4965 -20.4965 -19.8790 -19.8790 -19.7574 -19.7574 -2.0183 -2.0183 8.9105 8.9105 10.3471 10.3471 10.3855 10.3904 12.7328 12.7328 14.0726 14.0802 14.0802 14.1017 16.3065 16.3102 16.3102 16.3391 k = 0.0000 0.0000 0.1671 ( 1274 PWs) bands (ev): -43.8155 -43.8155 -20.4987 -20.4987 -19.8815 -19.8815 -19.7569 -19.7569 -1.9855 -1.9855 8.7628 8.7628 10.3630 10.3630 10.4016 10.4067 12.8289 12.8289 14.0149 14.0238 14.0238 14.0444 16.3114 16.3147 16.3147 16.3443 k = 0.0000 0.0000 0.1776 ( 1274 PWs) bands (ev): -43.8151 -43.8151 -20.5010 -20.5010 -19.8841 -19.8841 -19.7564 -19.7564 -1.9509 -1.9509 8.6154 8.6154 10.3794 10.3794 10.4183 10.4237 12.9244 12.9244 13.9584 13.9687 13.9687 13.9883 16.3118 16.3146 16.3146 16.3449 k = 0.0000 0.0000 0.1880 ( 1274 PWs) bands (ev): -43.8147 -43.8147 -20.5034 -20.5034 -19.8867 -19.8867 -19.7559 -19.7559 -1.9148 -1.9148 8.4685 8.4685 10.3965 10.3965 10.4355 10.4413 13.0195 13.0195 13.9033 13.9149 13.9149 13.9335 16.3075 16.3098 16.3098 16.3407 k = 0.0000 0.0000 0.1985 ( 1262 PWs) bands (ev): -43.8143 -43.8143 -20.5058 -20.5058 -19.8892 -19.8892 -19.7552 -19.7552 -1.8771 -1.8771 8.3223 8.3223 10.4140 10.4140 10.4533 10.4593 13.1142 13.1142 13.8500 13.8629 13.8629 13.8804 16.2986 16.3003 16.3003 16.3318 k = 0.0000 0.0000 0.2089 ( 1262 PWs) bands (ev): -43.8138 -43.8138 -20.5083 -20.5083 -19.8919 -19.8919 -19.7547 -19.7547 -1.8381 -1.8381 8.1773 8.1773 10.4318 10.4318 10.4714 10.4778 13.2087 13.2087 13.7985 13.8128 13.8128 13.8292 16.2850 16.2862 16.2862 16.3182 k = 0.0000 0.0000 0.2194 ( 1262 PWs) bands (ev): -43.8134 -43.8134 -20.5110 -20.5110 -19.8946 -19.8946 -19.7542 -19.7542 -1.7977 -1.7977 8.0335 8.0335 10.4499 10.4499 10.4898 10.4965 13.3028 13.3028 13.7492 13.7649 13.7649 13.7801 16.2670 16.2674 16.2674 16.2999 k = 0.0000 0.0000 0.2298 ( 1262 PWs) bands (ev): -43.8129 -43.8129 -20.5137 -20.5137 -19.8973 -19.8973 -19.7536 -19.7536 -1.7561 -1.7561 7.8912 7.8912 10.4683 10.4683 10.5085 10.5153 13.3965 13.3965 13.7021 13.7194 13.7194 13.7331 16.2443 16.2443 16.2446 16.2773 k = 0.0000 0.0000 0.2402 ( 1262 PWs) bands (ev): -43.8125 -43.8125 -20.5165 -20.5165 -19.9000 -19.9000 -19.7531 -19.7531 -1.7135 -1.7135 7.7507 7.7507 10.4867 10.4867 10.5272 10.5343 13.4896 13.4896 13.6575 13.6766 13.6766 13.6886 16.2170 16.2170 16.2181 16.2505 k = 0.0000 0.0000 0.2507 ( 1274 PWs) bands (ev): -43.8120 -43.8120 -20.5195 -20.5195 -19.9028 -19.9028 -19.7526 -19.7526 -1.6699 -1.6699 7.6123 7.6123 10.5051 10.5051 10.5459 10.5533 13.5797 13.5797 13.6155 13.6391 13.6391 13.6467 16.1857 16.1857 16.1876 16.2197 k = 0.0000 0.0000 0.2611 ( 1274 PWs) bands (ev): -43.8116 -43.8116 -20.5223 -20.5223 -19.9054 -19.9054 -19.7521 -19.7521 -1.6255 -1.6255 7.4761 7.4761 10.5233 10.5233 10.5646 10.5721 13.5762 13.5935 13.5935 13.6074 13.6802 13.6802 16.1508 16.1508 16.1536 16.1853 k = 0.0000 0.0000 0.2716 ( 1274 PWs) bands (ev): -43.8111 -43.8111 -20.5252 -20.5252 -19.9080 -19.9080 -19.7515 -19.7515 -1.5805 -1.5805 7.3425 7.3425 10.5414 10.5414 10.5830 10.5907 13.5397 13.5601 13.5601 13.5709 13.7708 13.7708 16.1126 16.1126 16.1164 16.1476 k = 0.0000 0.0000 0.2820 ( 1274 PWs) bands (ev): -43.8106 -43.8106 -20.5281 -20.5281 -19.9105 -19.9105 -19.7510 -19.7510 -1.5350 -1.5350 7.2116 7.2116 10.5591 10.5591 10.6011 10.6090 13.5062 13.5282 13.5282 13.5372 13.8622 13.8622 16.0715 16.0715 16.0762 16.1068 k = 0.0000 0.0000 0.2925 ( 1274 PWs) bands (ev): -43.8102 -43.8102 -20.5310 -20.5310 -19.9130 -19.9130 -19.7505 -19.7505 -1.4892 -1.4892 7.0837 7.0837 10.5765 10.5765 10.6189 10.6268 13.4756 13.4991 13.4991 13.5065 13.9531 13.9531 16.0276 16.0276 16.0334 16.0635 k = 0.0000 0.0000 0.3029 ( 1262 PWs) bands (ev): -43.8097 -43.8097 -20.5337 -20.5337 -19.9152 -19.9152 -19.7499 -19.7499 -1.4432 -1.4432 6.9591 6.9591 10.5933 10.5933 10.6362 10.6442 13.4481 13.4729 13.4729 13.4787 14.0431 14.0431 15.9816 15.9816 15.9884 16.0179 k = 0.0000 0.0000 0.3134 ( 1256 PWs) bands (ev): -43.8092 -43.8092 -20.5365 -20.5365 -19.9175 -19.9175 -19.7493 -19.7493 -1.3973 -1.3973 6.8380 6.8380 10.6096 10.6096 10.6529 10.6609 13.4236 13.4497 13.4497 13.4539 14.1319 14.1319 15.9337 15.9337 15.9417 15.9704 k = 0.0000 0.0000 0.3238 ( 1262 PWs) bands (ev): -43.8088 -43.8088 -20.5395 -20.5395 -19.9198 -19.9198 -19.7488 -19.7488 -1.3516 -1.3516 6.7207 6.7207 10.6251 10.6251 10.6689 10.6769 13.4023 13.4295 13.4295 13.4321 14.2194 14.2194 15.8843 15.8843 15.8935 15.9215 k = 0.0000 0.0000 0.3343 ( 1262 PWs) bands (ev): -43.8084 -43.8084 -20.5422 -20.5422 -19.9219 -19.9219 -19.7483 -19.7483 -1.3064 -1.3064 6.6075 6.6075 10.6400 10.6400 10.6842 10.6922 13.3839 13.4122 13.4122 13.4132 14.3052 14.3052 15.8339 15.8339 15.8443 15.8716 k = 0.0000 0.0000 0.3447 ( 1274 PWs) bands (ev): -43.8080 -43.8080 -20.5451 -20.5451 -19.9241 -19.9241 -19.7480 -19.7480 -1.2619 -1.2619 6.4986 6.4986 10.6540 10.6540 10.6987 10.7066 13.3685 13.3972 13.3979 13.3979 14.3891 14.3891 15.7829 15.7829 15.7945 15.8210 k = 0.0000 0.0000 0.3552 ( 1274 PWs) bands (ev): -43.8076 -43.8076 -20.5477 -20.5477 -19.9261 -19.9261 -19.7475 -19.7475 -1.2182 -1.2182 6.3943 6.3943 10.6672 10.6672 10.7124 10.7201 13.3560 13.3840 13.3864 13.3864 14.4706 14.4706 15.7316 15.7316 15.7446 15.7701 k = 0.0000 0.0000 0.3656 ( 1286 PWs) bands (ev): -43.8073 -43.8073 -20.5504 -20.5504 -19.9280 -19.9280 -19.7471 -19.7471 -1.1758 -1.1758 6.2949 6.2949 10.6796 10.6796 10.7253 10.7327 13.3462 13.3734 13.3776 13.3776 14.5496 14.5496 15.6806 15.6806 15.6950 15.7195 k = 0.0000 0.0000 0.3760 ( 1292 PWs) bands (ev): -43.8069 -43.8069 -20.5529 -20.5529 -19.9298 -19.9298 -19.7468 -19.7468 -1.1347 -1.1347 6.2006 6.2006 10.6910 10.6910 10.7372 10.7443 13.3391 13.3652 13.3713 13.3713 14.6256 14.6256 15.6302 15.6302 15.6460 15.6695 k = 0.0000 0.0000 0.3865 ( 1292 PWs) bands (ev): -43.8066 -43.8066 -20.5552 -20.5552 -19.9314 -19.9314 -19.7464 -19.7464 -1.0953 -1.0953 6.1119 6.1119 10.7015 10.7015 10.7481 10.7550 13.3343 13.3593 13.3673 13.3673 14.6982 14.6982 15.5809 15.5809 15.5983 15.6206 k = 0.0000 0.0000 0.3969 ( 1292 PWs) bands (ev): -43.8063 -43.8063 -20.5573 -20.5573 -19.9329 -19.9329 -19.7460 -19.7460 -1.0578 -1.0578 6.0289 6.0289 10.7110 10.7110 10.7582 10.7646 13.3317 13.3555 13.3653 13.3653 14.7671 14.7671 15.5332 15.5332 15.5521 15.5732 k = 0.0000 0.0000 0.4074 ( 1292 PWs) bands (ev): -43.8060 -43.8060 -20.5594 -20.5594 -19.9343 -19.9343 -19.7457 -19.7457 -1.0225 -1.0225 5.9519 5.9519 10.7196 10.7196 10.7673 10.7733 13.3311 13.3534 13.3652 13.3652 14.8318 14.8318 15.4874 15.4874 15.5080 15.5277 k = 0.0000 0.0000 0.4178 ( 1292 PWs) bands (ev): -43.8057 -43.8057 -20.5612 -20.5612 -19.9355 -19.9355 -19.7454 -19.7454 -0.9895 -0.9895 5.8812 5.8812 10.7273 10.7273 10.7754 10.7810 13.3320 13.3528 13.3666 13.3666 14.8919 14.8919 15.4442 15.4442 15.4664 15.4846 k = 0.0000 0.0000 0.4283 ( 1310 PWs) bands (ev): -43.8055 -43.8055 -20.5632 -20.5632 -19.9368 -19.9368 -19.7452 -19.7452 -0.9593 -0.9593 5.8171 5.8171 10.7341 10.7341 10.7827 10.7878 13.3343 13.3533 13.3692 13.3692 14.9470 14.9470 15.4038 15.4038 15.4277 15.4443 k = 0.0000 0.0000 0.4387 ( 1310 PWs) bands (ev): -43.8053 -43.8053 -20.5647 -20.5647 -19.9378 -19.9378 -19.7450 -19.7450 -0.9319 -0.9319 5.7599 5.7599 10.7400 10.7400 10.7891 10.7936 13.3376 13.3547 13.3726 13.3726 14.9968 14.9968 15.3669 15.3669 15.3924 15.4074 k = 0.0000 0.0000 0.4492 ( 1310 PWs) bands (ev): -43.8051 -43.8051 -20.5660 -20.5660 -19.9386 -19.9386 -19.7448 -19.7448 -0.9077 -0.9077 5.7097 5.7097 10.7451 10.7451 10.7946 10.7985 13.3415 13.3565 13.3765 13.3765 15.0407 15.0407 15.3338 15.3338 15.3610 15.3741 k = 0.0000 0.0000 0.4596 ( 1310 PWs) bands (ev): -43.8049 -43.8049 -20.5672 -20.5672 -19.9394 -19.9394 -19.7446 -19.7446 -0.8868 -0.8868 5.6669 5.6669 10.7493 10.7493 10.7992 10.8025 13.3458 13.3586 13.3805 13.3805 15.0786 15.0786 15.3050 15.3050 15.3338 15.3450 k = 0.0000 0.0000 0.4701 ( 1310 PWs) bands (ev): -43.8048 -43.8048 -20.5681 -20.5681 -19.9400 -19.9400 -19.7444 -19.7444 -0.8694 -0.8694 5.6315 5.6315 10.7527 10.7527 10.8030 10.8057 13.3500 13.3604 13.3843 13.3843 15.1099 15.1099 15.2809 15.2809 15.3112 15.3203 k = 0.0000 0.0000 0.4805 ( 1310 PWs) bands (ev): -43.8047 -43.8047 -20.5689 -20.5689 -19.9404 -19.9404 -19.7443 -19.7443 -0.8558 -0.8558 5.6038 5.6038 10.7553 10.7553 10.8061 10.8081 13.3540 13.3619 13.3876 13.3876 15.1345 15.1345 15.2618 15.2618 15.2936 15.3005 k = 0.0000 0.0000 0.4909 ( 1310 PWs) bands (ev): -43.8046 -43.8046 -20.5694 -20.5694 -19.9408 -19.9408 -19.7442 -19.7442 -0.8459 -0.8459 5.5840 5.5840 10.7572 10.7572 10.8083 10.8097 13.3574 13.3627 13.3902 13.3902 15.1522 15.1522 15.2480 15.2480 15.2811 15.2858 k = 0.0000 0.0000 0.5014 ( 1310 PWs) bands (ev): -43.8046 -43.8046 -20.5697 -20.5697 -19.9410 -19.9410 -19.7441 -19.7441 -0.8399 -0.8399 5.5720 5.5720 10.7583 10.7583 10.8098 10.8105 13.3601 13.3628 13.3918 13.3918 15.1627 15.1627 15.2398 15.2398 15.2740 15.2764 k = 0.0000 0.0000 0.5118 ( 1310 PWs) bands (ev): -43.8046 -43.8046 -20.5698 -20.5698 -19.9410 -19.9410 -19.7441 -19.7441 -0.8379 -0.8379 5.5680 5.5680 10.7586 10.7586 10.8105 10.8105 13.3619 13.3619 13.3924 13.3924 15.1662 15.1662 15.2371 15.2371 15.2724 15.2724 k = 0.0000 0.0000 0.5118 ( 1310 PWs) bands (ev): -43.8046 -43.8046 -20.5698 -20.5698 -19.9410 -19.9410 -19.7441 -19.7441 -0.8379 -0.8379 5.5680 5.5680 10.7586 10.7586 10.8105 10.8105 13.3619 13.3619 13.3924 13.3924 15.1662 15.1662 15.2371 15.2371 15.2724 15.2724 k = 0.0089 0.0052 0.5118 ( 1310 PWs) bands (ev): -43.8045 -43.8045 -20.5698 -20.5698 -19.9411 -19.9411 -19.7442 -19.7442 -0.8375 -0.8375 5.5692 5.5692 10.7561 10.7561 10.8079 10.8079 13.3616 13.3616 