Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31:51 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: ./MgO.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 13 3 817 377 59 Max 22 14 4 822 402 68 Sum 1027 637 187 39315 18717 3079 bravais-lattice index = 14 lattice parameter (alat) = 6.1957 a.u. unit-cell volume = 306.1638 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.195656 celldm(2)= 1.000000 celldm(3)= 1.486488 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.486488 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.672727 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Mg 10.00 24.30500 Mg( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7432441 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7432441 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7432441 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 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 [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7432441 ) 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. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7432441 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7432441 ) 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 C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 412 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0089286 0.0051549 -0.0000000), wk = 0.0024272 k( 3) = ( 0.0178571 0.0103098 -0.0000000), wk = 0.0024272 k( 4) = ( 0.0267857 0.0154647 -0.0000000), wk = 0.0024272 k( 5) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0024272 k( 6) = ( 0.0446429 0.0257746 -0.0000000), wk = 0.0024272 k( 7) = ( 0.0535714 0.0309295 -0.0000000), wk = 0.0024272 k( 8) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0024272 k( 9) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0024272 k( 10) = ( 0.0803571 0.0463942 -0.0000000), wk = 0.0024272 k( 11) = ( 0.0892857 0.0515491 -0.0000000), wk = 0.0024272 k( 12) = ( 0.0982143 0.0567040 -0.0000000), wk = 0.0024272 k( 13) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0024272 k( 14) = ( 0.1160714 0.0670139 -0.0000000), wk = 0.0024272 k( 15) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0024272 k( 16) = ( 0.1339286 0.0773237 -0.0000000), wk = 0.0024272 k( 17) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0024272 k( 18) = ( 0.1517857 0.0876335 -0.0000000), wk = 0.0024272 k( 19) = ( 0.1607143 0.0927884 -0.0000000), wk = 0.0024272 k( 20) = ( 0.1696429 0.0979434 -0.0000000), wk = 0.0024272 k( 21) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0024272 k( 22) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0024272 k( 23) = ( 0.1964286 0.1134081 -0.0000000), wk = 0.0024272 k( 24) = ( 0.2053571 0.1185630 -0.0000000), wk = 0.0024272 k( 25) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0024272 k( 26) = ( 0.2232143 0.1288728 -0.0000000), wk = 0.0024272 k( 27) = ( 0.2321429 0.1340277 -0.0000000), wk = 0.0024272 k( 28) = ( 0.2410714 0.1391827 -0.0000000), wk = 0.0024272 k( 29) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0024272 k( 30) = ( 0.2589286 0.1494925 -0.0000000), wk = 0.0024272 k( 31) = ( 0.2678571 0.1546474 -0.0000000), wk = 0.0024272 k( 32) = ( 0.2767857 0.1598023 -0.0000000), wk = 0.0024272 k( 33) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0024272 k( 34) = ( 0.2946429 0.1701121 -0.0000000), wk = 0.0024272 k( 35) = ( 0.3035714 0.1752670 -0.0000000), wk = 0.0024272 k( 36) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0024272 k( 37) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0024272 k( 38) = ( 0.3303571 0.1907318 -0.0000000), wk = 0.0024272 k( 39) = ( 0.3392857 0.1958867 -0.0000000), wk = 0.0024272 k( 40) = ( 0.3482143 0.2010416 -0.0000000), wk = 0.0024272 k( 41) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0024272 k( 42) = ( 0.3660714 0.2113514 -0.0000000), wk = 0.0024272 k( 43) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0024272 k( 44) = ( 0.3839286 0.2216613 -0.0000000), wk = 0.0024272 k( 45) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0024272 k( 46) = ( 0.4017857 0.2319711 -0.0000000), wk = 0.0024272 k( 47) = ( 0.4107143 0.2371260 -0.0000000), wk = 0.0024272 k( 48) = ( 0.4196429 0.2422809 -0.0000000), wk = 0.0024272 k( 49) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0024272 k( 50) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0024272 k( 51) = ( 0.4464286 0.2577457 -0.0000000), wk = 0.0024272 k( 52) = ( 0.4553571 0.2629006 -0.0000000), wk = 0.0024272 k( 53) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0024272 k( 54) = ( 0.4732143 0.2732104 -0.0000000), wk = 0.0024272 k( 55) = ( 0.4821429 0.2783653 -0.0000000), wk = 0.0024272 k( 56) = ( 0.4910714 0.2835202 -0.0000000), wk = 0.0024272 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024272 k( 58) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024272 k( 59) = ( 0.4947917 0.2976962 -0.0000000), wk = 0.0024272 k( 60) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0024272 k( 61) = ( 0.4843750 0.3157384 -0.0000000), wk = 0.0024272 k( 62) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0024272 k( 63) = ( 0.4739583 0.3337806 -0.0000000), wk = 0.0024272 k( 64) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0024272 k( 65) = ( 0.4635417 0.3518228 -0.0000000), wk = 0.0024272 k( 66) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0024272 k( 67) = ( 0.4531250 0.3698650 -0.0000000), wk = 0.0024272 k( 68) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0024272 k( 69) = ( 0.4427083 0.3879072 -0.0000000), wk = 0.0024272 k( 70) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0024272 k( 71) = ( 0.4322917 0.4059494 -0.0000000), wk = 0.0024272 k( 72) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0024272 k( 73) = ( 0.4218750 0.4239916 -0.0000000), wk = 0.0024272 k( 74) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0024272 k( 75) = ( 0.4114583 0.4420338 -0.0000000), wk = 0.0024272 k( 76) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0024272 k( 77) = ( 0.4010417 0.4600760 -0.0000000), wk = 0.0024272 k( 78) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0024272 k( 79) = ( 0.3906250 0.4781182 -0.0000000), wk = 0.0024272 k( 80) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0024272 k( 81) = ( 0.3802083 0.4961604 -0.0000000), wk = 0.0024272 k( 82) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0024272 k( 83) = ( 0.3697917 0.5142026 -0.0000000), wk = 0.0024272 k( 84) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0024272 k( 85) = ( 0.3593750 0.5322448 -0.0000000), wk = 0.0024272 k( 86) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0024272 