13.3922 13.3922 15.1670 15.1670 15.2378 15.2378 15.2733 15.2733 k = 0.0179 0.0103 0.5118 ( 1310 PWs) bands (ev): -43.8045 -43.8045 -20.5698 -20.5698 -19.9412 -19.9412 -19.7445 -19.7445 -0.8361 -0.8361 5.5727 5.5727 10.7482 10.7482 10.8003 10.8003 13.3599 13.3599 13.3924 13.3924 15.1692 15.1692 15.2389 15.2389 15.2769 15.2769 k = 0.0268 0.0155 0.5118 ( 1310 PWs) bands (ev): -43.8044 -43.8044 -20.5699 -20.5699 -19.9414 -19.9414 -19.7449 -19.7449 -0.8338 -0.8338 5.5786 5.5786 10.7349 10.7349 10.7880 10.7880 13.3552 13.3552 13.3947 13.3947 15.1729 15.1729 15.2381 15.2381 15.2856 15.2856 k = 0.0357 0.0206 0.5118 ( 1308 PWs) bands (ev): -43.8043 -43.8043 -20.5699 -20.5699 -19.9416 -19.9416 -19.7455 -19.7455 -0.8305 -0.8305 5.5868 5.5868 10.7156 10.7156 10.7715 10.7715 13.3463 13.3463 13.4004 13.4004 15.1779 15.1779 15.2343 15.2343 15.3006 15.3006 k = 0.0446 0.0258 0.5118 ( 1308 PWs) bands (ev): -43.8042 -43.8042 -20.5700 -20.5700 -19.9419 -19.9419 -19.7463 -19.7463 -0.8264 -0.8264 5.5973 5.5973 10.6900 10.6900 10.7516 10.7516 13.3334 13.3334 13.4093 13.4093 15.1840 15.1840 15.2281 15.2281 15.3217 15.3217 k = 0.0536 0.0309 0.5118 ( 1304 PWs) bands (ev): -43.8040 -43.8040 -20.5700 -20.5700 -19.9423 -19.9423 -19.7472 -19.7472 -0.8213 -0.8213 5.6100 5.6100 10.6579 10.6579 10.7288 10.7288 13.3171 13.3171 13.4211 13.4211 15.1909 15.1909 15.2206 15.2206 15.3482 15.3482 k = 0.0625 0.0361 0.5118 ( 1300 PWs) bands (ev): -43.8038 -43.8038 -20.5701 -20.5701 -19.9427 -19.9427 -19.7482 -19.7482 -0.8154 -0.8154 5.6251 5.6251 10.6192 10.6192 10.7033 10.7033 13.2979 13.2979 13.4355 13.4355 15.1965 15.1965 15.2143 15.2143 15.3795 15.3795 k = 0.0714 0.0412 0.5118 ( 1304 PWs) bands (ev): -43.8036 -43.8036 -20.5702 -20.5702 -19.9433 -19.9433 -19.7496 -19.7496 -0.8085 -0.8085 5.6423 5.6423 10.5743 10.5743 10.6755 10.6755 13.2761 13.2761 13.4524 13.4524 15.1941 15.1941 15.2164 15.2164 15.4152 15.4152 k = 0.0804 0.0464 0.5118 ( 1304 PWs) bands (ev): -43.8034 -43.8034 -20.5704 -20.5704 -19.9439 -19.9439 -19.7510 -19.7510 -0.8008 -0.8008 5.6617 5.6617 10.5234 10.5234 10.6452 10.6452 13.2519 13.2519 13.4716 13.4716 15.1855 15.1855 15.2253 15.2253 15.4550 15.4550 k = 0.0893 0.0515 0.5118 ( 1300 PWs) bands (ev): -43.8031 -43.8031 -20.5705 -20.5705 -19.9445 -19.9445 -19.7525 -19.7525 -0.7922 -0.7922 5.6832 5.6832 10.4670 10.4670 10.6128 10.6128 13.2258 13.2258 13.4932 13.4932 15.1758 15.1758 15.2365 15.2365 15.4986 15.4986 k = 0.0982 0.0567 0.5118 ( 1300 PWs) bands (ev): -43.8028 -43.8028 -20.5707 -20.5707 -19.9453 -19.9453 -19.7542 -19.7542 -0.7827 -0.7827 5.7067 5.7067 10.4053 10.4053 10.5783 10.5783 13.1979 13.1979 13.5169 13.5169 15.1662 15.1662 15.2486 15.2486 15.5457 15.5457 k = 0.1071 0.0619 0.5118 ( 1300 PWs) bands (ev): -43.8025 -43.8025 -20.5709 -20.5709 -19.9461 -19.9461 -19.7560 -19.7560 -0.7724 -0.7724 5.7323 5.7323 10.3389 10.3389 10.5419 10.5419 13.1687 13.1687 13.5429 13.5429 15.1572 15.1572 15.2616 15.2616 15.5960 15.5960 k = 0.1161 0.0670 0.5118 ( 1300 PWs) bands (ev): -43.8021 -43.8021 -20.5711 -20.5711 -19.9469 -19.9469 -19.7580 -19.7580 -0.7613 -0.7613 5.7598 5.7598 10.2679 10.2679 10.5038 10.5038 13.1382 13.1382 13.5709 13.5709 15.1493 15.1493 15.2751 15.2751 15.6491 15.6491 k = 0.1250 0.0722 0.5118 ( 1304 PWs) bands (ev): -43.8018 -43.8018 -20.5714 -20.5714 -19.9479 -19.9479 -19.7601 -19.7601 -0.7493 -0.7493 5.7891 5.7891 10.1929 10.1929 10.4642 10.4642 13.1069 13.1069 13.6011 13.6011 15.1426 15.1426 15.2891 15.2891 15.7047 15.7047 k = 0.1339 0.0773 0.5118 ( 1300 PWs) bands (ev): -43.8014 -43.8014 -20.5716 -20.5716 -19.9488 -19.9488 -19.7622 -19.7622 -0.7366 -0.7366 5.8202 5.8202 10.1141 10.1141 10.4233 10.4233 13.0750 13.0750 13.6334 13.6334 15.1374 15.1374 15.3035 15.3035 15.7626 15.7626 k = 0.1429 0.0825 0.5118 ( 1300 PWs) bands (ev): -43.8010 -43.8010 -20.5719 -20.5719 -19.9499 -19.9499 -19.7645 -19.7645 -0.7231 -0.7231 5.8530 5.8530 10.0320 10.0320 10.3813 10.3813 13.0427 13.0427 13.6676 13.6676 15.1337 15.1337 15.3181 15.3181 15.8225 15.8225 k = 0.1518 0.0876 0.5118 ( 1300 PWs) bands (ev): -43.8005 -43.8005 -20.5722 -20.5722 -19.9510 -19.9510 -19.7668 -19.7668 -0.7089 -0.7089 5.8874 5.8874 9.9469 9.9469 10.3384 10.3384 13.0102 13.0102 13.7038 13.7038 15.1318 15.1318 15.3330 15.3330 15.8840 15.8840 k = 0.1607 0.0928 0.5118 ( 1298 PWs) bands (ev): -43.8001 -43.8001 -20.5725 -20.5725 -19.9521 -19.9521 -19.7692 -19.7692 -0.6939 -0.6939 5.9233 5.9233 9.8591 9.8591 10.2948 10.2948 12.9780 12.9780 13.7420 13.7420 15.1317 15.1317 15.3479 15.3479 15.9469 15.9469 k = 0.1696 0.0979 0.5118 ( 1294 PWs) bands (ev): -43.7996 -43.7996 -20.5728 -20.5728 -19.9532 -19.9532 -19.7717 -19.7717 -0.6783 -0.6783 5.9606 5.9606 9.7690 9.7690 10.2507 10.2507 12.9460 12.9460 13.7819 13.7819 15.1334 15.1334 15.3630 15.3630 16.0109 16.0109 k = 0.1786 0.1031 0.5118 ( 1294 PWs) bands (ev): -43.7992 -43.7992 -20.5732 -20.5732 -19.9544 -19.9544 -19.7742 -19.7742 -0.6620 -0.6620 5.9992 5.9992 9.6770 9.6770 10.2062 10.2062 12.9147 12.9147 13.8237 13.8237 15.1370 15.1370 15.3781 15.3781 16.0757 16.0757 k = 0.1875 0.1083 0.5118 ( 1290 PWs) bands (ev): -43.7987 -43.7987 -20.5736 -20.5736 -19.9557 -19.9557 -19.7768 -19.7768 -0.6452 -0.6452 6.0389 6.0389 9.5835 9.5835 10.1615 10.1615 12.8842 12.8842 13.8671 13.8671 15.1425 15.1425 15.3931 15.3931 16.1411 16.1411 k = 0.1964 0.1134 0.5118 ( 1286 PWs) bands (ev): -43.7982 -43.7982 -20.5740 -20.5740 -19.9569 -19.9569 -19.7793 -19.7793 -0.6277 -0.6277 6.0797 6.0797 9.4886 9.4886 10.1167 10.1167 12.8548 12.8548 13.9123 13.9123 15.1499 15.1499 15.4081 15.4081 16.2069 16.2069 k = 0.2054 0.1186 0.5118 ( 1282 PWs) bands (ev): -43.7976 -43.7976 -20.5744 -20.5744 -19.9582 -19.9582 -19.7819 -19.7819 -0.6097 -0.6097 6.1213 6.1213 9.3929 9.3929 10.0721 10.0721 12.8266 12.8266 13.9589 13.9589 15.1591 15.1591 15.4229 15.4229 16.2728 16.2728 k = 0.2143 0.1237 0.5118 ( 1284 PWs) bands (ev): -43.7971 -43.7971 -20.5749 -20.5749 -19.9596 -19.9596 -19.7846 -19.7846 -0.5911 -0.5911 6.1638 6.1638 9.2965 9.2965 10.0277 10.0277 12.7997 12.7997 14.0071 14.0071 15.1701 15.1701 15.4376 15.4376 16.3386 16.3386 k = 0.2232 0.1289 0.5118 ( 1278 PWs) bands (ev): -43.7966 -43.7966 -20.5754 -20.5754 -19.9610 -19.9610 -19.7872 -19.7872 -0.5721 -0.5721 6.2069 6.2069 9.1998 9.1998 9.9837 9.9837 12.7745 12.7745 14.0567 14.0567 15.1829 15.1829 15.4521 15.4521 16.4041 16.4041 k = 0.2321 0.1340 0.5118 ( 1282 PWs) bands (ev): -43.7961 -43.7961 -20.5759 -20.5759 -19.9624 -19.9624 -19.7898 -19.7898 -0.5528 -0.5528 6.2505 6.2505 9.1032 9.1032 9.9402 9.9402 12.7510 12.7510 14.1075 14.1075 15.1974 15.1974 15.4664 15.4664 16.4691 16.4691 k = 0.2411 0.1392 0.5118 ( 1288 PWs) bands (ev): -43.7956 -43.7956 -20.5766 -20.5766 -19.9640 -19.9640 -19.7925 -19.7925 -0.5330 -0.5330 6.2945 6.2945 9.0068 9.0068 9.8973 9.8973 12.7295 12.7295 14.1596 14.1596 15.2135 15.2135 15.4804 15.4804 16.5333 16.5333 k = 0.2500 0.1443 0.5118 ( 1288 PWs) bands (ev): -43.7950 -43.7950 -20.5772 -20.5772 -19.9654 -19.9654 -19.7951 -19.7951 -0.5129 -0.5129 6.3386 6.3386 8.9109 8.9109 9.8551 9.8551 12.7100 12.7100 14.2127 14.2127 15.2311 15.2311 15.4941 15.4941 16.5967 16.5967 k = 0.2589 0.1495 0.5118 ( 1284 PWs) bands (ev): -43.7945 -43.7945 -20.5777 -20.5777 -19.9668 -19.9668 -19.7977 -19.7977 -0.4926 -0.4926 6.3828 6.3828 8.8159 8.8159 9.8137 9.8137 12.6926 12.6926 14.2668 14.2668 15.2503 15.2503 15.5075 15.5075 16.6590 16.6590 k = 0.2679 0.1546 0.5118 ( 1284 PWs) bands (ev): -43.7940 -43.7940 -20.5783 -20.5783 -19.9683 -19.9683 -19.8002 -19.8002 -0.4721 -0.4721 6.4270 6.4270 8.7219 8.7219 9.7731 9.7731 12.6776 12.6776 14.3218 14.3218 15.2707 15.2707 15.5205 15.5205 16.7200 16.7200 k = 0.2768 0.1598 0.5118 ( 1284 PWs) bands (ev): -43.7934 -43.7934 -20.5790 -20.5790 -19.9698 -19.9698 -19.8026 -19.8026 -0.4514 -0.4514 6.4708 6.4708 8.6293 8.6293 9.7336 9.7336 12.6649 12.6649 14.3774 14.3774 15.2925 15.2925 15.5331 15.5331 16.7797 16.7797 k = 0.2857 0.1650 0.5118 ( 1284 PWs) bands (ev): -43.7929 -43.7929 -20.5796 -20.5796 -19.9712 -19.9712 -19.8050 -19.8050 -0.4307 -0.4307 6.5143 6.5143 8.5383 8.5383 9.6951 9.6951 12.6547 12.6547 14.4337 14.4337 15.3154 15.3154 15.5454 15.5454 16.8379 16.8379 k = 0.2946 0.1701 0.5118 ( 1286 PWs) bands (ev): -43.7924 -43.7924 -20.5803 -20.5803 -19.9727 -19.9727 -19.8074 -19.8074 -0.4099 -0.4099 6.5572 6.5572 8.4490 8.4490 9.6577 9.6577 12.6469 12.6469 14.4903 14.4903 15.3393 15.3393 15.5572 15.5572 16.8945 16.8945 k = 0.3036 0.1753 0.5118 ( 1282 PWs) bands (ev): -43.7919 -43.7919 -20.5810 -20.5810 -19.9741 -19.9741 -19.8096 -19.8096 -0.3893 -0.3893 6.5994 6.5994 8.3617 8.3617 9.6216 9.6216 12.6416 12.6416 14.5472 14.5472 15.3642 15.3642 15.5685 15.5685 16.9493 16.9493 k = 0.3125 0.1804 0.5118 ( 1282 PWs) bands (ev): -43.7914 -43.7914 -20.5816 -20.5816 -19.9756 -19.9756 -19.8118 -19.8118 -0.3687 -0.3687 6.6407 6.6407 8.2766 8.2766 9.5866 9.5866 12.6389 12.6389 14.6041 14.6041 15.3899 15.3899 15.5793 15.5793 17.0022 17.0022 k = 0.3214 0.1856 0.5118 ( 1282 PWs) bands (ev): -43.7909 -43.7909 -20.5823 -20.5823 -19.9770 -19.9770 -19.8139 -19.8139 -0.3484 -0.3484 6.6810 6.6810 8.1940 8.1940 9.5530 9.5530 12.6387 12.6387 14.6609 14.6609 15.4162 15.4162 15.5896 15.5896 17.0532 17.0532 k = 0.3304 0.1907 0.5118 ( 1282 PWs) bands (ev): -43.7904 -43.7904 -20.5830 -20.5830 -19.9783 -19.9783 -19.8160 -19.8160 -0.3283 -0.3283 6.7202 6.7202 8.1140 8.1140 9.5207 9.5207 12.6408 12.6408 14.7174 14.7174 15.4430 15.4430 15.5994 15.5994 17.1021 17.1021 k = 0.3393 0.1959 0.5118 ( 1280 PWs) bands (ev): -43.7900 -43.7900 -20.5836 -20.5836 -19.9796 -19.9796 -19.8179 -19.8179 -0.3086 -0.3086 6.7581 6.7581 8.0369 8.0369 9.4898 9.4898 12.6454 12.6454 14.7733 14.7733 15.4701 15.4701 15.6087 15.6087 17.1489 17.1489 k = 0.3482 0.2010 0.5118 ( 1280 PWs) bands (ev): -43.7895 -43.7895 -20.5843 -20.5843 -19.9809 -19.9809 -19.8198 -19.8198 -0.2894 -0.2894 6.7946 6.7946 7.9627 7.9627 9.4604 9.4604 12.6522 12.6522 14.8284 14.8284 15.4974 15.4974 15.6174 15.6174 17.1935 17.1935 k = 0.3571 0.2062 0.5118 ( 1284 PWs) bands (ev): -43.7891 -43.7891 -20.5850 -20.5850 -19.9822 -19.9822 -19.8216 -19.8216 -0.2707 -0.2707 6.8295 6.8295 7.8917 7.8917 9.4324 9.4324 12.6610 12.6610 14.8826 14.8826 15.5245 15.5245 15.6257 15.6257 17.2358 17.2358 k = 0.3661 0.2114 0.5118 ( 1280 PWs) bands (ev): -43.7887 -43.7887 -20.5856 -20.5856 -19.9834 -19.9834 -19.8232 -19.8232 -0.2526 -0.2526 6.8629 6.8629 7.8241 7.8241 9.4060 9.4060 12.6718 12.6718 14.9355 14.9355 15.5513 15.5513 15.6336 15.6336 17.2757 17.2757 k = 0.3750 0.2165 0.5118 ( 1276 PWs) bands (ev): -43.7883 -43.7883 -20.5862 -20.5862 -19.9845 -19.9845 -19.8247 -19.8247 -0.2351 -0.2351 6.8945 6.8945 7.7600 7.7600 9.3812 9.3812 12.6843 12.6843 14.9869 14.9869 15.5772 15.5772 15.6413 15.6413 17.3133 17.3133 k = 0.3839 0.2217 0.5118 ( 1272 PWs) bands (ev): -43.7879 -43.7879 -20.5867 -20.5867 -19.9855 -19.9855 -19.8262 -19.8262 -0.2185 -0.2185 6.9242 6.9242 7.6995 7.6995 9.3579 9.3579 12.6981 12.6981 15.0365 15.0365 15.6014 15.6014 15.6495 15.6495 17.3484 17.3484 k = 0.3929 0.2268 0.5118 ( 1272 PWs) bands (ev): -43.7876 -43.7876 -20.5873 -20.5873 -19.9865 -19.9865 -19.8275 -19.8275 -0.2027 -0.2027 6.9521 6.9521 7.6429 7.6429 9.3362 9.3362 12.7132 12.7132 15.0840 15.0840 15.6223 15.6223 15.6597 15.6597 17.3810 17.3810 k = 0.4018 0.2320 0.5118 ( 1276 PWs) bands (ev): -43.7872 -43.7872 -20.5878 -20.5878 -19.9875 -19.9875 -19.8288 -19.8288 -0.1878 -0.1878 6.9779 6.9779 7.5903 7.5903 9.3162 9.3162 12.7290 12.7290 15.1292 15.1292 15.6373 15.6373 15.6741 15.6741 17.4112 17.4112 k = 0.4107 0.2371 0.5118 ( 1280 PWs) bands (ev): -43.7870 -43.7870 -20.5884 -20.5884 -19.9885 -19.9885 -19.8300 -19.8300 -0.1739 -0.1739 7.0017 7.0017 7.5418 7.5418 9.2978 9.2978 12.7453 12.7453 15.1717 15.1717 15.6463 15.6463 15.6926 15.6926 17.4387 17.4387 k = 0.4196 0.2423 0.5118 ( 1284 PWs) bands (ev): -43.7867 -43.7867 -20.5889 -20.5889 -19.9893 -19.9893 -19.8311 -19.8311 -0.1611 -0.1611 7.0233 7.0233 7.4975 7.4975 9.2812 9.2812 12.7617 12.7617 15.2112 15.2112 15.6520 15.6520 15.7126 15.7126 17.4638 17.4638 k = 0.4286 0.2474 0.5118 ( 1284 PWs) bands (ev): -43.7864 -43.7864 -20.5893 -20.5893 -19.9900 -19.9900 -19.8321 -19.8321 -0.1494 -0.1494 7.0428 7.0428 7.4575 7.4575 9.2662 9.2662 12.7778 12.7778 15.2476 15.2476 15.6558 15.6558 15.7321 15.7321 17.4862 17.4862 k = 0.4375 0.2526 0.5118 ( 1280 PWs) bands (ev): -43.7862 -43.7862 -20.5896 -20.5896 -19.9906 -19.9906 -19.8329 -19.8329 -0.1390 -0.1390 7.0601 7.0601 7.4220 7.4220 9.2530 9.2530 12.7933 12.7933 15.2804 15.2804 15.6586 15.6586 15.7504 15.7504 17.5060 17.5060 k = 0.4464 0.2577 0.5118 ( 1280 PWs) bands (ev): -43.7860 -43.7860 -20.5900 -20.5900 -19.9912 -19.9912 -19.8336 -19.8336 -0.1298 -0.1298 7.0751 7.0751 7.3910 7.3910 9.2415 9.2415 12.8077 12.8077 15.3095 15.3095 15.6606 15.6606 15.7670 15.7670 17.5232 17.5232 k = 0.4554 0.2629 0.5118 ( 1280 PWs) bands (ev): -43.7859 -43.7859 -20.5903 -20.5903 -19.9917 -19.9917 -19.8342 -19.8342 -0.1219 -0.1219 7.0879 7.0879 7.3647 7.3647 9.2317 9.2317 12.8206 12.8206 15.3345 15.3345 15.6620 15.6620 15.7815 15.7815 17.5378 17.5378 k = 0.4643 0.2681 0.5118 ( 1284 PWs) bands (ev): -43.7857 -43.7857 -20.5906 -20.5906 -19.9922 -19.9922 -19.8347 -19.8347 -0.1154 -0.1154 7.0983 7.0983 7.3430 7.3430 9.2238 9.2238 12.8317 12.8317 15.3554 15.3554 15.6630 15.6630 15.7936 15.7936 17.5497 17.5497 k = 0.4732 0.2732 0.5118 ( 1284 PWs) bands (ev): -43.7856 -43.7856 -20.5908 -20.5908 -19.9925 -19.9925 -19.8350 -19.8350 -0.1103 -0.1103 7.1065 7.1065 7.3262 7.3262 9.2175 9.2175 12.8407 12.8407 15.3718 15.3718 15.6637 15.6637 15.8033 15.8033 17.5590 17.5590 k = 0.4821 0.2784 0.5118 ( 1284 PWs) bands (ev): -43.7856 -43.7856 -20.5909 -20.5909 -19.9927 -19.9927 -19.8353 -19.8353 -0.1067 -0.1067 7.1123 7.1123 7.3141 7.3141 9.2131 9.2131 12.8473 12.8473 15.3836 15.3836 15.6641 15.6641 15.8103 15.8103 17.5657 17.5657 k = 0.4911 0.2835 0.5118 ( 1280 PWs) bands (ev): -43.7855 -43.7855 -20.5910 -20.5910 -19.9928 -19.9928 -19.8354 -19.8354 -0.1045 -0.1045 7.1158 7.1158 7.3068 7.3068 9.2104 9.2104 12.8514 12.8514 15.3907 15.3907 15.6643 15.6643 15.8145 15.8145 17.5697 17.5697 k = 0.5000 0.2887 0.5118 ( 1276 PWs) bands (ev): -43.7855 -43.7855 -20.5909 -20.5909 -19.9928 -19.9928 -19.8354 -19.8354 -0.1037 -0.1037 7.1170 7.1170 7.3044 7.3044 9.2095 9.2095 12.8528 12.8528 15.3931 15.3931 15.6644 15.6644 15.8159 15.8159 17.5710 17.5710 k = 0.5000 0.2887 0.5118 ( 1276 PWs) bands (ev): -43.7855 -43.7855 -20.5909 -20.5909 -19.9928 -19.9928 -19.8354 -19.8354 -0.1037 -0.1037 7.1170 7.1170 7.3044 7.3044 9.2095 9.2095 12.8528 12.8528 15.3931 15.3931 15.6644 15.6644 15.8159 15.8159 17.5710 17.5710 k = 0.4948 0.2977 0.5118 ( 1280 PWs) bands (ev): -43.7855 -43.7855 -20.5912 -20.5908 -19.9930 -19.9927 -19.8360 -19.8352 -0.1035 -0.1034 7.1169 7.1178 7.3034 7.3047 9.2070 9.2092 12.8534 12.8535 15.3944 15.3952 15.6638 15.6648 15.8149 15.8159 17.5710 17.5715 k = 0.4896 0.3067 0.5118 ( 1276 PWs) bands (ev): -43.7855 -43.7855 -20.5914 -20.5905 -19.9930 -19.9924 -19.8365 -19.8349 -0.1026 -0.1026 7.1175 7.1194 7.3017 7.3043 9.2017 9.2062 12.8555 12.8556 15.3991 15.4005 15.6630 15.6649 15.8127 15.8146 17.5714 17.5725 k = 0.4844 0.3157 0.5118 ( 1276 PWs) bands (ev): -43.7854 -43.7854 -20.5916 -20.5903 -19.9930 -19.9921 -19.8373 -19.8349 -0.1012 -0.1012 7.1189 7.1217 7.2993 7.3033 9.1936 9.2003 12.8590 12.8591 15.4070 15.4090 15.6619 15.6648 15.8094 15.8123 17.5724 17.5739 k = 0.4792 0.3248 0.5118 ( 1278 PWs) bands (ev): -43.7854 -43.7854 -20.5918 -20.5901 -19.9930 -19.9918 -19.8383 -19.8350 -0.0993 -0.0992 7.1210 7.1247 7.2962 7.3015 9.1829 9.1918 12.8638 12.8639 15.4182 15.4208 15.6606 15.6646 15.8052 15.8090 17.5737 17.5757 k = 0.4740 0.3338 0.5118 ( 1278 PWs) bands (ev): -43.7854 -43.7854 -20.5921 -20.5899 -19.9929 -19.9914 -19.8393 -19.8353 -0.0968 -0.0967 7.1238 7.1283 7.2924 7.2990 9.1697 9.1808 12.8701 12.8703 15.4326 15.4356 15.6592 15.6643 15.8002 15.8049 17.5753 17.5777 k = 0.4688 0.3428 0.5118 ( 1278 PWs) bands (ev): -43.7853 -43.7853 -20.5923 -20.5897 -19.9928 -19.9909 -19.8405 -19.8357 -0.0938 -0.0937 7.1273 7.1326 7.2880 7.2959 9.1541 9.1675 12.8778 12.8780 15.4500 15.4532 15.6576 15.6642 15.7946 15.8000 17.5771 17.5800 k = 0.4635 0.3518 0.5118 ( 1278 PWs) bands (ev): -43.7852 -43.7852 -20.5925 -20.5894 -19.9926 -19.9904 -19.8418 -19.8362 -0.0902 -0.0901 7.1314 7.1375 7.2829 7.2920 9.1364 9.1519 12.8869 12.8871 15.4701 15.4734 15.6561 15.6644 15.7885 15.7946 17.5790 17.5823 k = 0.4583 0.3608 0.5118 ( 1282 PWs) bands (ev): -43.7852 -43.7852 -20.5928 -20.5893 -19.9923 -19.9899 -19.8433 -19.8369 -0.0863 -0.0861 7.1361 7.1430 7.2771 7.2874 9.1168 9.1344 12.8974 12.8977 15.4928 15.4956 15.6550 15.6653 15.7820 15.7888 17.5809 17.5845 k = 0.4531 0.3699 0.5118 ( 1286 PWs) bands (ev): -43.7851 -43.7851 -20.5930 -20.5891 -19.9921 -19.9893 -19.8449 -19.8377 -0.0818 -0.0817 7.1414 7.1489 7.2707 7.2821 9.0954 9.1151 12.9093 12.9097 15.5171 15.5189 15.6548 15.6679 15.7755 15.7828 17.5828 17.5867 k = 0.4479 0.3789 0.5118 ( 1278 PWs) bands (ev): -43.7850 -43.7850 -20.5931 -20.5888 -19.9917 -19.9885 -19.8465 -19.8385 -0.0770 -0.0768 7.1472 7.1552 7.2637 7.2761 9.0727 9.0944 12.9227 12.9231 15.5417 15.5419 15.6569 15.6736 15.7691 15.7768 17.5846 17.5888 k = 0.4427 0.3879 0.5118 ( 1276 PWs) bands (ev): -43.7849 -43.7849 -20.5933 -20.5887 -19.9913 -19.9878 -19.8482 -19.8394 -0.0718 -0.0716 7.1534 7.1618 7.2562 7.2694 9.0487 9.0724 12.9375 12.9379 15.5617 15.5644 15.6636 15.6846 15.7629 15.7709 17.5862 17.5906 k = 0.4375 0.3969 0.5118 ( 1284 PWs) bands (ev): -43.7848 -43.7848 -20.5936 -20.5886 -19.9910 -19.9872 -19.8500 -19.8405 -0.0662 -0.0660 7.1601 7.1685 7.2483 7.2620 9.0238 9.0494 12.9536 12.9541 15.5761 15.5807 15.6786 15.7035 15.7574 15.7653 17.5876 17.5922 k = 0.4323 0.4059 0.5118 ( 1288 PWs) bands (ev): -43.7847 -43.7847 -20.5939 -20.5885 -19.9906 -19.9865 -19.8520 -19.8417 -0.0603 -0.0601 7.1671 7.1751 7.2403 7.2540 8.9984 9.0258 12.9711 12.9717 15.5841 15.5888 15.7029 15.7307 15.7535 15.7606 17.5887 17.5935 k = 0.4271 0.4150 0.5118 ( 1284 PWs) bands (ev): -43.7846 -43.7846 -20.5940 -20.5883 -19.9902 -19.9856 -19.8538 -19.8428 -0.0542 -0.0540 7.1744 7.1810 7.2325 7.2453 8.9726 9.0018 12.9898 12.9905 15.5869 15.5904 15.7279 15.7518 15.7580 15.7699 17.5896 17.5945 k = 0.4219 0.4240 0.5118 ( 1284 PWs) bands (ev): -43.7845 -43.7845 -20.5942 -20.5881 -19.9897 -19.9848 -19.8558 -19.8440 -0.0479 -0.0477 7.1819 7.1851 7.2262 7.2360 8.9467 8.9777 13.0098 13.0105 15.5860 15.5883 15.7337 15.7492 15.7883 15.8091 17.5902 17.5953 k = 0.4167 0.4330 0.5118 ( 1284 PWs) bands (ev): -43.7844 -43.7844 -20.5944 -20.5880 -19.9892 -19.9840 -19.8578 -19.8453 -0.0414 -0.0412 7.1854 7.1896 7.2233 7.2262 8.9210 8.9536 13.0308 13.0317 15.5827 15.5840 15.7314 15.7456 15.8314 15.8542 17.5906 17.5958 k = 0.4115 0.4420 0.5118 ( 1284 PWs) bands (ev): -43.7843 -43.7843 -20.5946 -20.5879 -19.9888 -19.9832 -19.8598 -19.8466 -0.0349 -0.0346 7.1807 7.1973 7.2159 7.2250 8.8958 8.9300 13.0529 13.0539 15.5778 15.5783 15.7284 15.7424 15.8791 15.9030 17.5907 17.5961 k = 0.4062 0.4511 0.5118 ( 1284 PWs) bands (ev): -43.7842 -43.7842 -20.5948 -20.5878 -19.9883 -19.9824 -19.8618 -19.8479 -0.0283 -0.0280 