k( 87) = ( 0.3489583 0.5502870 -0.0000000), wk = 0.0024272 k( 88) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0024272 k( 89) = ( 0.3385417 0.5683292 -0.0000000), wk = 0.0024272 k( 90) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024272 k( 91) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024272 k( 92) = ( 0.3281250 0.5683292 -0.0000000), wk = 0.0024272 k( 93) = ( 0.3229167 0.5593081 -0.0000000), wk = 0.0024272 k( 94) = ( 0.3177083 0.5502870 -0.0000000), wk = 0.0024272 k( 95) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0024272 k( 96) = ( 0.3072917 0.5322448 -0.0000000), wk = 0.0024272 k( 97) = ( 0.3020833 0.5232237 -0.0000000), wk = 0.0024272 k( 98) = ( 0.2968750 0.5142026 -0.0000000), wk = 0.0024272 k( 99) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0024272 k( 100) = ( 0.2864583 0.4961604 -0.0000000), wk = 0.0024272 k( 101) = ( 0.2812500 0.4871393 -0.0000000), wk = 0.0024272 k( 102) = ( 0.2760417 0.4781182 -0.0000000), wk = 0.0024272 k( 103) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0024272 k( 104) = ( 0.2656250 0.4600760 -0.0000000), wk = 0.0024272 k( 105) = ( 0.2604167 0.4510549 -0.0000000), wk = 0.0024272 k( 106) = ( 0.2552083 0.4420338 -0.0000000), wk = 0.0024272 k( 107) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0024272 k( 108) = ( 0.2447917 0.4239916 -0.0000000), wk = 0.0024272 k( 109) = ( 0.2395833 0.4149705 -0.0000000), wk = 0.0024272 k( 110) = ( 0.2343750 0.4059494 -0.0000000), wk = 0.0024272 k( 111) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0024272 k( 112) = ( 0.2239583 0.3879072 -0.0000000), wk = 0.0024272 k( 113) = ( 0.2187500 0.3788861 -0.0000000), wk = 0.0024272 k( 114) = ( 0.2135417 0.3698650 -0.0000000), wk = 0.0024272 k( 115) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0024272 k( 116) = ( 0.2031250 0.3518228 -0.0000000), wk = 0.0024272 k( 117) = ( 0.1979167 0.3428017 -0.0000000), wk = 0.0024272 k( 118) = ( 0.1927083 0.3337806 -0.0000000), wk = 0.0024272 k( 119) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0024272 k( 120) = ( 0.1822917 0.3157384 -0.0000000), wk = 0.0024272 k( 121) = ( 0.1770833 0.3067173 -0.0000000), wk = 0.0024272 k( 122) = ( 0.1718750 0.2976962 -0.0000000), wk = 0.0024272 k( 123) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0024272 k( 124) = ( 0.1614583 0.2796540 -0.0000000), wk = 0.0024272 k( 125) = ( 0.1562500 0.2706329 -0.0000000), wk = 0.0024272 k( 126) = ( 0.1510417 0.2616118 -0.0000000), wk = 0.0024272 k( 127) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0024272 k( 128) = ( 0.1406250 0.2435696 -0.0000000), wk = 0.0024272 k( 129) = ( 0.1354167 0.2345486 -0.0000000), wk = 0.0024272 k( 130) = ( 0.1302083 0.2255274 -0.0000000), wk = 0.0024272 k( 131) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0024272 k( 132) = ( 0.1197917 0.2074853 -0.0000000), wk = 0.0024272 k( 133) = ( 0.1145833 0.1984641 -0.0000000), wk = 0.0024272 k( 134) = ( 0.1093750 0.1894431 -0.0000000), wk = 0.0024272 k( 135) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0024272 k( 136) = ( 0.0989583 0.1714009 -0.0000000), wk = 0.0024272 k( 137) = ( 0.0937500 0.1623798 -0.0000000), wk = 0.0024272 k( 138) = ( 0.0885417 0.1533587 -0.0000000), wk = 0.0024272 k( 139) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0024272 k( 140) = ( 0.0781250 0.1353165 -0.0000000), wk = 0.0024272 k( 141) = ( 0.0729167 0.1262954 -0.0000000), wk = 0.0024272 k( 142) = ( 0.0677083 0.1172743 -0.0000000), wk = 0.0024272 k( 143) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0024272 k( 144) = ( 0.0572917 0.0992321 -0.0000000), wk = 0.0024272 k( 145) = ( 0.0520833 0.0902110 -0.0000000), wk = 0.0024272 k( 146) = ( 0.0468750 0.0811899 -0.0000000), wk = 0.0024272 k( 147) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0024272 k( 148) = ( 0.0364583 0.0631477 -0.0000000), wk = 0.0024272 k( 149) = ( 0.0312500 0.0541266 -0.0000000), wk = 0.0024272 k( 150) = ( 0.0260417 0.0451055 -0.0000000), wk = 0.0024272 k( 151) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0024272 k( 152) = ( 0.0156250 0.0270633 -0.0000000), wk = 0.0024272 k( 153) = ( 0.0104167 0.0180422 -0.0000000), wk = 0.0024272 k( 154) = ( 0.0052083 0.0090211 -0.0000000), wk = 0.0024272 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 157) = ( 0.0000000 0.0000000 0.0101928), wk = 0.0024272 k( 158) = ( 0.0000000 0.0000000 0.0203857), wk = 0.0024272 k( 159) = ( 0.0000000 0.0000000 0.0305785), wk = 0.0024272 k( 160) = ( 0.0000000 0.0000000 0.0407713), wk = 0.0024272 k( 161) = ( 0.0000000 0.0000000 0.0509641), wk = 0.0024272 k( 162) = ( 0.0000000 0.0000000 0.0611570), wk = 0.0024272 k( 163) = ( 0.0000000 0.0000000 0.0713498), wk = 0.0024272 k( 164) = ( 0.0000000 0.0000000 0.0815426), wk = 0.0024272 k( 165) = ( 0.0000000 0.0000000 0.0917354), wk = 0.0024272 k( 166) = ( 0.0000000 0.0000000 0.1019283), wk = 0.0024272 k( 167) = ( 0.0000000 0.0000000 0.1121211), wk = 0.0024272 k( 168) = ( 0.0000000 0.0000000 0.1223139), wk = 0.0024272 k( 169) = ( 0.0000000 0.0000000 0.1325067), wk = 0.0024272 k( 170) = ( 0.0000000 0.0000000 0.1426996), wk = 0.0024272 k( 171) = ( 0.0000000 0.0000000 0.1528924), wk = 0.0024272 k( 172) = ( 0.0000000 0.0000000 0.1630852), wk = 0.0024272 k( 173) = ( 0.0000000 0.0000000 0.1732780), wk = 0.0024272 k( 174) = ( 0.0000000 0.0000000 0.1834709), wk = 0.0024272 k( 175) = ( 0.0000000 0.0000000 0.1936637), wk = 0.0024272 k( 176) = ( 0.0000000 0.0000000 0.2038565), wk = 0.0024272 k( 177) = ( 0.0000000 0.0000000 0.2140494), wk = 0.0024272 k( 178) = ( 0.0000000 0.0000000 0.2242422), wk = 0.0024272 k( 179) = ( 0.0000000 0.0000000 0.2344350), wk = 0.0024272 k( 180) = ( 0.0000000 0.0000000 0.2446278), wk = 0.0024272 k( 181) = ( 0.0000000 0.0000000 0.2548207), wk = 0.0024272 k( 182) = ( 0.0000000 0.0000000 0.2650135), wk = 0.0024272 k( 183) = ( 0.0000000 0.0000000 0.2752063), wk = 0.0024272 k( 184) = ( 0.0000000 0.0000000 0.2853991), wk = 0.0024272 k( 185) = ( 0.0000000 0.0000000 0.2955920), wk = 0.0024272 k( 186) = ( 0.0000000 0.0000000 0.3057848), wk = 0.0024272 k( 187) = ( 0.0000000 0.0000000 0.3159776), wk = 0.0024272 k( 188) = ( 0.0000000 0.0000000 0.3261704), wk = 0.0024272 k( 189) = ( 0.0000000 0.0000000 0.3363633), wk = 0.0024272 k( 190) = ( 0.0000000 0.0000000 0.3363633), wk = 0.0024272 k( 191) = ( 0.0089286 0.0051549 0.3363633), wk = 0.0024272 k( 192) = ( 0.0178571 0.0103098 0.3363633), wk = 0.0024272 k( 193) = ( 0.0267857 0.0154647 0.3363633), wk = 0.0024272 k( 194) = ( 0.0357143 0.0206197 0.3363633), wk = 0.0024272 k( 195) = ( 0.0446429 0.0257746 0.3363633), wk = 