7.1724 7.2048 7.2054 7.2299 8.8713 8.9069 13.0757 13.0769 15.5715 15.5717 15.7255 15.7398 15.9300 15.9548 17.5907 17.5962 k = 0.4010 0.4601 0.5118 ( 1284 PWs) bands (ev): -43.7840 -43.7840 -20.5950 -20.5877 -19.9879 -19.9816 -19.8637 -19.8491 -0.0217 -0.0215 7.1623 7.1942 7.2128 7.2363 8.8477 8.8847 13.0993 13.1006 15.5640 15.5647 15.7231 15.7377 15.9835 16.0091 17.5904 17.5960 k = 0.3958 0.4691 0.5118 ( 1284 PWs) bands (ev): -43.7839 -43.7839 -20.5952 -20.5876 -19.9874 -19.9808 -19.8656 -19.8504 -0.0153 -0.0150 7.1512 7.1829 7.2204 7.2434 8.8253 8.8635 13.1232 13.1247 15.5559 15.5569 15.7213 15.7362 16.0390 16.0655 17.5899 17.5957 k = 0.3906 0.4781 0.5118 ( 1284 PWs) bands (ev): -43.7838 -43.7838 -20.5954 -20.5875 -19.9870 -19.9800 -19.8674 -19.8516 -0.0089 -0.0086 7.1398 7.1716 7.2277 7.2506 8.8041 8.8434 13.1474 13.1491 15.5473 15.5486 15.7199 15.7353 16.0963 16.1237 17.5894 17.5952 k = 0.3854 0.4871 0.5118 ( 1284 PWs) bands (ev): -43.7837 -43.7837 -20.5955 -20.5875 -19.9866 -19.9793 -19.8691 -19.8528 -0.0028 -0.0025 7.1282 7.1603 7.2348 7.2577 8.7844 8.8248 13.1715 13.1733 15.5384 15.5400 15.7190 15.7349 16.1549 16.1833 17.5887 17.5946 k = 0.3802 0.4962 0.5118 ( 1284 PWs) bands (ev): -43.7836 -43.7836 -20.5957 -20.5874 -19.9862 -19.9786 -19.8708 -19.8539 0.0030 0.0033 7.1168 7.1492 7.2416 7.2645 8.7663 8.8076 13.1952 13.1972 15.5294 15.5311 15.7186 15.7349 16.2144 16.2438 17.5879 17.5939 k = 0.3750 0.5052 0.5118 ( 1284 PWs) bands (ev): -43.7835 -43.7835 -20.5958 -20.5874 -19.9859 -19.9780 -19.8723 -19.8549 0.0085 0.0088 7.1057 7.1385 7.2479 7.2710 8.7499 8.7919 13.2182 13.2204 15.5203 15.5222 15.7187 15.7353 16.2742 16.3047 17.5871 17.5932 k = 0.3698 0.5142 0.5118 ( 1284 PWs) bands (ev): -43.7834 -43.7834 -20.5960 -20.5874 -19.9856 -19.9774 -19.8737 -19.8558 0.0136 0.0139 7.0952 7.1283 7.2537 7.2770 8.7353 8.7780 13.2400 13.2424 15.5115 15.5135 15.7190 15.7360 16.3335 16.3652 17.5863 17.5925 k = 0.3646 0.5232 0.5118 ( 1284 PWs) bands (ev): -43.7834 -43.7834 -20.5961 -20.5873 -19.9853 -19.9769 -19.8749 -19.8567 0.0182 0.0185 7.0855 7.1188 7.2590 7.2824 8.7225 8.7658 13.2602 13.2628 15.5031 15.5052 15.7197 15.7370 16.3916 16.4245 17.5855 17.5917 k = 0.3594 0.5322 0.5118 ( 1288 PWs) bands (ev): -43.7833 -43.7833 -20.5962 -20.5874 -19.9851 -19.9765 -19.8761 -19.8575 0.0223 0.0226 7.0767 7.1102 7.2637 7.2872 8.7117 8.7555 13.2785 13.2812 15.4954 15.4976 15.7205 15.7381 16.4471 16.4812 17.5847 17.5911 k = 0.3542 0.5413 0.5118 ( 1288 PWs) bands (ev): -43.7832 -43.7832 -20.5963 -20.5874 -19.9849 -19.9761 -19.8770 -19.8581 0.0257 0.0260 7.0690 7.1027 7.2676 7.2913 8.7028 8.7470 13.2943 13.2972 15.4885 15.4908 15.7214 15.7392 16.4983 16.5337 17.5841 17.5904 k = 0.3490 0.5503 0.5118 ( 1288 PWs) bands (ev): -43.7832 -43.7832 -20.5964 -20.5874 -19.9848 -19.9758 -19.8777 -19.8586 0.0285 0.0288 7.0627 7.0966 7.2708 7.2946 8.6959 8.7403 13.3073 13.3103 15.4828 15.4852 15.7222 15.7403 16.5430 16.5796 17.5836 17.5897 k = 0.3438 0.5593 0.5118 ( 1284 PWs) bands (ev): -43.7831 -43.7831 -20.5964 -20.5873 -19.9846 -19.9756 -19.8781 -19.8589 0.0306 0.0309 7.0580 7.0920 7.2732 7.2970 8.6910 8.7356 13.3169 13.3201 15.4785 15.4810 15.7230 15.7412 16.5785 16.6162 17.5832 17.5856 k = 0.3385 0.5683 0.5118 ( 1284 PWs) bands (ev): -43.7831 -43.7831 -20.5964 -20.5873 -19.9846 -19.9755 -19.8784 -19.8591 0.0318 0.0322 7.0551 7.0891 7.2747 7.2985 8.6880 8.7328 13.3230 13.3262 15.4759 15.4783 15.7235 15.7418 16.6017 16.6402 17.5732 17.5830 k = 0.3333 0.5774 0.5118 ( 1296 PWs) bands (ev): -43.7831 -43.7831 -20.5966 -20.5874 -19.9847 -19.9756 -19.8786 -19.8593 0.0323 0.0326 7.0540 7.0880 7.2752 7.2990 8.6870 8.7318 13.3250 13.3283 15.4749 15.4774 15.7237 15.7420 16.6099 16.6487 17.5677 17.5830 k = 0.3333 0.5774 0.5118 ( 1296 PWs) bands (ev): -43.7831 -43.7831 -20.5966 -20.5874 -19.9847 -19.9756 -19.8786 -19.8593 0.0323 0.0326 7.0540 7.0880 7.2752 7.2990 8.6870 8.7318 13.3250 13.3283 15.4749 15.4774 15.7237 15.7420 16.6099 16.6487 17.5677 17.5830 k = 0.3281 0.5683 0.5118 ( 1288 PWs) bands (ev): -43.7831 -43.7831 -20.5965 -20.5874 -19.9846 -19.9755 -19.8785 -19.8591 0.0318 0.0321 7.0551 7.0891 7.2746 7.2985 8.6880 8.7328 13.3229 13.3261 15.4759 15.4784 15.7235 15.7417 16.6015 16.6400 17.5743 17.5831 k = 0.3229 0.5593 0.5118 ( 1290 PWs) bands (ev): -43.7832 -43.7832 -20.5965 -20.5874 -19.9847 -19.9756 -19.8782 -19.8589 0.0304 0.0308 7.0585 7.0925 7.2730 7.2968 8.6909 8.7356 13.3164 13.3196 15.4787 15.4812 15.7227 15.7409 16.5769 16.6145 17.5833 17.5892 k = 0.3177 0.5503 0.5118 ( 1294 PWs) bands (ev): -43.7832 -43.7832 -20.5964 -20.5874 -19.9848 -19.9758 -19.8777 -19.8586 0.0281 0.0284 7.0643 7.0982 7.2702 7.2940 8.6957 8.7402 13.3056 13.3087 15.4834 15.4858 15.7213 15.7393 16.5381 16.5745 17.5836 17.5901 k = 0.3125 0.5413 0.5118 ( 1294 PWs) bands (ev): -43.7833 -43.7833 -20.5963 -20.5874 -19.9849 -19.9761 -19.8770 -19.8581 0.0248 0.0251 7.0727 7.1066 7.2663 7.2900 8.7024 8.7467 13.2905 13.2934 15.4898 15.4922 15.7191 15.7369 16.4882 16.5229 17.5840 17.5904 k = 0.3073 0.5322 0.5118 ( 1294 PWs) bands (ev): -43.7833 -43.7833 -20.5962 -20.5873 -19.9850 -19.9763 -19.8761 -19.8575 0.0204 0.0207 7.0838 7.1177 7.2610 7.2847 8.7110 8.7550 13.2713 13.2740 15.4977 15.5001 15.7162 15.7337 16.4298 16.4630 17.5843 17.5907 k = 0.3021 0.5232 0.5118 ( 1298 PWs) bands (ev): -43.7834 -43.7834 -20.5961 -20.5873 -19.9851 -19.9766 -19.8751 -19.8567 0.0150 0.0153 7.0976 7.1316 7.2544 7.2781 8.7213 8.7651 13.2482 13.2507 15.5069 15.5092 15.7123 15.7295 16.3655 16.3971 17.5846 17.5909 k = 0.2969 0.5142 0.5118 ( 1294 PWs) bands (ev): -43.7835 -43.7835 -20.5959 -20.5872 -19.9852 -19.9769 -19.8738 -19.8558 0.0085 0.0089 7.1143 7.1486 7.2464 7.2703 8.7335 8.7770 13.2217 13.2240 15.5169 15.5194 15.7075 15.7242 16.2972 16.3272 17.5846 17.5908 k = 0.2917 0.5052 0.5118 ( 1294 PWs) bands (ev): -43.7837 -43.7837 -20.5956 -20.5871 -19.9853 -19.9771 -19.8725 -19.8548 0.0010 0.0013 7.1338 7.1685 7.2370 7.2613 8.7475 8.7906 13.1921 13.1942 15.5275 15.5301 15.7017 15.7178 16.2260 16.2547 17.5842 17.5904 k = 0.2865 0.4962 0.5118 ( 1290 PWs) bands (ev): -43.7838 -43.7838 -20.5953 -20.5870 -19.9853 -19.9774 -19.8709 -19.8536 -0.0076 -0.0073 7.1557 7.1917 7.2261 7.2515 8.7631 8.8059 13.1600 13.1619 15.5383 15.5411 15.6949 15.7103 16.1531 16.1803 17.5834 17.5894 k = 0.2812 0.4871 0.5118 ( 1294 PWs) bands (ev): -43.7840 -43.7840 -20.5950 -20.5869 -19.9854 -19.9777 -19.8693 -19.8524 -0.0172 -0.0169 7.1786 7.2136 7.2180 7.2422 8.7805 8.8229 13.1258 13.1275 15.5489 15.5521 15.6870 15.7016 16.0789 16.1049 17.5817 17.5877 k = 0.2760 0.4781 0.5118 ( 1298 PWs) bands (ev): -43.7842 -43.7842 -20.5948 -20.5868 -19.9854 -19.9779 -19.8675 -19.8511 -0.0279 -0.0276 7.1957 7.1995 7.2405 7.2477 8.7996 8.8415 13.0900 13.0915 15.5589 15.5628 15.6783 15.6917 16.0040 16.0288 17.5792 17.5850 k = 0.2708 0.4691 0.5118 ( 1298 PWs) bands (ev): -43.7844 -43.7844 -20.5944 -20.5866 -19.9854 -19.9781 -19.8656 -19.8496 -0.0396 -0.0393 7.1838 7.1935 7.2597 7.2806 8.8203 8.8619 13.0533 13.0546 15.5679 15.5729 15.6686 15.6805 15.9287 15.9525 17.5754 17.5811 k = 0.2656 0.4601 0.5118 ( 1298 PWs) bands (ev): -43.7847 -43.7847 -20.5940 -20.5864 -19.9853 -19.9783 -19.8636 -19.8480 -0.0523 -0.0520 7.1664 7.1796 7.2921 7.3169 8.8427 8.8838 13.0159 13.0171 15.5756 15.5822 15.6584 15.6681 15.8532 15.8760 17.5703 17.5758 k = 0.2604 0.4511 0.5118 ( 1298 PWs) bands (ev): -43.7849 -43.7849 -20.5935 -20.5862 -19.9852 -19.9784 -19.8614 -19.8464 -0.0660 -0.0657 7.1473 7.1616 7.3304 7.3565 8.8666 8.9073 12.9786 12.9796 15.5811 15.5904 15.6482 15.6544 15.7776 15.7997 17.5633 17.5688 k = 0.2552 0.4420 0.5118 ( 1298 PWs) bands (ev): -43.7852 -43.7852 -20.5930 -20.5859 -19.9850 -19.9784 -19.8592 -19.8446 -0.0806 -0.0803 7.1265 7.1411 7.3728 7.3994 8.8922 8.9324 12.9416 12.9426 15.5835 15.5975 15.6387 15.6392 15.7022 15.7239 17.5544 17.5598 k = 0.2500 0.4330 0.5118 ( 1290 PWs) bands (ev): -43.7855 -43.7855 -20.5924 -20.5856 -19.9847 -19.9783 -19.8569 -19.8428 -0.0960 -0.0958 7.1039 7.1184 7.4189 7.4457 8.9193 8.9591 12.9055 12.9064 15.5811 15.6027 15.6208 15.6266 15.6320 15.6511 17.5432 17.5484 k = 0.2448 0.4240 0.5118 ( 1290 PWs) bands (ev): -43.7858 -43.7858 -20.5918 -20.5853 -19.9844 -19.9782 -19.8545 -19.8409 -0.1124 -0.1121 7.0796 7.0938 7.4684 7.4953 8.9480 8.9872 12.8706 12.8714 15.5509 15.5661 15.5743 15.6090 15.6115 15.6277 17.5294 17.5346 k = 0.2396 0.4150 0.5118 ( 1290 PWs) bands (ev): -43.7862 -43.7862 -20.5912 -20.5849 -19.9840 -19.9780 -19.8520 -19.8389 -0.1295 -0.1292 7.0536 7.0673 7.5212 7.5481 8.9781 9.0169 12.8372 12.8381 15.4765 15.4926 15.5617 15.5917 15.6123 15.6259 17.5128 17.5179 k = 0.2344 0.4059 0.5118 ( 1290 PWs) bands (ev): -43.7865 -43.7865 -20.5906 -20.5846 -19.9835 -19.9778 -19.8495 -19.8369 -0.1473 -0.1471 7.0258 7.0391 7.5773 7.6041 9.0098 9.0481 12.8057 12.8066 15.4021 15.4179 15.5464 15.5726 15.6143 15.6250 17.4931 17.4981 k = 0.2292 0.3969 0.5118 ( 1290 PWs) bands (ev): -43.7869 -43.7869 -20.5900 -20.5842 -19.9830 -19.9775 -19.8469 -19.8348 -0.1659 -0.1656 6.9963 7.0091 7.6365 7.6632 9.0428 9.0807 12.7764 12.7773 15.3280 15.3433 15.5292 15.5530 15.6151 15.6240 17.4702 17.4751 k = 0.2240 0.3879 0.5118 ( 1290 PWs) bands (ev): -43.7873 -43.7873 -20.5893 -20.5838 -19.9824 -19.9771 -19.8442 -19.8326 -0.1850 -0.1848 6.9651 6.9773 7.6989 7.7254 9.0774 9.1147 12.7494 12.7505 15.2544 15.2691 15.5107 15.5328 15.6147 15.6223 17.4438 17.4486 k = 0.2188 0.3789 0.5118 ( 1294 PWs) bands (ev): -43.7877 -43.7877 -20.5886 -20.5834 -19.9818 -19.9767 -19.8415 -19.8304 -0.2048 -0.2045 6.9323 6.9440 7.7642 7.7906 9.1133 9.1501 12.7251 12.7262 15.1813 15.1954 15.4912 15.5121 15.6131 15.6197 17.4138 17.4186 k = 0.2135 0.3699 0.5118 ( 1294 PWs) bands (ev): -43.7882 -43.7882 -20.5879 -20.5829 -19.9811 -19.9761 -19.8387 -19.8282 -0.2250 -0.2248 6.8980 6.9090 7.8324 7.8586 9.1505 9.1869 12.7035 12.7048 15.1088 15.1223 15.4710 15.4908 15.6103 15.6162 17.3802 17.3849 k = 0.2083 0.3608 0.5118 ( 1294 PWs) bands (ev): -43.7886 -43.7886 -20.5872 -20.5825 -19.9802 -19.9755 -19.8359 -19.8259 -0.2456 -0.2454 6.8621 6.8726 7.9034 7.9294 9.1891 9.2250 12.6848 12.6862 15.0369 15.0498 15.4502 15.4692 15.6063 15.6118 17.3429 17.3476 k = 0.2031 0.3518 0.5118 ( 1298 PWs) bands (ev): -43.7891 -43.7891 -20.5864 -20.5820 -19.9794 -19.9749 -19.8331 -19.8235 -0.2667 -0.2665 6.8248 6.8347 7.9771 8.0029 9.2290 9.2643 12.6691 12.6707 14.9657 14.9781 15.4291 15.4473 15.6014 15.6064 17.3020 17.3068 k = 0.1979 0.3428 0.5118 ( 1294 PWs) bands (ev): -43.7896 -43.7896 -20.5857 -20.5815 -19.9784 -19.9741 -19.8301 -19.8210 -0.2880 -0.2878 6.7862 6.7955 8.0533 8.0789 9.2701 9.3050 12.6565 12.6582 14.8953 14.9072 15.4078 15.4252 15.5955 15.6001 17.2576 17.2624 k = 0.1927 0.3338 0.5118 ( 1290 PWs) bands (ev): -43.7900 -43.7900 -20.5848 -20.5809 -19.9774 -19.9732 -19.8271 -19.8186 -0.3096 -0.3094 6.7464 6.7550 8.1320 8.1574 9.3125 9.3468 12.6470 12.6489 14.8258 14.8371 15.3863 15.4032 15.5886 15.5929 17.2099 17.2146 k = 0.1875 0.3248 0.5118 ( 1290 PWs) bands (ev): -43.7905 -43.7905 -20.5841 -20.5804 -19.9763 -19.9724 -19.8242 -19.8161 -0.3314 -0.3312 6.7055 6.7135 8.2129 8.2381 9.3559 9.3898 12.6407 12.6426 14.7571 14.7679 15.3649 15.3812 15.5808 15.5849 17.1589 17.1637 k = 0.1823 0.3157 0.5118 ( 1284 PWs) bands (ev): -43.7911 -43.7911 -20.5832 -20.5799 -19.9751 -19.9714 -19.8211 -19.8135 -0.3533 -0.3531 6.6635 6.6710 8.2960 8.3210 9.4005 9.4338 12.6375 12.6396 14.6894 14.6998 15.3437 15.3594 15.5723 15.5761 17.1048 17.1097 k = 0.1771 0.3067 0.5118 ( 1284 PWs) bands (ev): -43.7916 -43.7916 -20.5825 -20.5793 -19.9739 -19.9704 -19.8181 -19.8109 -0.3752 -0.3751 6.6207 6.6276 8.3811 8.4058 9.4461 9.4789 12.6373 12.6396 14.6228 14.6326 15.3227 15.3380 15.5630 15.5665 17.0480 17.0529 k = 0.1719 0.2977 0.5118 ( 1280 PWs) bands (ev): -43.7921 -43.7921 -20.5817 -20.5788 -19.9727 -19.9693 -19.8150 -19.8083 -0.3972 -0.3970 6.5771 6.5835 8.4679 8.4925 9.4928 9.5250 12.6403 12.6427 14.5573 14.5666 15.3022 15.3170 15.5530 15.5563 16.9886 16.9936 k = 0.1667 0.2887 0.5118 ( 1280 PWs) bands (ev): -43.7926 -43.7926 -20.5809 -20.5782 -19.9714 -19.9682 -19.8119 -19.8057 -0.4191 -0.4189 6.5329 6.5388 8.5565 8.5808 9.5403 9.5720 12.6462 12.6487 14.4929 14.5019 15.2823 15.2966 15.5423 15.5455 16.9270 16.9319 k = 0.1615 0.2797 0.5118 ( 1280 PWs) bands (ev): -43.7932 -43.7932 -20.5802 -20.5777 -19.9701 -19.9671 -19.8088 -19.8030 -0.4408 -0.4407 6.4883 6.4936 8.6465 8.6706 9.5887 9.6198 12.6550 12.6576 14.4298 14.4383 15.2630 15.2768 15.5310 15.5340 16.8632 16.8682 k = 0.1562 0.2706 0.5118 ( 1280 PWs) bands (ev): -43.7937 -43.7937 -20.5794 -20.5772 -19.9687 -19.9659 -19.8058 -19.8004 -0.4624 -0.4623 6.4433 6.4482 8.7378 8.7617 9.6378 9.6684 12.6666 12.6693 14.3680 14.3761 15.2445 15.2579 15.5192 15.5220 16.7977 16.8028 k = 0.1510 0.2616 0.5118 ( 1280 PWs) bands (ev): -43.7943 -43.7943 -20.5787 -20.5767 -19.9673 -19.9648 -19.8027 -19.7977 -0.4838 -0.4837 6.3981 6.4026 8.8302 8.8539 9.6876 9.7177 12.6809 12.6837 14.3075 14.3153 15.2270 15.2400 15.5068 15.5095 16.7307 16.7358 k = 0.1458 0.2526 0.5118 ( 1280 PWs) bands (ev): -43.7948 -43.7948 -20.5780 -20.5762 -19.9659 -19.9636 -19.7996 -19.7951 -0.5049 -0.5048 6.3529 6.3570 8.9235 8.9470 9.7380 9.7676 12.6977 12.7006 14.2486 14.2559 15.2105 15.2230 15.4940 15.4966 16.6625 16.6676 k = 0.1406 0.2436 0.5118 ( 1284 PWs) bands (ev): -43.7954 -43.7954 -20.5774 -20.5758 -19.9646 -19.9624 -19.7966 -19.7924 -0.5257 -0.5256 6.3078 6.3114 9.0175 9.0407 9.7890 9.8179 12.7169 12.7199 14.1911 14.1981 15.1951 15.2073 15.4808 15.4832 16.5932 16.5983 k = 0.1354 0.2345 0.5118 ( 1284 PWs) bands (ev): -43.7959 -43.7959 -20.5768 -20.5753 -19.9632 -19.9612 -19.7935 -19.7897 -0.5461 -0.5460 6.2630 6.2662 9.1120 9.1349 9.8403 9.8686 12.7384 12.7414 14.1351 14.1418 15.1810 15.1928 15.4671 15.4695 16.5232 16.5283 k = 0.1302 0.2255 0.5118 ( 1284 PWs) bands (ev): -43.7965 -43.7965 -20.5762 -20.5748 -19.9618 -19.9599 -19.7905 -19.7870 -0.5661 -0.5660 6.2186 6.2214 9.2066 9.2292 9.8919 9.9196 12.7619 12.7650 14.0808 14.0871 15.1683 15.1796 15.4532 15.4555 16.4527 16.4578 k = 0.1250 0.2165 0.5118 ( 1280 PWs) bands (ev): -43.7970 -43.7970 -20.5756 -20.5744 -19.9603 -19.9587 -19.7874 -19.7843 -0.5856 -0.5855 6.1747 6.1772 9.3012 9.3236 9.9436 9.9707 12.7873 12.7904 14.0282 14.0342 15.1570 15.1680 15.4389 15.4411 16.3820 16.3871 k = 0.1198 0.2075 0.5118 ( 1284 PWs) bands (ev): -43.7975 -43.7975 -20.5750 -20.5740 -19.9590 -19.9575 -19.7845 -19.7817 -0.6046 -0.6046 6.1314 6.1337 9.3955 9.4176 9.9954 10.0218 12.8144 12.8175 13.9773 13.9829 15.1473 15.1578 15.4244 15.4265 16.3112 16.3163 k = 0.1146 0.1985 0.5118 ( 1284 PWs) bands (ev): -43.7980 -43.7980 -20.5745 -20.5736 -19.9576 -19.9563 -19.7815 -19.7791 -0.6231 -0.6231 6.0890 6.0910 9.4893 9.5110 10.0471 10.0728 12.8431 12.8462 13.9282 13.9335 15.1391 15.1493 15.4097 15.4117 16.2407 16.2458 k = 0.1094 0.1894 0.5118 ( 1284 PWs) bands (ev): -43.7985 -43.7985 -20.5740 -20.5732 -19.9563 -19.9551 -19.7787 -19.7765 -0.6410 -0.6410 6.0475 6.0492 9.5822 9.6035 10.0985 10.1235 12.8730 12.8761 13.8809 13.8859 15.1327 15.1425 15.3948 15.3967 16.1707 16.1757 k = 0.1042 0.1804 0.5118 ( 1292 PWs) bands (ev): -43.7991 -43.7991 -20.5736 -20.5729 -19.9551 -19.9540 -19.7759 -19.7740 -0.6583 -0.6583 6.0071 6.0086 9.6740 9.6948 10.1495 10.1738 12.9041 12.9071 13.8355 13.8403 15.1280 15.1375 15.3797 15.3817 16.1013 16.1063 k = 0.0990 0.1714 0.5118 ( 1292 PWs) bands (ev): -43.7995 -43.7995 -20.5732 -20.5725 -19.9538 -19.9528 -19.7732 -19.7715 -0.6750 -0.6749 5.9679 5.9691 9.7643 9.7847 10.2000 10.2234 12.9360 12.9389 13.7921 13.7965 15.1251 15.1342 15.3646 15.3665 16.0330 16.0378 k = 0.0938 0.1624 0.5118 ( 1300 PWs) bands (ev): -43.8000 -43.8000 -20.5728 -20.5723 -19.9526 -19.9518 -19.7706 -19.7692 -0.6909 -0.6909 5.9299 5.9310 9.8529 9.8728 10.2497 10.2723 12.9685 12.9714 13.7506 13.7548 15.1240 15.1327 15.3495 15.3514 15.9658 15.9706 k = 0.0885 0.1534 0.5118 ( 1300 PWs) bands (ev): -43.8005 -43.8005 -20.5724 -20.5720 -19.9514 -19.9507 -19.7680 -19.7668 -0.7062 -0.7062 5.8934 5.8943 9.9394 9.9587 10.2985 10.3202 13.0015 13.0043 13.7111 13.7150 15.1246 15.1329 15.3344 15.3363 15.9000 15.9047 k = 0.0833 0.1443 0.5118 ( 1300 PWs) bands (ev): -43.8009 -43.8009 -20.5721 -20.5717 -19.9503 -19.9497 -19.7655 -19.7645 -0.7207 -0.7207 5.8584 5.8592 10.0235 10.0421 10.3462 10.3670 13.0346 13.0373 13.6737 13.6774 15.1270 15.1350 15.3195 15.3213 15.8360 15.8406 k = 0.0781 0.1353 0.5118 ( 1310 PWs) bands (ev): -43.8013 -43.8013 -20.5719 -20.5716 -19.9493 -19.9488 -19.7632 -19.7623 -0.7345 -0.7345 5.8250 5.8256 10.1048 10.1228 10.3926 10.4125 13.0676 13.0702 13.6384 13.6418 15.1311 15.1387 15.3047 15.3065 15.7739 15.7783 k = 0.0729 0.1263 0.5118 ( 1306 PWs) bands (ev): -43.8017 -43.8017 -20.5715 -20.5713 -19.9482 -19.9478 -19.7608 -19.7601 -0.7475 -0.7475 5.7933 5.7938 10.1830 10.2002 10.4375 10.4564 13.1002 13.1027 13.6053 13.6084 15.1367 15.1440 15.2901 15.2920 15.7141 15.7183 k = 0.0677 0.1173 0.5118 ( 1306 PWs) bands (ev): -43.8021 -43.8021 -20.5713 -20.5711 -19.9472 -19.9469 -19.7586 -19.7581 -0.7597 -0.7597 5.7635 5.7639 10.2578 10.2741 10.4808 10.4985 13.1322 13.1346 13.5743 13.5772 15.1438 15.1507 15.2759 15.2779 15.6567 15.6608 k = 0.0625 0.1083 0.5118 ( 1306 PWs) bands (ev): -43.8024 -43.8024 -20.5710 -20.5709 -19.9463 -19.9461 -19.7566 -19.7561 -0.7710 -0.7710 5.7355 5.7358 10.3287 10.3441 10.5222 10.5387 13.1633 13.1656 13.5455 13.5482 15.1521 15.1587 15.2621 15.2642 15.6022 15.6060 k = 0.0573 0.0992 0.5118 ( 1306 PWs) bands (ev): -43.8028 -43.8028 -20.5708 -20.5707 -19.9455 -19.9453 -19.7547 -19.7543 -0.7816 -0.7816 5.7094 5.7097 10.3954 10.4097 10.5616 10.5768 13.1933 13.1954 13.5190 13.5214 15.1613 15.1678 15.2489 15.2511 15.5506 15.5542 k = 0.0521 0.0902 0.5118 ( 1302 PWs) bands (ev): -43.8031 -43.8031 -20.5706 -20.5705 -19.9447 -19.9445 -19.7528 -19.7526 -0.7912 -0.7912 5.6854 5.6856 10.4576 10.4707 10.5989 10.6126 13.2218 13.2237 13.4947 13.4969 15.1712 15.1776 15.2363 15.2389 15.5025 15.5057 k = 0.0469 0.0812 0.5118 ( 1298 PWs) bands (ev): -43.8033 -43.8033 -20.5704 -20.5703 -19.9439 -19.9438 -19.7511 -19.7510 -0.8000 -0.8000 5.6635 5.6637 10.5148 10.5265 10.6337 10.6460 13.2485 13.2503 13.4728 13.4747 15.1812 15.1878 15.2245 15.2278 15.4579 15.4609 k = 0.0417 0.0722 0.5118 ( 1302 PWs) bands (ev): -43.8036 -43.8036 -20.5703 -20.5702 -19.9433 -19.9433 -19.7497 -19.7496 -0.8079 -0.8079 5.6438 5.6439 10.5667 10.5768 10.6662 10.6767 13.2732 13.2748 13.4532 13.4549 15.1900 15.1975 15.2142 15.2188 15.4173 15.4199 k = 0.0365 0.0631 0.5118 ( 1306 PWs) bands (ev): -43.8038 -43.8038 -20.5702 -20.5701 -19.9428 -19.9428 -19.7485 -19.7484 -0.8149 -0.8149 5.6262 5.6263 10.6129 10.6212 10.6962 10.7047 13.2956 13.2970 13.4360 13.4375 15.1939 15.2001 15.2118 15.2155 15.3809 15.3832 k = 0.0312 0.0541 0.5118 ( 1306 PWs) bands (ev): -43.8040 -43.8040 -20.5701 -20.5700 -19.9423 -19.9423 -19.7473 -19.7472 -0.8210 -0.8210 5.6109 5.6109 10.6530 10.6593 10.7235 10.7300 13.3154 13.3166 13.4214 13.4226 15.1901 15.1925 15.2198 15.2202 15.3491 15.3510 k = 0.0260 0.0451 0.5118 ( 1306 PWs) bands (ev): -43.8042 -43.8042 -20.5700 -20.5700 -19.9419 -19.9419 -19.7463 -19.7463 -0.8262 -0.8262 5.5979 