0.0024272 k( 196) = ( 0.0535714 0.0309295 0.3363633), wk = 0.0024272 k( 197) = ( 0.0625000 0.0360844 0.3363633), wk = 0.0024272 k( 198) = ( 0.0714286 0.0412393 0.3363633), wk = 0.0024272 k( 199) = ( 0.0803571 0.0463942 0.3363633), wk = 0.0024272 k( 200) = ( 0.0892857 0.0515491 0.3363633), wk = 0.0024272 k( 201) = ( 0.0982143 0.0567040 0.3363633), wk = 0.0024272 k( 202) = ( 0.1071429 0.0618590 0.3363633), wk = 0.0024272 k( 203) = ( 0.1160714 0.0670139 0.3363633), wk = 0.0024272 k( 204) = ( 0.1250000 0.0721688 0.3363633), wk = 0.0024272 k( 205) = ( 0.1339286 0.0773237 0.3363633), wk = 0.0024272 k( 206) = ( 0.1428571 0.0824786 0.3363633), wk = 0.0024272 k( 207) = ( 0.1517857 0.0876335 0.3363633), wk = 0.0024272 k( 208) = ( 0.1607143 0.0927884 0.3363633), wk = 0.0024272 k( 209) = ( 0.1696429 0.0979434 0.3363633), wk = 0.0024272 k( 210) = ( 0.1785714 0.1030983 0.3363633), wk = 0.0024272 k( 211) = ( 0.1875000 0.1082532 0.3363633), wk = 0.0024272 k( 212) = ( 0.1964286 0.1134081 0.3363633), wk = 0.0024272 k( 213) = ( 0.2053571 0.1185630 0.3363633), wk = 0.0024272 k( 214) = ( 0.2142857 0.1237179 0.3363633), wk = 0.0024272 k( 215) = ( 0.2232143 0.1288728 0.3363633), wk = 0.0024272 k( 216) = ( 0.2321429 0.1340277 0.3363633), wk = 0.0024272 k( 217) = ( 0.2410714 0.1391827 0.3363633), wk = 0.0024272 k( 218) = ( 0.2500000 0.1443376 0.3363633), wk = 0.0024272 k( 219) = ( 0.2589286 0.1494925 0.3363633), wk = 0.0024272 k( 220) = ( 0.2678571 0.1546474 0.3363633), wk = 0.0024272 k( 221) = ( 0.2767857 0.1598023 0.3363633), wk = 0.0024272 k( 222) = ( 0.2857143 0.1649572 0.3363633), wk = 0.0024272 k( 223) = ( 0.2946429 0.1701121 0.3363633), wk = 0.0024272 k( 224) = ( 0.3035714 0.1752670 0.3363633), wk = 0.0024272 k( 225) = ( 0.3125000 0.1804220 0.3363633), wk = 0.0024272 k( 226) = ( 0.3214286 0.1855769 0.3363633), wk = 0.0024272 k( 227) = ( 0.3303571 0.1907318 0.3363633), wk = 0.0024272 k( 228) = ( 0.3392857 0.1958867 0.3363633), wk = 0.0024272 k( 229) = ( 0.3482143 0.2010416 0.3363633), wk = 0.0024272 k( 230) = ( 0.3571429 0.2061965 0.3363633), wk = 0.0024272 k( 231) = ( 0.3660714 0.2113514 0.3363633), wk = 0.0024272 k( 232) = ( 0.3750000 0.2165064 0.3363633), wk = 0.0024272 k( 233) = ( 0.3839286 0.2216613 0.3363633), wk = 0.0024272 k( 234) = ( 0.3928571 0.2268162 0.3363633), wk = 0.0024272 k( 235) = ( 0.4017857 0.2319711 0.3363633), wk = 0.0024272 k( 236) = ( 0.4107143 0.2371260 0.3363633), wk = 0.0024272 k( 237) = ( 0.4196429 0.2422809 0.3363633), wk = 0.0024272 k( 238) = ( 0.4285714 0.2474358 0.3363633), wk = 0.0024272 k( 239) = ( 0.4375000 0.2525907 0.3363633), wk = 0.0024272 k( 240) = ( 0.4464286 0.2577457 0.3363633), wk = 0.0024272 k( 241) = ( 0.4553571 0.2629006 0.3363633), wk = 0.0024272 k( 242) = ( 0.4642857 0.2680555 0.3363633), wk = 0.0024272 k( 243) = ( 0.4732143 0.2732104 0.3363633), wk = 0.0024272 k( 244) = ( 0.4821429 0.2783653 0.3363633), wk = 0.0024272 k( 245) = ( 0.4910714 0.2835202 0.3363633), wk = 0.0024272 k( 246) = ( 0.5000000 0.2886751 0.3363633), wk = 0.0024272 k( 247) = ( 0.5000000 0.2886751 0.3363633), wk = 0.0024272 k( 248) = ( 0.4947917 0.2976962 0.3363633), wk = 0.0024272 k( 249) = ( 0.4895833 0.3067173 0.3363633), wk = 0.0024272 k( 250) = ( 0.4843750 0.3157384 0.3363633), wk = 0.0024272 k( 251) = ( 0.4791667 0.3247595 0.3363633), wk = 0.0024272 k( 252) = ( 0.4739583 0.3337806 0.3363633), wk = 0.0024272 k( 253) = ( 0.4687500 0.3428017 0.3363633), wk = 0.0024272 k( 254) = ( 0.4635417 0.3518228 0.3363633), wk = 0.0024272 k( 255) = ( 0.4583333 0.3608439 0.3363633), wk = 0.0024272 k( 256) = ( 0.4531250 0.3698650 0.3363633), wk = 0.0024272 k( 257) = ( 0.4479167 0.3788861 0.3363633), wk = 0.0024272 k( 258) = ( 0.4427083 0.3879072 0.3363633), wk = 0.0024272 k( 259) = ( 0.4375000 0.3969283 0.3363633), wk = 0.0024272 k( 260) = ( 0.4322917 0.4059494 0.3363633), wk = 0.0024272 k( 261) = ( 0.4270833 0.4149705 0.3363633), wk = 0.0024272 k( 262) = ( 0.4218750 0.4239916 0.3363633), wk = 0.0024272 k( 263) = ( 0.4166667 0.4330127 0.3363633), wk = 0.0024272 k( 264) = ( 0.4114583 0.4420338 0.3363633), wk = 0.0024272 k( 265) = ( 0.4062500 0.4510549 0.3363633), wk = 0.0024272 k( 266) = ( 0.4010417 0.4600760 0.3363633), wk = 0.0024272 k( 267) = ( 0.3958333 0.4690971 0.3363633), wk = 0.0024272 k( 268) = ( 0.3906250 0.4781182 0.3363633), wk = 0.0024272 k( 269) = ( 0.3854167 0.4871393 0.3363633), wk = 0.0024272 k( 270) = ( 0.3802083 0.4961604 0.3363633), wk = 0.0024272 k( 271) = ( 0.3750000 0.5051815 0.3363633), wk = 0.0024272 k( 272) = ( 0.3697917 0.5142026 0.3363633), wk = 0.0024272 k( 273) = ( 0.3645833 0.5232237 0.3363633), wk = 0.0024272 k( 274) = ( 0.3593750 0.5322448 0.3363633), wk = 0.0024272 k( 275) = ( 0.3541667 0.5412659 0.3363633), wk = 0.0024272 k( 276) = ( 0.3489583 0.5502870 0.3363633), wk = 0.0024272 k( 277) = ( 0.3437500 0.5593081 0.3363633), wk = 0.0024272 k( 278) = ( 0.3385417 0.5683292 0.3363633), wk = 0.0024272 k( 279) = ( 0.3333333 0.5773503 0.3363633), wk = 0.0024272 k( 280) = ( 0.3333333 0.5773503 0.3363633), wk = 0.0024272 k( 281) = ( 0.3281250 0.5683292 0.3363633), wk = 0.0024272 k( 282) = ( 0.3229167 0.5593081 0.3363633), wk = 0.0024272 k( 283) = ( 0.3177083 0.5502870 0.3363633), wk = 0.0024272 k( 284) = ( 0.3125000 0.5412659 0.3363633), wk = 0.0024272 k( 285) = ( 0.3072917 0.5322448 0.3363633), wk = 0.0024272 k( 286) = ( 0.3020833 0.5232237 0.3363633), wk = 0.0024272 k( 287) = ( 0.2968750 0.5142026 0.3363633), wk = 0.0024272 k( 288) = ( 0.2916667 0.5051815 0.3363633), wk = 0.0024272 k( 289) = ( 0.2864583 0.4961604 0.3363633), wk = 0.0024272 k( 290) = ( 0.2812500 0.4871393 0.3363633), wk = 0.0024272 k( 291) = ( 0.2760417 0.4781182 0.3363633), wk = 0.0024272 k( 292) = ( 0.2708333 0.4690971 0.3363633), wk = 0.0024272 k( 293) = ( 0.2656250 0.4600760 0.3363633), wk = 0.0024272 k( 294) = ( 0.2604167 0.4510549 0.3363633), wk = 0.0024272 k( 295) = ( 0.2552083 0.4420338 0.3363633), wk = 0.0024272 k( 296) = ( 0.2500000 0.4330127 0.3363633), wk = 0.0024272 k( 297) = ( 0.2447917 0.4239916 0.3363633), wk = 0.0024272 k( 298) = ( 0.2395833 0.4149705 0.3363633), wk = 0.0024272 k( 299) = ( 0.2343750 0.4059494 0.3363633), wk = 0.0024272 k( 300) = ( 0.2291667 0.3969283 0.3363633), wk = 0.0024272 k( 301) = ( 0.2239583 0.3879072 0.3363633), wk = 0.0024272 k( 302) = ( 0.2187500 0.3788861 0.3363633), wk = 0.0024272 k( 303) = ( 0.2135417 0.3698650 0.3363633), wk = 0.0024272 k( 304) = ( 0.2083333 0.3608439 0.3363633), wk = 0.0024272 k( 305) = ( 0.2031250 0.3518228 0.3363633), wk = 0.0024272 k( 306) = ( 0.1979167 0.3428017 0.3363633), wk = 0.0024272 k( 307) = ( 0.1927083 