5.5979 10.6866 10.6908 10.7481 10.7525 13.3322 13.3331 13.4094 13.4104 15.1839 15.1849 15.2274 15.2280 15.3222 15.3238 k = 0.0208 0.0361 0.5118 ( 1306 PWs) bands (ev): -43.8043 -43.8043 -20.5699 -20.5699 -19.9416 -19.9416 -19.7455 -19.7455 -0.8304 -0.8304 5.5871 5.5872 10.7135 10.7159 10.7695 10.7720 13.3455 13.3462 13.4003 13.4011 15.1779 15.1784 15.2337 15.2344 15.3008 15.3020 k = 0.0156 0.0271 0.5118 ( 1310 PWs) bands (ev): -43.8044 -43.8044 -20.5699 -20.5699 -19.9414 -19.9414 -19.7449 -19.7449 -0.8337 -0.8337 5.5788 5.5788 10.7338 10.7349 10.7870 10.7881 13.3547 13.3551 13.3946 13.3951 15.1729 15.1731 15.2378 15.2383 15.2856 15.2863 k = 0.0104 0.0180 0.5118 ( 1310 PWs) bands (ev): -43.8045 -43.8045 -20.5698 -20.5698 -19.9412 -19.9412 -19.7445 -19.7445 -0.8361 -0.8361 5.5728 5.5728 10.7478 10.7482 10.7999 10.8003 13.3598 13.3599 13.3923 13.3925 15.1692 15.1693 15.2388 15.2390 15.2769 15.2771 k = 0.0052 0.0090 0.5118 ( 1310 PWs) bands (ev): -43.8045 -43.8045 -20.5698 -20.5698 -19.9411 -19.9411 -19.7442 -19.7442 -0.8375 -0.8375 5.5692 5.5692 10.7560 10.7560 10.8079 10.8079 13.3616 13.3616 13.3922 13.3922 15.1670 15.1670 15.2378 15.2378 15.2733 15.2733 k = 0.0000 0.0000 0.5118 ( 1310 PWs) bands (ev): -43.8046 -43.8046 -20.5698 -20.5698 -19.9410 -19.9410 -19.7441 -19.7441 -0.8379 -0.8379 5.5680 5.5680 10.7586 10.7586 10.8105 10.8105 13.3619 13.3619 13.3924 13.3924 15.1662 15.1662 15.2371 15.2371 15.2724 15.2724 k = 0.5000 0.2887 0.5118 ( 1276 PWs) bands (ev): -43.7855 -43.7855 -20.5909 -20.5909 -19.9928 -19.9928 -19.8354 -19.8354 -0.1037 -0.1037 7.1170 7.1170 7.3044 7.3044 9.2095 9.2095 12.8528 12.8528 15.3931 15.3931 15.6644 15.6644 15.8159 15.8159 17.5710 17.5710 k = 0.5000 0.2887 0.5014 ( 1276 PWs) bands (ev): -43.7855 -43.7855 -20.5910 -20.5908 -19.9929 -19.9926 -19.8355 -19.8354 -0.1045 -0.1041 7.1107 7.1166 7.3061 7.3108 9.2104 9.2105 12.8526 12.8534 15.3925 15.3930 15.6398 15.6601 15.8175 15.8390 17.5657 17.5666 k = 0.5000 0.2887 0.4909 ( 1276 PWs) bands (ev): -43.7855 -43.7855 -20.5908 -20.5905 -19.9927 -19.9923 -19.8356 -19.8355 -0.1064 -0.1056 7.0990 7.1096 7.3158 7.3244 9.2131 9.2133 12.8529 12.8546 15.3911 15.3922 15.6000 15.6293 15.8414 15.8732 17.5510 17.5528 k = 0.5000 0.2887 0.4805 ( 1276 PWs) bands (ev): -43.7856 -43.7856 -20.5906 -20.5901 -19.9925 -19.9919 -19.8357 -19.8356 -0.1095 -0.1083 7.0833 7.0974 7.3324 7.3434 9.2177 9.2179 12.8536 12.8561 15.3890 15.3905 15.5534 15.5856 15.8742 15.9101 17.5271 17.5298 k = 0.5000 0.2887 0.4701 ( 1280 PWs) bands (ev): -43.7857 -43.7857 -20.5903 -20.5897 -19.9922 -19.9914 -19.8359 -19.8357 -0.1136 -0.1121 7.0648 7.0814 7.3543 7.3667 9.2241 9.2244 12.8547 12.8580 15.3861 15.3879 15.5035 15.5364 15.9087 15.9466 17.4945 17.4980 k = 0.5000 0.2887 0.4596 ( 1280 PWs) bands (ev): -43.7858 -43.7858 -20.5898 -20.5890 -19.9918 -19.9907 -19.8361 -19.8358 -0.1189 -0.1169 7.0444 7.0626 7.3804 7.3935 9.2324 9.2327 12.8559 12.8600 15.3824 15.3842 15.4521 15.4844 15.9427 15.9816 17.4539 17.4583 k = 0.5000 0.2887 0.4492 ( 1280 PWs) bands (ev): -43.7860 -43.7860 -20.5892 -20.5883 -19.9912 -19.9899 -19.8363 -19.8360 -0.1252 -0.1229 7.0224 7.0419 7.4101 7.4234 9.2424 9.2428 12.8572 12.8621 15.3765 15.3779 15.4029 15.4312 15.9750 16.0144 17.4059 17.4112 k = 0.5000 0.2887 0.4387 ( 1280 PWs) bands (ev): -43.7862 -43.7862 -20.5885 -20.5874 -19.9904 -19.9890 -19.8365 -19.8362 -0.1325 -0.1299 6.9993 7.0196 7.4429 7.4562 9.2542 9.2547 12.8582 12.8639 15.3405 15.3710 15.3791 15.3809 16.0053 16.0449 17.3516 17.3576 k = 0.5000 0.2887 0.4283 ( 1288 PWs) bands (ev): -43.7864 -43.7864 -20.5877 -20.5866 -19.9897 -19.9880 -19.8368 -19.8365 -0.1408 -0.1379 6.9750 6.9960 7.4786 7.4916 9.2678 9.2683 12.8589 12.8653 15.2891 15.3232 15.3672 15.3739 16.0334 16.0730 17.2915 17.2983 k = 0.5000 0.2887 0.4178 ( 1288 PWs) bands (ev): -43.7866 -43.7866 -20.5868 -20.5855 -19.9887 -19.9869 -19.8371 -19.8367 -0.1501 -0.1468 6.9497 6.9712 7.5171 7.5298 9.2831 9.2837 12.8588 12.8659 15.2375 15.2708 15.3603 15.3673 16.0593 16.0986 17.2265 17.2341 k = 0.5000 0.2887 0.4074 ( 1288 PWs) bands (ev): -43.7869 -43.7869 -20.5858 -20.5844 -19.9876 -19.9856 -19.8374 -19.8370 -0.1603 -0.1567 6.9234 6.9453 7.5583 7.5705 9.3002 9.3008 12.8577 12.8655 15.1871 15.2197 15.3526 15.3601 16.0828 16.1218 17.1575 17.1658 k = 0.5000 0.2887 0.3969 ( 1292 PWs) bands (ev): -43.7871 -43.7871 -20.5848 -20.5832 -19.9865 -19.9843 -19.8378 -19.8373 -0.1713 -0.1674 6.8962 6.9183 7.6021 7.6139 9.3189 9.3196 12.8553 12.8637 15.1387 15.1709 15.3440 15.3522 16.1042 16.1427 17.0850 17.0941 k = 0.5000 0.2887 0.3865 ( 1292 PWs) bands (ev): -43.7874 -43.7874 -20.5836 -20.5819 -19.9851 -19.9828 -19.8381 -19.8376 -0.1831 -0.1789 6.8682 6.8905 7.6485 7.6598 9.3392 9.3400 12.8512 12.8602 15.0930 15.1247 15.3345 15.3434 16.1234 16.1614 17.0099 17.0198 k = 0.5000 0.2887 0.3760 ( 1290 PWs) bands (ev): -43.7877 -43.7877 -20.5823 -20.5805 -19.9837 -19.9812 -19.8384 -19.8379 -0.1956 -0.1912 6.8393 6.8617 7.6975 7.7083 9.3612 9.3620 12.8451 12.8546 15.0505 15.0819 15.3241 15.3337 16.1407 16.1780 16.9328 16.9434 k = 0.5000 0.2887 0.3656 ( 1294 PWs) bands (ev): -43.7881 -43.7881 -20.5810 -20.5791 -19.9822 -19.9795 -19.8389 -19.8383 -0.2088 -0.2041 6.8096 6.8320 7.7490 7.7593 9.3847 9.3855 12.8367 12.8466 15.0119 15.0429 15.3126 15.3229 16.1560 16.1926 16.8542 16.8656 k = 0.5000 0.2887 0.3552 ( 1298 PWs) bands (ev): -43.7884 -43.7884 -20.5797 -20.5777 -19.9806 -19.9778 -19.8393 -19.8386 -0.2225 -0.2177 6.7792 6.8017 7.8028 7.8127 9.4097 9.4105 12.8256 12.8359 14.9774 15.0082 15.2999 15.3111 16.1696 16.2055 16.7747 16.7869 k = 0.5000 0.2887 0.3447 ( 1294 PWs) bands (ev): -43.7888 -43.7888 -20.5782 -20.5761 -19.9789 -19.9759 -19.8396 -19.8390 -0.2369 -0.2318 6.7482 6.7706 7.8591 7.8685 9.4361 9.4370 12.8116 12.8222 14.9477 14.9783 15.2861 15.2981 16.1816 16.2167 16.6949 16.7079 k = 0.5000 0.2887 0.3343 ( 1298 PWs) bands (ev): -43.7892 -43.7892 -20.5767 -20.5746 -19.9771 -19.9741 -19.8400 -19.8393 -0.2516 -0.2464 6.7167 6.7390 7.9176 7.9265 9.4639 9.4649 12.7944 12.8053 14.9230 14.9534 15.2709 15.2838 16.1921 16.2265 16.6152 16.6291 k = 0.5000 0.2887 0.3238 ( 1302 PWs) bands (ev): -43.7896 -43.7896 -20.5753 -20.5731 -19.9753 -19.9721 -19.8404 -19.8397 -0.2668 -0.2614 6.6847 6.7069 7.9782 7.9867 9.4931 9.4941 12.7740 12.7850 14.9036 14.9338 15.2543 15.2681 16.2012 16.2349 16.5361 16.5509 k = 0.5000 0.2887 0.3134 ( 1302 PWs) bands (ev): -43.7900 -43.7900 -20.5737 -20.5715 -19.9734 -19.9701 -19.8407 -19.8400 -0.2823 -0.2768 6.6524 6.6744 8.0408 8.0489 9.5235 9.5245 12.7502 12.7613 14.8896 14.9197 15.2361 15.2508 16.2092 16.2422 16.4581 16.4738 k = 0.5000 0.2887 0.3029 ( 1302 PWs) bands (ev): -43.7904 -43.7904 -20.5722 -20.5699 -19.9713 -19.9680 -19.8411 -19.8403 -0.2980 -0.2924 6.6199 6.6416 8.1054 8.1131 9.5550 9.5561 12.7231 12.7342 14.8812 14.9112 15.2162 15.2318 16.2160 16.2485 16.3817 16.3985 k = 0.5000 0.2887 0.2925 ( 1302 PWs) bands (ev): -43.7908 -43.7908 -20.5706 -20.5683 -19.9693 -19.9659 -19.8414 -19.8406 -0.3140 -0.3083 6.5872 6.6086 8.1717 8.1791 9.5877 9.5888 12.6926 12.7037 14.8782 14.9081 15.1944 15.2109 16.2214 16.2538 16.3075 16.3258 k = 0.5000 0.2887 0.2820 ( 1298 PWs) bands (ev): -43.7912 -43.7912 -20.5690 -20.5666 -19.9672 -19.9637 -19.8416 -19.8408 -0.3300 -0.3243 6.5545 6.5756 8.2396 8.2466 9.6213 9.6225 12.6591 12.6700 14.8806 14.9105 15.1706 15.1879 16.2218 16.2343 16.2598 16.2599 k = 0.5000 0.2887 0.2716 ( 1294 PWs) bands (ev): -43.7917 -43.7917 -20.5674 -20.5650 -19.9650 -19.9615 -19.8419 -19.8410 -0.3461 -0.3404 6.5219 6.5426 8.3090 8.3157 9.6559 9.6571 12.6226 12.6333 14.8882 14.9180 15.1445 15.1626 16.1658 16.1796 16.2388 16.2638 k = 0.5000 0.2887 0.2611 ( 1288 PWs) bands (ev): -43.7921 -43.7921 -20.5658 -20.5634 -19.9627 -19.9592 -19.8421 -19.8412 -0.3622 -0.3565 6.4895 6.5098 8.3797 8.3861 9.6913 9.6924 12.5835 12.5939 14.9006 14.9305 15.1160 15.1349 16.1001 16.1166 16.2414 16.2678 k = 0.5000 0.2887 0.2507 ( 1288 PWs) bands (ev): -43.7925 -43.7925 -20.5642 -20.5618 -19.9606 -19.9571 -19.8422 -19.8414 -0.3782 -0.3725 6.4574 6.4772 8.4515 8.4576 9.7273 9.7285 12.5420 12.5521 14.9175 14.9476 15.0851 15.1047 16.0380 16.0555 16.2455 16.2718 k = 0.5000 0.2887 0.2402 ( 1286 PWs) bands (ev): -43.7930 -43.7930 -20.5627 -20.5603 -19.9584 -19.9549 -19.8424 -19.8415 -0.3941 -0.3884 6.4257 6.4450 8.5242 8.5300 9.7640 9.7652 12.4984 12.5081 14.9384 14.9689 15.0516 15.0721 15.9799 15.9979 16.2499 16.2758 k = 0.5000 0.2887 0.2298 ( 1284 PWs) bands (ev): -43.7934 -43.7934 -20.5612 -20.5589 -19.9562 -19.9527 -19.8425 -19.8416 -0.4098 -0.4041 6.3945 6.4133 8.5977 8.6032 9.8011 9.8023 12.4531 12.4624 14.9620 14.9934 15.0161 15.0378 15.9261 15.9442 16.2547 16.2801 k = 0.5000 0.2887 0.2194 ( 1288 PWs) bands (ev): -43.7938 -43.7938 -20.5598 -20.5575 -19.9541 -19.9507 -19.8426 -19.8417 -0.4252 -0.4196 6.3640 6.3822 8.6716 8.6769 9.8385 9.8397 12.4063 12.4153 14.9762 14.9784 15.0114 15.0234 15.8766 15.8947 16.2600 16.2847 k = 0.5000 0.2887 0.2089 ( 1292 PWs) bands (ev): -43.7943 -43.7943 -20.5585 -20.5562 -19.9521 -19.9487 -19.8426 -19.8418 -0.4403 -0.4348 6.3341 6.3517 8.7458 8.7508 9.8761 9.8773 12.3584 12.3670 14.9355 14.9506 15.0298 15.0548 15.8315 15.8493 16.2659 16.2900 k = 0.5000 0.2887 0.1985 ( 1292 PWs) bands (ev): -43.7947 -43.7947 -20.5571 -20.5549 -19.9500 -19.9467 -19.8426 -19.8418 -0.4550 -0.4496 6.3051 6.3221 8.8201 8.8249 9.9137 9.9149 12.3098 12.3179 14.8926 14.9089 15.0624 15.0890 15.7907 15.8080 16.2726 16.2960 k = 0.5000 0.2887 0.1880 ( 1292 PWs) bands (ev): -43.7951 -43.7951 -20.5558 -20.5536 -19.9481 -19.9448 -19.8425 -19.8417 -0.4692 -0.4641 6.2771 6.2933 8.8941 8.8987 9.9512 9.9524 12.2606 12.2682 14.8479 14.8643 15.0983 15.1253 15.7541 15.7707 16.2804 16.3030 k = 0.5000 0.2887 0.1776 ( 1292 PWs) bands (ev): -43.7955 -43.7955 -20.5546 -20.5525 -19.9462 -19.9430 -19.8424 -19.8416 -0.4830 -0.4780 6.2500 6.2655 8.9677 8.9720 9.9883 9.9896 12.2112 12.2184 14.8021 14.8180 15.1361 15.1632 15.7214 15.7372 16.2894 16.3113 k = 0.5000 0.2887 0.1671 ( 1290 PWs) bands (ev): -43.7958 -43.7958 -20.5534 -20.5513 -19.9443 -19.9413 -19.8422 -19.8414 -0.4962 -0.4914 6.2240 6.2388 9.0405 9.0446 10.0250 10.0263 12.1619 12.1686 14.7555 14.7707 15.1753 15.2022 15.6923 15.7071 16.3000 16.3210 k = 0.5000 0.2887 0.1567 ( 1286 PWs) bands (ev): -43.7962 -43.7962 -20.5522 -20.5502 -19.9425 -19.9396 -19.8420 -19.8412 -0.5089 -0.5043 6.1992 6.2132 9.1122 9.1161 10.0611 10.0623 12.1129 12.1192 14.7086 14.7230 15.2152 15.2418 15.6665 15.6803 16.3123 16.3324 k = 0.5000 0.2887 0.1462 ( 1286 PWs) bands (ev): -43.7966 -43.7966 -20.5511 -20.5493 -19.9409 -19.9381 -19.8417 -19.8410 -0.5210 -0.5166 6.1757 6.1889 9.1825 9.1862 10.0962 10.0974 12.0645 12.0703 14.6620 14.6755 15.2552 15.2814 15.6437 15.6564 16.3267 16.3458 k = 0.5000 0.2887 0.1358 ( 1286 PWs) bands (ev): -43.7969 -43.7969 -20.5501 -20.5483 -19.9393 -19.9367 -19.8414 -19.8407 -0.5323 -0.5282 6.1535 6.1658 9.2511 9.2546 10.1303 10.1314 12.0170 12.0224 14.6162 14.6287 15.2949 15.3204 15.6237 15.6352 16.3433 16.3612 k = 0.5000 0.2887 0.1253 ( 1286 PWs) bands (ev): -43.7972 -43.7972 -20.5491 -20.5475 -19.9379 -19.9354 -19.8411 -19.8405 -0.5430 -0.5392 6.1327 6.1442 9.3175 9.3208 10.1630 10.1641 11.9707 11.9756 14.5716 14.5831 15.3337 15.3583 15.6061 15.6165 16.3623 16.3789 k = 0.5000 0.2887 0.1149 ( 1286 PWs) bands (ev): -43.7975 -43.7975 -20.5483 -20.5467 -19.9365 -19.9342 -19.8408 -19.8402 -0.5530 -0.5494 6.1133 6.1240 9.3815 9.3845 10.1943 10.1954 11.9259 11.9304 14.5288 14.5393 15.3709 15.3945 15.5907 15.5999 16.3837 16.3989 k = 0.5000 0.2887 0.1045 ( 1284 PWs) bands (ev): -43.7978 -43.7978 -20.5474 -20.5460 -19.9352 -19.9332 -19.8404 -19.8399 -0.5621 -0.5588 6.0955 6.1052 9.4425 9.4453 10.2238 10.2249 11.8829 11.8869 14.4881 14.4976 15.4061 15.4285 15.5773 15.5854 16.4076 16.4213 k = 0.5000 0.2887 0.0940 ( 1280 PWs) bands (ev): -43.7980 -43.7980 -20.5466 -20.5454 -19.9341 -19.9322 -19.8400 -19.8395 -0.5705 -0.5675 6.0793 6.0881 9.5000 9.5026 10.2514 10.2524 11.8421 11.8457 14.4501 14.4586 15.4388 15.4598 15.5660 15.5727 16.4338 16.4459 k = 0.5000 0.2887 0.0836 ( 1280 PWs) bands (ev): -43.7982 -43.7982 -20.5460 -20.5448 -19.9330 -19.9313 -19.8397 -19.8392 -0.5781 -0.5753 6.0647 6.0725 9.5537 9.5560 10.2769 10.2777 11.8038 11.8070 14.4149 14.4225 15.4682 15.4879 15.5567 15.5620 16.4617 16.4722 k = 0.5000 0.2887 0.0731 ( 1280 PWs) bands (ev): -43.7984 -43.7984 -20.5454 -20.5443 -19.9321 -19.9306 -19.8393 -19.8390 -0.5847 -0.5824 6.0517 6.0586 9.6029 9.6049 10.2999 10.3007 11.7685 11.7713 14.3831 14.3897 15.4936 15.5119 15.5498 15.5536 16.4909 16.4997 k = 0.5000 0.2887 0.0627 ( 1284 PWs) bands (ev): -43.7986 -43.7986 -20.5449 -20.5440 -19.9314 -19.9301 -19.8391 -19.8387 -0.5906 -0.5885 6.0405 6.0465 9.6471 9.6489 10.3204 10.3211 11.7366 11.7390 14.3550 14.3605 15.5128 15.5286 15.5472 15.5504 16.5204 16.5275 k = 0.5000 0.2887 0.0522 ( 1286 PWs) bands (ev): -43.7988 -43.7988 -20.5444 -20.5437 -19.9307 -19.9296 -19.8388 -19.8385 -0.5955 -0.5938 6.0310 6.0360 9.6858 9.6873 10.3380 10.3386 11.7086 11.7106 14.3307 14.3353 15.5211 15.5309 15.5534 15.5594 16.5491 16.5546 k = 0.5000 0.2887 0.0418 ( 1286 PWs) bands (ev): -43.7989 -43.7989 -20.5440 -20.5434 -19.9301 -19.9293 -19.8385 -19.8383 -0.5995 -0.5981 6.0233 6.0273 9.7184 9.7196 10.3528 10.3533 11.6849 11.6865 14.3105 14.3142 15.5212 15.5272 15.5655 15.5722 16.5755 16.5796 k = 0.5000 0.2887 0.0313 ( 1280 PWs) bands (ev): -43.7990 -43.7990 -20.5436 -20.5432 -19.9296 -19.9289 -19.8383 -19.8381 -0.6026 -0.6016 6.0174 6.0204 9.7444 9.7453 10.3644 10.3648 11.6660 11.6672 14.2948 14.2975 15.5194 15.5234 15.5770 15.5826 16.5983 16.6012 k = 0.5000 0.2887 0.0209 ( 1284 PWs) bands (ev): -43.7991 -43.7991 -20.5434 -20.5431 -19.9292 -19.9288 -19.8382 -19.8381 -0.6048 -0.6041 6.0133 6.0154 9.7634 9.7640 10.3728 10.3731 11.6522 11.6530 14.2835 14.2854 15.5178 15.5204 15.5861 15.5899 16.6160 16.6178 k = 0.5000 0.2887 0.0104 ( 1284 PWs) bands (ev): -43.7991 -43.7991 -20.5432 -20.5431 -19.9290 -19.9288 -19.8381 -19.8380 -0.6060 -0.6057 6.0111 6.0121 9.7750 9.7753 10.3780 10.3781 11.6439 11.6443 14.2769 14.2778 15.5171 15.5183 15.5920 15.5939 16.6273 16.6282 k = 0.5000 0.2887-0.0000 ( 1288 PWs) bands (ev): -43.7991 -43.7991 -20.5432 -20.5432 -19.9289 -19.9289 -19.8380 -19.8380 -0.6063 -0.6063 6.0107 6.0107 9.7790 9.7790 10.3797 10.3797 11.6413 11.6413 14.2750 14.2750 15.5172 15.5172 15.5946 15.5946 16.6315 16.6315 k = 0.3333 0.5774-0.0000 ( 1299 PWs) bands (ev): -43.7966 -43.7966 -20.5549 -20.5376 -19.9126 -19.8975 -19.8879 -19.8838 -0.3841 -0.3688 6.9255 6.9590 7.5934 7.6049 9.8185 9.8226 13.5192 13.5350 13.9598 13.9995 14.4771 14.4856 14.6987 14.7313 17.6779 17.6973 k = 0.3333 0.5774 0.0104 ( 1305 PWs) bands (ev): -43.7966 -43.7966 -20.5550 -20.5377 -19.9127 -19.8976 -19.8880 -19.8839 -0.3837 -0.3684 6.9270 6.9605 7.5928 7.6044 9.8147 9.8189 13.5154 13.5306 13.9662 14.0052 14.4780 14.4864 14.7014 14.7339 17.6754 17.6948 k = 0.3333 0.5774 0.0209 ( 1305 PWs) bands (ev): -43.7966 -43.7966 -20.5551 -20.5379 -19.9126 -19.8979 -19.8883 -19.8838 -0.3826 -0.3673 6.9315 6.9650 7.5911 7.6027 9.8036 9.8078 13.5046 13.5182 13.9844 14.0218 14.4806 14.4890 14.7092 14.7417 17.6679 17.6871 k = 0.3333 0.5774 0.0313 ( 1305 PWs) bands (ev): -43.7965 -43.7965 -20.5552 -20.5380 -19.9124 -19.8984 -19.8888 -19.8837 -0.3807 -0.3655 6.9389 6.9725 7.5882 7.6000 9.7852 9.7895 13.4881 13.4997 14.0128 14.0479 14.4849 14.4933 14.7222 14.7545 17.6555 17.6746 k = 0.3333 0.5774 0.0418 ( 1299 PWs) bands (ev): -43.7964 -43.7964 -20.5554 -20.5383 -19.9121 -19.8991 -19.8895 -19.8834 -0.3780 -0.3629 6.9494 6.9830 7.5843 7.5963 9.7598 9.7641 13.4676 13.4770 14.0491 14.0819 14.4908 14.4993 14.7400 14.7722 17.6384 17.6573 k = 0.3333 0.5774 0.0522 ( 1299 PWs) bands (ev): -43.7963 -43.7963 -20.5557 -20.5386 -19.9118 -19.9000 -19.8904 -19.8832 -0.3747 -0.3597 6.9627 6.9964 7.5793 7.5915 9.7275 9.7320 13.4445 13.4519 14.0917 14.1222 14.4985 14.5070 14.7624 14.7945 17.6171 17.6357 k = 0.3333 0.5774 0.0627 ( 1299 PWs) bands (ev): -43.7961 -43.7961 -20.5560 -20.5390 -19.9114 -19.9011 -19.8915 -19.8829 -0.3706 -0.3557 6.9790 7.0128 7.5732 7.5856 9.6889 9.6935 13.4202 13.4258 14.1391 14.1675 14.5079 14.5164 14.7891 14.8209 17.5918 17.6101 k = 0.3333 0.5774 0.0731 ( 1302 PWs) bands (ev): -43.7960 -43.7960 -20.5564 -20.5396 -19.9110 -19.9025 -19.8929 -19.8826 -0.3658 -0.3511 6.9981 7.0320 7.5660 7.5788 9.6442 9.6490 13.3954 13.3996 14.1904 14.2170 14.5189 14.5274 14.8196 14.8511 17.5629 17.5808 k = 0.3333 0.5774 0.0836 ( 1302 PWs) bands (ev): -43.7958 -43.7958 -20.5569 -20.5402 -19.9105 -19.9040 -19.8944 -19.8823 -0.3603 -0.3458 7.0201 7.0541 7.5578 7.5710 9.5940 9.5990 13.3709 13.3739 14.2450 14.2699 14.5315 14.5400 14.8535 14.8847 17.5309 17.5484 k = 0.3333 0.5774 0.0940 ( 1302 PWs) bands (ev): -43.7956 -43.7956 -20.5574 -20.5408 -19.9099 -19.9057 -19.8960 -19.8818 -0.3541 -0.3398 7.0448 7.0789 7.5487 7.5622 9.5387 9.5439 13.3472 13.3491 14.3023 14.3256 14.5457 14.5543 14.8905 14.9212 17.4963 17.5133 k = 0.3333 0.5774 0.1045 ( 1302 PWs) bands (ev): -43.7953 -43.7953 -20.5580 -20.5416 -19.9093 -19.9075 -19.8979 -19.8814 -0.3472 -0.3332 7.0722 7.1064 7.5386 7.5526 9.4788 9.4843 13.3245 13.3257 14.3620 14.3838 14.5615 14.5702 14.9299 14.9602 17.4594 17.4758 k = 0.3333 0.5774 0.1149 ( 1302 PWs) bands (ev): -43.7950 -43.7950 -20.5586 -20.5424 -19.9095 -19.9087 -19.8998 -19.8809 -0.3397 -0.3259 7.1023 7.1366 7.5275 7.5421 9.4148 9.4205 13.3032 13.3036 14.4237 14.4441 14.5788 14.5877 14.9713 15.0012 17.4207 17.4365 k = 0.3333 0.5774 0.1253 ( 1302 PWs) bands (ev): -43.7947 -43.7947 -20.5593 -20.5433 -19.9116 -19.9079 -19.9019 -19.8804 -0.3316 -0.3180 7.1349 7.1694 7.5157 7.5308 9.3472 9.3532 13.2832 13.2833 14.4874 14.5061 14.5976 14.6070 15.0144 15.0437 17.3805 17.3956 k = 0.3333 0.5774 0.1358 ( 1308 PWs) bands (ev): -43.7944 -43.7944 -20.5601 -20.5443 -19.9139 -19.9072 -19.9042 -19.8799 -0.3228 -0.3096 7.1700 7.2047 7.5030 7.5187 9.2764 9.2827 13.2646 13.2651 14.5527 14.5689 14.6178 14.6285 15.0586 15.0872 17.3393 17.3536 k = 0.3333 0.5774 0.1462 ( 1302 PWs) bands (ev): -43.7941 -43.7941 -20.5608 -20.5452 -19.9162 -19.9065 -19.9063 -19.8792 -0.3135 -0.3006 7.2075 7.2424 7.4896 7.5059 9.2029 9.2096 13.2477 13.2486 14.6196 14.6280 14.6394 14.6569 15.1035 15.1315 17.2973 17.3109 k = 0.3333 0.5774 0.1567 ( 1290 PWs) bands (ev): -43.7937 -43.7937 -20.5616 -20.5462 -19.9185 -19.9089 -19.9053 -19.8785 -0.3036 -0.2911 7.2473 7.2823 7.4756 7.4925 9.1272 9.1344 13.2326 13.2338 14.6623 14.6647 14.6880 14.7103 15.1488 15.1760 17.2550 17.2677 k = 0.3333 0.5774 0.1671 ( 1290 PWs) bands (ev): -43.7934 -43.7934 -20.5625 -20.5474 -19.9211 -19.9115 -19.9044 -19.8778 -0.2933 -0.2810 7.2893 7.3244 7.4609 7.4785 9.0497 9.0573 13.2194 13.2208 14.6865 14.6911 14.7576 14.7768 15.1940 15.2204 17.2126 17.2243 k = 0.3333 0.5774 0.1776 ( 1290 PWs) bands (ev): -43.7930 -43.7930 -20.5635 -20.5486 -19.9238 -19.9141 -19.9035 -19.8771 -0.2824 -0.2705 7.3333 7.3685 7.4456 7.4641 8.9708 8.9788 13.2080 13.2096 14.7118 14.7171 14.8285 14.8460 15.2389 15.2643 17.1704 17.1811 k = 0.3333 0.5774 0.1880 ( 1290 PWs) bands (ev): -43.7926 -43.7926 -20.5645 -20.5499 -19.9265 -19.9168 -19.9025 -19.8764 -0.2711 -0.2596 7.3793 7.4137 7.4298 7.4499 8.8909 8.8994 13.1984 13.2001 14.7383 14.7437 14.9006 14.9168 15.2830 15.3075 17.1287 17.1382 k = 0.3333 0.5774 0.1985 ( 1278 PWs) bands (ev): -43.7922 -43.7922 -20.5655 -20.5511 -19.9291 -19.9195 -19.9013 -19.8756 -0.2594 -0.2483 7.4137 7.4271 7.4312 7.4649 8.8104 8.8194 13.1906 13.1924 14.7657 14.7712 14.9737 14.9889 15.3262 15.3495 17.0877 17.0960 k = 0.3333 0.5774 0.2089 ( 1278 PWs) bands (ev): -43.7918 -43.7918 -20.5667 -20.5525 -19.9319 -19.9223 -19.9003 -19.8748 -0.2473 -0.2366 7.3971 7.4165 7.4765 7.5135 8.7296 8.7391 13.1845 13.1863 14.7941 14.7996 15.0479 15.0621 15.3681 15.3902 17.0477 17.0547 k = 0.3333 0.5774 0.2194 ( 1278 PWs) bands (ev): -43.7914 -43.7914 -20.5678 -20.5540 -19.9348 -19.9251 -19.8993 -19.8741 -0.2349 -0.2247 7.3803 7.4005 7.5274 7.5646 8.6488 8.6588 13.1801 13.1820 14.8234 14.8288 15.1230 15.1363 15.4084 15.4293 17.0089 17.0144 k = 0.3333 0.5774 0.2298 ( 1278 PWs) bands (ev): -43.7909 -43.7909 -20.5691 -20.5554 -19.9376 -19.9280 -19.8982 -19.8733 -0.2222 -0.2124 7.3632 7.3842 7.5797 7.6171 8.5684 8.5789 13.1773 13.1792 14.8534 14.8587 15.1991 15.2114 15.4471 15.4666 16.9715 16.9754 k = 0.3333 0.5774 0.2402 ( 1278 PWs) bands (ev): -43.7905 -43.7905 -20.5703 -20.5570 -19.9404 -19.9308 -19.8971 -19.8725 -0.2093 -0.1999 7.3460 7.3678 7.6331 7.6708 8.4886 8.4997 13.1760 13.1780 14.8841 14.8892 15.2760 15.2875 15.4839 15.5018 16.9356 16.9379 k = 0.3333 0.5774 0.2507 ( 1284 PWs) bands (ev): -43.7901 -43.7901 -20.5717 -20.5586 -19.9433 -19.9337 -19.8961 -19.8718 -0.1961 -0.1873 7.3287 7.3512 7.6876 7.7256 8.4097 8.4214 13.1762 13.1781 14.9153 14.9203 15.3538 15.3643 15.5185 15.5348 16.9015 16.9020 k = 0.3333 0.5774 0.2611 ( 1290 PWs) bands (ev): -43.7897 -43.7897 -20.5731 -20.5603 -19.9462 -19.9366 -19.8950 -19.8710 -0.1829 -0.1745 7.3115 7.3347 7.7428 7.7812 8.3320 8.3442 13.1777 13.1797 14.9469 14.9517 15.4324 15.4420 15.5509 15.5655 16.8680 16.8694 k = 0.3333 0.5774 0.2716 ( 1281 PWs) bands (ev): -43.7892 -43.7892 -20.5744 -20.5618 -19.9489 -19.9393 -19.8939 -19.8702 -0.1695 -0.1617 7.2943 7.3181 7.7986 7.8374 8.2558 8.2684 13.1805 13.1825 14.9789 14.9835 15.5117 15.5205 15.5810 15.5936 16.8359 16.8394 k = 0.3333 0.5774 0.2820 ( 1287 PWs) bands (ev): -43.7888 -43.7888 -20.5758 -20.5635 -19.9517 -19.9421 -19.8928 -19.8694 -0.1562 -0.1488 7.2772 7.3018 7.8547 7.8941 8.1812 8.1943 13.1844 13.1865 15.0110 15.0154 15.5919 15.5998 15.6085 15.6192 16.8059 16.8116 k = 0.3333 0.5774 0.2925 ( 1287 PWs) bands (ev): -43.7884 -43.7884 -20.5772 -20.5651 -19.9543 -19.9448 -19.8917 -19.8687 -0.1428 -0.1359 7.2603 7.2856 7.9108 7.9509 8.1087 8.1220 13.1894 13.1915 15.0431 15.0474 15.6335 15.6421 15.6728 15.6798 16.7782 16.7861 k = 0.3333 0.5774 0.3029 ( 1293 PWs) bands (ev): -43.7880 -43.7880 -20.5786 -20.5668 -19.9570 -19.9475 -19.8908 -19.8680 -0.1296 -0.1231 7.2437 7.2696 7.9653 8.0077 8.0398 8.0517 13.1953 13.1974 15.0752 15.0793 15.6558 15.6622 15.7545 15.7605 16.7528 16.7630 k = 0.3333 0.5774 0.3134 ( 1293 PWs) bands (ev): -43.7876 -43.7876 -20.5800 -20.5685 -19.9595 -19.9500 -19.8897 -19.8672 -0.1165 -0.1105 7.2275 7.2540 7.9646 7.9837 8.0280 8.0642 13.2020 13.2042 15.1070 15.1109 15.6755 15.6797 15.8369 15.8421 16.7297 16.7423 k = 0.3333 0.5774 0.3238 ( 1293 PWs) bands (ev): -43.7872 -43.7871 -20.5814 -20.5701 -19.9619 -19.9524 -19.8887 -19.8665 -0.1035 -0.0981 7.2117 7.2388 7.9007 7.9181 8.0812 8.1202 13.2094 13.2117 15.1385 15.1422 15.6926 15.6946 15.9200 15.9243 16.7091 16.7241 k = 0.3333 0.5774 0.3343 ( 1293 PWs) bands (ev): -43.7868 -43.7868 -20.5828 -20.5717 -19.9642 -19.9548 -19.8877 -19.8658 -0.0909 -0.0859 7.1963 7.2241 7.8376 7.8551 8.1355 8.1753 13.2174 13.2197 15.1694 15.1729 15.7069 15.7071 16.0040 16.0074 16.6909 16.7083 k = 0.3333 0.5774 0.3447 ( 1293 PWs) bands (ev): -43.7864 -43.7864 -20.5841 -20.5732 -19.9665 -19.9571 -19.8868 -19.8651 -0.0785 -0.0740 7.1815 7.2098 7.7769 7.7948 8.1890 8.2294 13.2259 13.2282 15.1997 15.2030 15.7167 15.7192 16.0888 16.0912 16.6750 16.6947 k = 0.3333 0.5774 0.3552 ( 1293 PWs) bands (ev): -43.7860 -43.7860 -20.5854 -20.5747 -19.9686 -19.9592 -19.8859 -19.8645 -0.0666 -0.0625 7.1672 7.1961 7.7190 7.7375 8.2413 8.2822 13.2346 13.2370 15.2291 15.2322 15.7243 15.7289 16.1743 16.1758 16.6614 16.6834 k = 0.3333 0.5774 0.3656 ( 1293 PWs) bands (ev): -43.7857 -43.7857 -20.5867 -20.5762 -19.9706 -19.9612 -19.8850 -19.8638 -0.0550 -0.0514 7.1536 7.1831 7.6642 7.6831 8.2920 8.3334 13.2436 13.2460 15.2575 15.2605 15.7299 15.7365 16.2607 16.2613 16.6500 16.6741 k = 0.3333 0.5774 0.3760 ( 1287 PWs) bands (ev): -43.7853 -43.7853 -20.5878 -20.5775 -19.9724 -19.9631 -19.8842 -19.8632 -0.0440 -0.0407 7.1407 7.1707 7.6125 7.6319 8.3409 8.3826 13.2525 13.2551 15.2848 15.2877 15.7337 15.7421 16.3477 16.3480 16.6405 16.6666 k = 0.3333 0.5774 0.3865 ( 1287 PWs) bands (ev): -43.7850 -43.7850 -20.5890 -20.5789 -19.9742 -19.9648 -19.8834 -19.8627 -0.0335 -0.0306 7.1285 7.1590 7.5641 7.5841 8.3875 8.4297 13.2615 13.2641 15.3108 15.3135 15.7359 15.7461 16.4350 16.4360 16.6330 16.6607 k = 0.3333 0.5774 0.3969 ( 1290 PWs) bands (ev): -43.7847 -43.7847 -20.5901 -20.5802 -19.9758 -19.9665 -19.8827 -19.8622 -0.0236 -0.0211 7.1171 7.1481 7.5191 7.5396 8.4318 8.4743 13.2702 13.2729 15.3354 15.3380 15.7368 15.7485 16.5233 16.5246 16.6275 16.6563 k = 0.3333 0.5774 0.4074 ( 1290 PWs) bands (ev): -43.7845 -43.7845 -20.5912 -20.5813 -19.9773 -19.9681 -19.8820 -19.8617 -0.0144 -0.0123 7.1066 7.1380 7.4776 7.4986 8.4733 8.5162 13.2786 13.2814 15.3583 15.3608 15.7367 15.7498 16.6067 16.6126 16.6309 16.6531 k = 0.3333 0.5774 0.4178 ( 1290 PWs) bands (ev): -43.7842 -43.7842 -20.5921 -20.5824 -19.9787 -19.9695 -19.8814 -19.8612 -0.0059 -0.0041 7.0969 7.1288 7.4398 7.4613 8.5118 8.5550 13.2866 13.2895 15.3795 15.3820 15.7358 15.7501 16.6161 16.6508 16.7030 16.7092 k = 0.3333 0.5774 0.4283 ( 1290 PWs) bands (ev): -43.7840 -43.7840 -20.5930 -20.5834 -19.9799 -19.9707 -19.8808 -19.8608 0.0019 0.0034 7.0881 7.1204 7.4057 7.4276 8.5471 8.5906 13.2941 13.2970 15.3989 15.4013 15.7344 15.7496 16.6143 16.6494 16.7946 16.8009 k = 0.3333 0.5774 0.4387 ( 1290 PWs) bands (ev): -43.7838 -43.7838 -20.5938 -20.5843 -19.9810 -19.9718 -19.8803 -19.8605 0.0088 0.0100 7.0803 7.1129 7.3754 7.3977 8.5788 8.6226 13.3010 13.3039 15.4163 15.4186 15.7326 15.7487 16.6126 16.6486 16.8873 16.8944 k = 0.3333 0.5774 0.4492 ( 1290 PWs) bands (ev): -43.7836 -43.7836 -20.5945 -20.5851 -19.9820 -19.9728 -19.8799 -19.8601 0.0149 0.0159 7.0734 7.1064 7.3490 7.3717 8.6068 8.6509 13.3071 13.3101 15.4316 15.4339 15.7307 15.7474 16.6115 16.6482 16.9813 16.9892 k = 0.3333 0.5774 0.4596 ( 1296 PWs) bands (ev): -43.7835 -43.7835 -20.5952 -20.5859 -19.9829 -19.9737 -19.8795 -19.8599 0.0202 0.0209 7.0676 7.1008 7.3266 7.3496 8.6309 8.6752 13.3124 13.3155 15.4446 15.4470 15.7289 15.7461 16.6107 16.6481 17.0766 17.0854 k = 0.3333 0.5774 0.4701 ( 1293 PWs) bands (ev): -43.7833 -43.7833 -20.5956 -20.5864 -19.9835 -19.9743 -19.8792 -19.8596 0.0245 0.0251 7.0627 7.0962 7.3081 7.3314 8.6509 8.6954 13.3169 13.3200 15.4555 15.4579 15.7272 15.7448 16.6103 16.6482 17.1733 17.1830 k = 0.3333 0.5774 0.4805 ( 1290 PWs) bands (ev): -43.7832 -43.7832 -20.5960 -20.5868 -19.9840 -19.9748 -19.8789 -19.8594 0.0279 0.0284 7.0589 7.0927 7.2937 7.3173 8.6666 8.7112 13.3204 13.3236 15.4639 15.4664 15.7257 15.7436 16.6101 16.6483 17.2715 17.2821 k = 0.3333 0.5774 0.4909 ( 1290 PWs) bands (ev): -43.7832 -43.7832 -20.5963 -20.5871 -19.9843 -19.9752 -19.8787 -19.8593 0.0303 0.0307 7.0562 7.0901 7.2834 7.3071 8.6779 8.7226 13.3230 13.3262 15.4700 15.4725 15.7246 15.7427 16.6100 16.6485 17.3711 17.3827 k = 0.3333 0.5774 0.5014 ( 1284 PWs) bands (ev): -43.7831 -43.7831 -20.5964 -20.5873 -19.9845 -19.9754 -19.8786 -19.8592 0.0318 0.0321 7.0546 7.0886 7.2772 7.3011 8.6848 8.7295 13.3245 13.3278 15.4737 15.4762 15.7240 15.7422 16.6099 16.6486 17.4722 17.4848 k = 0.3333 0.5774 0.5118 ( 1296 PWs) bands (ev): -43.7831 -43.7831 -20.5966 -20.5874 -19.9847 -19.9756 -19.8786 -19.8593 0.0323 0.0326 7.0540 7.0880 7.2752 7.2990 8.6870 8.7318 13.3250 13.3283 15.4749 15.4774 15.7237 15.7420 16.6099 16.6487 17.5677 17.5830 Writing output data file TiS.save init_run : 3.55s CPU 13.18s WALL ( 1 calls) electrons : 131.62s CPU 136.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 131.59s CPU 135.48s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.79s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.14s CPU 0.53s WALL ( 1 calls) newd : 0.47s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 460 calls) cegterg : 97.99s CPU 98.86s WALL ( 464 calls) Called by sum_band: Called by *egterg: h_psi : 52.53s CPU 55.95s WALL ( 6989 calls) s_psi : 5.11s CPU 5.56s WALL ( 6989 calls) g_psi : 0.05s CPU 0.12s WALL ( 6065 calls) cdiaghg : 29.77s CPU 29.43s WALL ( 6525 calls) cegterg:over : 8.97s CPU 7.23s WALL ( 6065 calls) cegterg:upda : 0.28s CPU 1.03s WALL ( 6065 calls) cegterg:last : 0.37s CPU 0.81s WALL ( 1570 calls) Called by h_psi: h_psi:vloc : 43.35s CPU 46.21s WALL ( 6989 calls) h_psi:vnl : 9.16s CPU 9.66s WALL ( 6989 calls) add_vuspsi : 2.07s CPU 3.72s WALL ( 6989 calls) General routines calbec : 7.07s CPU 5.88s WALL ( 6989 calls) fft : 0.45s CPU 1.35s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 41.46s CPU 43.63s WALL ( 526904 calls) interpolate : 0.04s CPU 0.09s WALL ( 4 calls) davcio : 0.04s CPU 1.62s WALL ( 920 calls) Parallel routines fft_scatter : 30.62s CPU 30.51s WALL ( 526927 calls) PWSCF : 2m52.40s CPU 5m16.08s WALL This run was terminated on: 17:36:54 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=