0.3337806 0.3363633), wk = 0.0024272 k( 308) = ( 0.1875000 0.3247595 0.3363633), wk = 0.0024272 k( 309) = ( 0.1822917 0.3157384 0.3363633), wk = 0.0024272 k( 310) = ( 0.1770833 0.3067173 0.3363633), wk = 0.0024272 k( 311) = ( 0.1718750 0.2976962 0.3363633), wk = 0.0024272 k( 312) = ( 0.1666667 0.2886751 0.3363633), wk = 0.0024272 k( 313) = ( 0.1614583 0.2796540 0.3363633), wk = 0.0024272 k( 314) = ( 0.1562500 0.2706329 0.3363633), wk = 0.0024272 k( 315) = ( 0.1510417 0.2616118 0.3363633), wk = 0.0024272 k( 316) = ( 0.1458333 0.2525907 0.3363633), wk = 0.0024272 k( 317) = ( 0.1406250 0.2435696 0.3363633), wk = 0.0024272 k( 318) = ( 0.1354167 0.2345486 0.3363633), wk = 0.0024272 k( 319) = ( 0.1302083 0.2255274 0.3363633), wk = 0.0024272 k( 320) = ( 0.1250000 0.2165064 0.3363633), wk = 0.0024272 k( 321) = ( 0.1197917 0.2074853 0.3363633), wk = 0.0024272 k( 322) = ( 0.1145833 0.1984641 0.3363633), wk = 0.0024272 k( 323) = ( 0.1093750 0.1894431 0.3363633), wk = 0.0024272 k( 324) = ( 0.1041667 0.1804220 0.3363633), wk = 0.0024272 k( 325) = ( 0.0989583 0.1714009 0.3363633), wk = 0.0024272 k( 326) = ( 0.0937500 0.1623798 0.3363633), wk = 0.0024272 k( 327) = ( 0.0885417 0.1533587 0.3363633), wk = 0.0024272 k( 328) = ( 0.0833333 0.1443376 0.3363633), wk = 0.0024272 k( 329) = ( 0.0781250 0.1353165 0.3363633), wk = 0.0024272 k( 330) = ( 0.0729167 0.1262954 0.3363633), wk = 0.0024272 k( 331) = ( 0.0677083 0.1172743 0.3363633), wk = 0.0024272 k( 332) = ( 0.0625000 0.1082532 0.3363633), wk = 0.0024272 k( 333) = ( 0.0572917 0.0992321 0.3363633), wk = 0.0024272 k( 334) = ( 0.0520833 0.0902110 0.3363633), wk = 0.0024272 k( 335) = ( 0.0468750 0.0811899 0.3363633), wk = 0.0024272 k( 336) = ( 0.0416667 0.0721688 0.3363633), wk = 0.0024272 k( 337) = ( 0.0364583 0.0631477 0.3363633), wk = 0.0024272 k( 338) = ( 0.0312500 0.0541266 0.3363633), wk = 0.0024272 k( 339) = ( 0.0260417 0.0451055 0.3363633), wk = 0.0024272 k( 340) = ( 0.0208333 0.0360844 0.3363633), wk = 0.0024272 k( 341) = ( 0.0156250 0.0270633 0.3363633), wk = 0.0024272 k( 342) = ( 0.0104167 0.0180422 0.3363633), wk = 0.0024272 k( 343) = ( 0.0052083 0.0090211 0.3363633), wk = 0.0024272 k( 344) = ( 0.0000000 0.0000000 0.3363633), wk = 0.0024272 k( 345) = ( 0.5000000 0.2886751 0.3363633), wk = 0.0024272 k( 346) = ( 0.5000000 0.2886751 0.3261704), wk = 0.0024272 k( 347) = ( 0.5000000 0.2886751 0.3159776), wk = 0.0024272 k( 348) = ( 0.5000000 0.2886751 0.3057848), wk = 0.0024272 k( 349) = ( 0.5000000 0.2886751 0.2955920), wk = 0.0024272 k( 350) = ( 0.5000000 0.2886751 0.2853991), wk = 0.0024272 k( 351) = ( 0.5000000 0.2886751 0.2752063), wk = 0.0024272 k( 352) = ( 0.5000000 0.2886751 0.2650135), wk = 0.0024272 k( 353) = ( 0.5000000 0.2886751 0.2548207), wk = 0.0024272 k( 354) = ( 0.5000000 0.2886751 0.2446278), wk = 0.0024272 k( 355) = ( 0.5000000 0.2886751 0.2344350), wk = 0.0024272 k( 356) = ( 0.5000000 0.2886751 0.2242422), wk = 0.0024272 k( 357) = ( 0.5000000 0.2886751 0.2140494), wk = 0.0024272 k( 358) = ( 0.5000000 0.2886751 0.2038565), wk = 0.0024272 k( 359) = ( 0.5000000 0.2886751 0.1936637), wk = 0.0024272 k( 360) = ( 0.5000000 0.2886751 0.1834709), wk = 0.0024272 k( 361) = ( 0.5000000 0.2886751 0.1732780), wk = 0.0024272 k( 362) = ( 0.5000000 0.2886751 0.1630852), wk = 0.0024272 k( 363) = ( 0.5000000 0.2886751 0.1528924), wk = 0.0024272 k( 364) = ( 0.5000000 0.2886751 0.1426996), wk = 0.0024272 k( 365) = ( 0.5000000 0.2886751 0.1325067), wk = 0.0024272 k( 366) = ( 0.5000000 0.2886751 0.1223139), wk = 0.0024272 k( 367) = ( 0.5000000 0.2886751 0.1121211), wk = 0.0024272 k( 368) = ( 0.5000000 0.2886751 0.1019283), wk = 0.0024272 k( 369) = ( 0.5000000 0.2886751 0.0917354), wk = 0.0024272 k( 370) = ( 0.5000000 0.2886751 0.0815426), wk = 0.0024272 k( 371) = ( 0.5000000 0.2886751 0.0713498), wk = 0.0024272 k( 372) = ( 0.5000000 0.2886751 0.0611570), wk = 0.0024272 k( 373) = ( 0.5000000 0.2886751 0.0509641), wk = 0.0024272 k( 374) = ( 0.5000000 0.2886751 0.0407713), wk = 0.0024272 k( 375) = ( 0.5000000 0.2886751 0.0305785), wk = 0.0024272 k( 376) = ( 0.5000000 0.2886751 0.0203857), wk = 0.0024272 k( 377) = ( 0.5000000 0.2886751 0.0101928), wk = 0.0024272 k( 378) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024272 k( 379) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024272 k( 380) = ( 0.3333333 0.5773503 0.0101928), wk = 0.0024272 k( 381) = ( 0.3333333 0.5773503 0.0203857), wk = 0.0024272 k( 382) = ( 0.3333333 0.5773503 0.0305785), wk = 0.0024272 k( 383) = ( 0.3333333 0.5773503 0.0407713), wk = 0.0024272 k( 384) = ( 0.3333333 0.5773503 0.0509641), wk = 0.0024272 k( 385) = ( 0.3333333 0.5773503 0.0611570), wk = 0.0024272 k( 386) = ( 0.3333333 0.5773503 0.0713498), wk = 0.0024272 k( 387) = ( 0.3333333 0.5773503 0.0815426), wk = 0.0024272 k( 388) = ( 0.3333333 0.5773503 0.0917354), wk = 0.0024272 k( 389) = ( 0.3333333 0.5773503 0.1019283), wk = 0.0024272 k( 390) = ( 0.3333333 0.5773503 0.1121211), wk = 0.0024272 k( 391) = ( 0.3333333 0.5773503 0.1223139), wk = 0.0024272 k( 392) = ( 0.3333333 0.5773503 0.1325067), wk = 0.0024272 k( 393) = ( 0.3333333 0.5773503 0.1426996), wk = 0.0024272 k( 394) = ( 0.3333333 0.5773503 0.1528924), wk = 0.0024272 k( 395) = ( 0.3333333 0.5773503 0.1630852), wk = 0.0024272 k( 396) = ( 0.3333333 0.5773503 0.1732780), wk = 0.0024272 k( 397) = ( 0.3333333 0.5773503 0.1834709), wk = 0.0024272 k( 398) = ( 0.3333333 0.5773503 0.1936637), wk = 0.0024272 k( 399) = ( 0.3333333 0.5773503 0.2038565), wk = 0.0024272 k( 400) = ( 0.3333333 0.5773503 0.2140494), wk = 0.0024272 k( 401) = ( 0.3333333 0.5773503 0.2242422), wk = 0.0024272 k( 402) = ( 0.3333333 0.5773503 0.2344350), wk = 0.0024272 k( 403) = ( 0.3333333 0.5773503 0.2446278), wk = 0.0024272 k( 404) = ( 0.3333333 0.5773503 0.2548207), wk = 0.0024272 k( 405) = ( 0.3333333 0.5773503 0.2650135), wk = 0.0024272 k( 406) = ( 0.3333333 0.5773503 0.2752063), wk = 0.0024272 k( 407) = ( 0.3333333 0.5773503 0.2853991), wk = 0.0024272 k( 408) = ( 0.3333333 0.5773503 0.2955920), wk = 0.0024272 k( 409) = ( 0.3333333 0.5773503 0.3057848), wk = 0.0024272 k( 410) = ( 0.3333333 0.5773503 0.3159776), wk = 0.0024272 k( 411) = ( 0.3333333 0.5773503 0.3261704), wk = 0.0024272 k( 412) = ( 0.3333333 0.5773503 0.3363633), wk = 0.0024272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0089286 0.0000000 0.0000000), wk = 0.0024272 k( 3) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0024272 k( 4) = ( 0.0267857 0.0000000 0.0000000), wk = 0.0024272 k( 5) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0024272 k( 6) = ( 0.0446429 0.0000000 0.0000000), wk = 0.0024272 k( 7) = ( 0.0535714 0.0000000 0.0000000), wk = 0.0024272 k( 8) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0024272 k( 9) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0024272 k( 10) = ( 0.0803571 0.0000000 0.0000000), wk = 0.0024272 k( 11) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0024272 k( 12) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0024272 k( 13) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0024272 k( 14) = ( 0.1160714 0.0000000 0.0000000), wk = 0.0024272 k( 15) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0024272 k( 16) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0024272 k( 17) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0024272 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0024272 k( 19) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0024272 k( 20) = ( 0.1696429 0.0000000 0.0000000), wk = 0.0024272 k( 21) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0024272 k( 22) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0024272 k( 23) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0024272 k( 24) = ( 0.2053571 0.0000000 0.0000000), wk = 0.0024272 k( 25) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0024272 k( 26) = ( 0.2232143 0.0000000 0.0000000), wk = 0.0024272 k( 27) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0024272 k( 28) = ( 0.2410714 0.0000000 0.0000000), wk = 0.0024272 k( 29) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0024272 k( 30) = ( 0.2589286 0.0000000 0.0000000), wk = 0.0024272 k( 31) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0024272 k( 32) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0024272 k( 33) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0024272 k( 34) = ( 0.2946429 0.0000000 0.0000000), wk = 0.0024272 k( 35) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0024272 k( 36) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0024272 k( 37) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0024272 k( 38) = ( 0.3303571 0.0000000 -0.0000000), wk = 0.0024272 k( 39) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0024272 k( 40) = ( 0.3482143 0.0000000 0.0000000), wk = 0.0024272 k( 41) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0024272 k( 42) = ( 0.3660714 0.0000000 0.0000000), wk = 0.0024272 k( 43) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0024272 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0024272 k( 45) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0024272 k( 46) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0024272 k( 47) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0024272 k( 48) = ( 0.4196429 0.0000000 0.0000000), wk = 0.0024272 k( 49) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0024272 k( 50) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0024272 k( 51) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0024272 k( 52) = ( 0.4553571 0.0000000 0.0000000), wk = 0.0024272 k( 53) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0024272 k( 54) = ( 0.4732143 0.0000000 0.0000000), wk = 0.0024272 k( 55) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0024272 k( 56) = ( 0.4910714 0.0000000 0.0000000), wk = 0.0024272 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024272 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024272 k( 59) = ( 0.4947917 0.0104167 0.0000000), wk = 0.0024272 k( 60) = ( 0.4895833 0.0208333 0.0000000), wk = 0.0024272 k( 61) = ( 0.4843750 0.0312500 0.0000000), wk = 0.0024272 k( 62) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0024272 k( 63) = ( 0.4739583 0.0520833 0.0000000), wk = 0.0024272 k( 64) = ( 0.4687500 0.0625000 0.0000000), wk = 0.0024272 k( 65) = ( 0.4635417 0.0729167 0.0000000), wk = 0.0024272 k( 66) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0024272 k( 67) = ( 0.4531250 0.0937500 0.0000000), wk = 0.0024272 k( 68) = ( 0.4479167 0.1041667 0.0000000), wk = 0.0024272 k( 69) = ( 0.4427083 0.1145833 0.0000000), wk = 0.0024272 k( 70) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0024272 k( 71) = ( 0.4322917 0.1354167 0.0000000), wk = 0.0024272 k( 72) = ( 0.4270833 0.1458333 0.0000000), wk = 0.0024272 k( 73) = ( 0.4218750 0.1562500 0.0000000), wk = 0.0024272 k( 74) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0024272 k( 75) = ( 0.4114583 0.1770833 0.0000000), wk = 0.0024272 k( 76) = ( 0.4062500 0.1875000 0.0000000), wk = 0.0024272 k( 77) = ( 0.4010417 0.1979167 0.0000000), wk = 0.0024272 k( 78) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0024272 k( 79) = ( 0.3906250 0.2187500 0.0000000), wk = 0.0024272 k( 80) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0024272 k( 81) = ( 0.3802083 0.2395833 0.0000000), wk = 0.0024272 k( 82) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0024272 k( 83) = ( 0.3697917 0.2604167 0.0000000), wk = 0.0024272 k( 84) = ( 0.3645833 0.2708333 0.0000000), wk = 0.0024272 k( 85) = ( 0.3593750 0.2812500 0.0000000), wk = 0.0024272 k( 86) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0024272 k( 87) = ( 0.3489583 0.3020833 -0.0000000), wk = 0.0024272 k( 88) = ( 0.3437500 0.3125000 0.0000000), wk = 0.0024272 k( 89) = ( 0.3385417 0.3229167 0.0000000), wk = 0.0024272 k( 90) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024272 k( 91) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024272 k( 92) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0024272 k( 93) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0024272 k( 94) = ( 0.3177083 0.3177083 0.0000000), wk = 0.0024272 k( 95) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0024272 k( 96) = ( 0.3072917 0.3072917 0.0000000), wk = 0.0024272 k( 97) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0024272 k( 98) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0024272 k( 99) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0024272 k( 100) = ( 0.2864583 0.2864583 0.0000000), wk = 0.0024272 k( 101) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0024272 k( 102) = ( 0.2760417 0.2760417 0.0000000), wk = 0.0024272 k( 103) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0024272 k( 104) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0024272 k( 105) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0024272 k( 106) = ( 0.2552083 0.2552083 0.0000000), wk = 0.0024272 k( 107) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0024272 k( 108) = ( 0.2447917 0.2447917 0.0000000), wk = 0.0024272 k( 109) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0024272 k( 110) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0024272 k( 111) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0024272 k( 112) = ( 0.2239583 0.2239583 0.0000000), wk = 0.0024272 k( 113) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0024272 k( 114) = ( 0.2135417 0.2135417 0.0000000), wk = 0.0024272 k( 115) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0024272 k( 116) = ( 0.2031250 0.2031250 0.0000000), wk = 0.0024272 k( 117) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0024272 k( 118) = ( 0.1927083 0.1927083 0.0000000), wk = 0.0024272 k( 119) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0024272 k( 120) = ( 0.1822917 0.1822917 0.0000000), wk = 0.0024272 k( 121) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0024272 k( 122) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0024272 k( 123) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024272 k( 124) = ( 0.1614583 0.1614583 0.0000000), wk = 0.0024272 k( 125) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0024272 k( 126) = ( 0.1510417 0.1510417 0.0000000), wk = 0.0024272 k( 127) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0024272 k( 128) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0024272 k( 129) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0024272 k( 130) = ( 0.1302083 0.1302083 0.0000000), wk = 0.0024272 k( 131) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0024272 k( 132) = ( 0.1197917 0.1197917 0.0000000), wk = 0.0024272 k( 133) = ( 0.1145833 0.1145833 0.0000000), wk = 0.0024272 k( 134) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0024272 k( 135) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0024272 k( 136) = ( 0.0989583 0.0989583 0.0000000), wk = 0.0024272 k( 137) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0024272 k( 138) = ( 0.0885417 0.0885417 0.0000000), wk = 0.0024272 k( 139) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0024272 k( 140) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0024272 k( 141) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0024272 k( 142) = ( 0.0677083 0.0677083 0.0000000), wk = 0.0024272 k( 143) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0024272 k( 144) = ( 0.0572917 0.0572917 0.0000000), wk = 0.0024272 k( 145) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0024272 k( 146) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0024272 k( 147) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0024272 k( 148) = ( 0.0364583 0.0364583 0.0000000), wk = 0.0024272 k( 149) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0024272 k( 150) = ( 0.0260417 0.0260417 0.0000000), wk = 0.0024272 k( 151) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0024272 k( 152) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0024272 k( 153) = ( 0.0104167 0.0104167 0.0000000), wk = 0.0024272 k( 154) = ( 0.0052083 0.0052083 0.0000000), wk = 0.0024272 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 157) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0024272 k( 158) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0024272 k( 159) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0024272 k( 160) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0024272 k( 161) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0024272 k( 162) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0024272 k( 163) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0024272 k( 164) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0024272 k( 165) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0024272 k( 166) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0024272 k( 167) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024272 k( 168) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0024272 k( 169) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0024272 k( 170) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0024272 k( 171) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0024272 k( 172) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0024272 k( 173) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0024272 k( 174) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0024272 k( 175) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0024272 k( 176) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0024272 k( 177) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0024272 k( 178) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024272 k( 179) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0024272 k( 180) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0024272 k( 181) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0024272 k( 182) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0024272 k( 183) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0024272 k( 184) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0024272 k( 185) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0024272 k( 186) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0024272 k( 187) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0024272 k( 188) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0024272 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 191) = ( 0.0089286 0.0000000 0.5000000), wk = 0.0024272 k( 192) = ( 0.0178571 0.0000000 0.5000000), wk = 0.0024272 k( 193) = ( 0.0267857 0.0000000 0.5000000), wk = 0.0024272 k( 194) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0024272 k( 195) = ( 0.0446429 0.0000000 0.5000000), wk = 0.0024272 k( 196) = ( 0.0535714 0.0000000 0.5000000), wk = 0.0024272 k( 197) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0024272 k( 198) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0024272 k( 199) = ( 0.0803571 0.0000000 0.5000000), wk = 0.0024272 k( 200) = ( 0.0892857 0.0000000 0.5000000), wk = 0.0024272 k( 201) = ( 0.0982143 0.0000000 0.5000000), wk = 0.0024272 k( 202) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0024272 k( 203) = ( 0.1160714 0.0000000 0.5000000), wk = 0.0024272 k( 204) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0024272 k( 205) = ( 0.1339286 0.0000000 0.5000000), wk = 0.0024272 k( 206) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0024272 k( 207) = ( 0.1517857 0.0000000 0.5000000), wk = 0.0024272 k( 208) = ( 0.1607143 0.0000000 0.5000000), wk = 0.0024272 k( 209) = ( 0.1696429 0.0000000 0.5000000), wk = 0.0024272 k( 210) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0024272 k( 211) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0024272 k( 212) = ( 0.1964286 0.0000000 0.5000000), wk = 0.0024272 k( 213) = ( 0.2053571 0.0000000 0.5000000), wk = 0.0024272 k( 214) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0024272 k( 215) = ( 0.2232143 0.0000000 0.5000000), wk = 0.0024272 k( 216) = ( 0.2321429 0.0000000 0.5000000), wk = 0.0024272 k( 217) = ( 0.2410714 0.0000000 0.5000000), wk = 0.0024272 k( 218) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0024272 k( 219) = ( 0.2589286 0.0000000 0.5000000), wk = 0.0024272 k( 220) = ( 0.2678571 0.0000000 0.5000000), wk = 0.0024272 k( 221) = ( 0.2767857 0.0000000 0.5000000), wk = 0.0024272 k( 222) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0024272 k( 223) = ( 0.2946429 0.0000000 0.5000000), wk = 0.0024272 k( 224) = ( 0.3035714 0.0000000 0.5000000), wk = 0.0024272 k( 225) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0024272 k( 226) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0024272 k( 227) = ( 0.3303571 0.0000000 0.5000000), wk = 0.0024272 k( 228) = ( 0.3392857 0.0000000 0.5000000), wk = 0.0024272 k( 229) = ( 0.3482143 0.0000000 0.5000000), wk = 0.0024272 k( 230) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0024272 k( 231) = ( 0.3660714 0.0000000 0.5000000), wk = 0.0024272 k( 232) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0024272 k( 233) = ( 0.3839286 0.0000000 0.5000000), wk = 0.0024272 k( 234) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0024272 k( 235) = ( 0.4017857 0.0000000 0.5000000), wk = 0.0024272 k( 236) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0024272 k( 237) = ( 0.4196429 0.0000000 0.5000000), wk = 0.0024272 k( 238) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0024272 k( 239) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0024272 k( 240) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0024272 k( 241) = ( 0.4553571 0.0000000 0.5000000), wk = 0.0024272 k( 242) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0024272 k( 243) = ( 0.4732143 0.0000000 0.5000000), wk = 0.0024272 k( 244) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0024272 k( 245) = ( 0.4910714 0.0000000 0.5000000), wk = 0.0024272 k( 246) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 248) = ( 0.4947917 0.0104167 0.5000000), wk = 0.0024272 k( 249) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0024272 k( 250) = ( 0.4843750 0.0312500 0.5000000), wk = 0.0024272 k( 251) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0024272 k( 252) = ( 0.4739583 0.0520833 0.5000000), wk = 0.0024272 k( 253) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0024272 k( 254) = ( 0.4635417 0.0729167 0.5000000), wk = 0.0024272 k( 255) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0024272 k( 256) = ( 0.4531250 0.0937500 0.5000000), wk = 0.0024272 k( 257) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0024272 k( 258) = ( 0.4427083 0.1145833 0.5000000), wk = 0.0024272 k( 259) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0024272 k( 260) = ( 0.4322917 0.1354167 0.5000000), wk = 0.0024272 k( 261) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0024272 k( 262) = ( 0.4218750 0.1562500 0.5000000), wk = 0.0024272 k( 263) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0024272 k( 264) = ( 0.4114583 0.1770833 0.5000000), wk = 0.0024272 k( 265) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0024272 k( 266) = ( 0.4010417 0.1979167 0.5000000), wk = 0.0024272 k( 267) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0024272 k( 268) = ( 0.3906250 0.2187500 0.5000000), wk = 0.0024272 k( 269) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0024272 k( 270) = ( 0.3802083 0.2395833 0.5000000), wk = 0.0024272 k( 271) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0024272 k( 272) = ( 0.3697917 0.2604167 0.5000000), wk = 0.0024272 k( 273) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0024272 k( 274) = ( 0.3593750 0.2812500 0.5000000), wk = 0.0024272 k( 275) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0024272 k( 276) = ( 0.3489583 0.3020833 0.5000000), wk = 0.0024272 k( 277) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0024272 k( 278) = ( 0.3385417 0.3229167 0.5000000), wk = 0.0024272 k( 279) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024272 k( 280) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024272 k( 281) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0024272 k( 282) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0024272 k( 283) = ( 0.3177083 0.3177083 0.5000000), wk = 0.0024272 k( 284) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0024272 k( 285) = ( 0.3072917 0.3072917 0.5000000), wk = 0.0024272 k( 286) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0024272 k( 287) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0024272 k( 288) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0024272 k( 289) = ( 0.2864583 0.2864583 0.5000000), wk = 0.0024272 k( 290) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0024272 k( 291) = ( 0.2760417 0.2760417 0.5000000), wk = 0.0024272 k( 292) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0024272 k( 293) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0024272 k( 294) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0024272 k( 295) = ( 0.2552083 0.2552083 0.5000000), wk = 0.0024272 k( 296) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0024272 k( 297) = ( 0.2447917 0.2447917 0.5000000), wk = 0.0024272 k( 298) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0024272 k( 299) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0024272 k( 300) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0024272 k( 301) = ( 0.2239583 0.2239583 0.5000000), wk = 0.0024272 k( 302) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0024272 k( 303) = ( 0.2135417 0.2135417 0.5000000), wk = 0.0024272 k( 304) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0024272 k( 305) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0024272 k( 306) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0024272 k( 307) = ( 0.1927083 0.1927083 0.5000000), wk = 0.0024272 k( 308) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0024272 k( 309) = ( 0.1822917 0.1822917 0.5000000), wk = 0.0024272 k( 310) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0024272 k( 311) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0024272 k( 312) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0024272 k( 313) = ( 0.1614583 0.1614583 0.5000000), wk = 0.0024272 k( 314) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0024272 k( 315) = ( 0.1510417 0.1510417 0.5000000), wk = 0.0024272 k( 316) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0024272 k( 317) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0024272 k( 318) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0024272 k( 319) = ( 0.1302083 0.1302083 0.5000000), wk = 0.0024272 k( 320) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0024272 k( 321) = ( 0.1197917 0.1197917 0.5000000), wk = 0.0024272 k( 322) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0024272 k( 323) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0024272 k( 324) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0024272 k( 325) = ( 0.0989583 0.0989583 0.5000000), wk = 0.0024272 k( 326) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0024272 k( 327) = ( 0.0885417 0.0885417 0.5000000), wk = 0.0024272 k( 328) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0024272 k( 329) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0024272 k( 330) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0024272 k( 331) = ( 0.0677083 0.0677083 0.5000000), wk = 0.0024272 k( 332) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0024272 k( 333) = ( 0.0572917 0.0572917 0.5000000), wk = 0.0024272 k( 334) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0024272 k( 335) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0024272 k( 336) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0024272 k( 337) = ( 0.0364583 0.0364583 0.5000000), wk = 0.0024272 k( 338) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0024272 k( 339) = ( 0.0260417 0.0260417 0.5000000), wk = 0.0024272 k( 340) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0024272 k( 341) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0024272 k( 342) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0024272 k( 343) = ( 0.0052083 0.0052083 0.5000000), wk = 0.0024272 k( 344) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 345) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 346) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0024272 k( 347) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0024272 k( 348) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0024272 k( 349) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0024272 k( 350) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0024272 k( 351) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0024272 k( 352) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0024272 k( 353) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0024272 k( 354) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0024272 k( 355) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0024272 k( 356) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0024272 k( 357) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0024272 k( 358) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0024272 k( 359) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0024272 k( 360) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0024272 k( 361) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0024272 k( 362) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0024272 k( 363) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0024272 k( 364) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0024272 k( 365) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0024272 k( 366) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0024272 k( 367) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0024272 k( 368) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0024272 k( 369) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0024272 k( 370) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0024272 k( 371) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0024272 k( 372) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0024272 k( 373) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0024272 k( 374) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0024272 k( 375) = ( 0.5000000 0.0000000 0.0454545), wk = 0.0024272 k( 376) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0024272 k( 377) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0024272 k( 378) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024272 k( 379) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024272 k( 380) = ( 0.3333333 0.3333333 0.0151515), wk = 0.0024272 k( 381) = ( 0.3333333 0.3333333 0.0303030), wk = 0.0024272 k( 382) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0024272 k( 383) = ( 0.3333333 0.3333333 0.0606061), wk = 0.0024272 k( 384) = ( 0.3333333 0.3333333 0.0757576), wk = 0.0024272 k( 385) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0024272 k( 386) = ( 0.3333333 0.3333333 0.1060606), wk = 0.0024272 k( 387) = ( 0.3333333 0.3333333 0.1212121), wk = 0.0024272 k( 388) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0024272 k( 389) = ( 0.3333333 0.3333333 0.1515151), wk = 0.0024272 k( 390) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0024272 k( 391) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0024272 k( 392) = ( 0.3333333 0.3333333 0.1969697), wk = 0.0024272 k( 393) = ( 0.3333333 0.3333333 0.2121212), wk = 0.0024272 k( 394) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0024272 k( 395) = ( 0.3333333 0.3333333 0.2424242), wk = 0.0024272 k( 396) = ( 0.3333333 0.3333333 0.2575758), wk = 0.0024272 k( 397) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0024272 k( 398) = ( 0.3333333 0.3333333 0.2878788), wk = 0.0024272 k( 399) = ( 0.3333333 0.3333333 0.3030303), wk = 0.0024272 k( 400) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0024272 k( 401) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0024272 k( 402) = ( 0.3333333 0.3333333 0.3484849), wk = 0.0024272 k( 403) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0024272 k( 404) = ( 0.3333333 0.3333333 0.3787879), wk = 0.0024272 k( 405) = ( 0.3333333 0.3333333 0.3939394), wk = 0.0024272 k( 406) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0024272 k( 407) = ( 0.3333333 0.3333333 0.4242424), wk = 0.0024272 k( 408) = ( 0.3333333 0.3333333 0.4393939), wk = 0.0024272 k( 409) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0024272 k( 410) = ( 0.3333333 0.3333333 0.4696970), wk = 0.0024272 k( 411) = ( 0.3333333 0.3333333 0.4848485), wk = 0.0024272 k( 412) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024272 Dense grid: 39315 G-vectors FFT dimensions: ( 40, 40, 60) Smooth grid: 18717 G-vectors FFT dimensions: ( 32, 32, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 98, 40) NL pseudopotentials 0.04 Mb ( 49, 56) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 819) G-vector shells 0.00 Mb ( 400) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 98, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.07 Mb ( 56, 2, 40) Check: negative/imaginary core charge= -0.000022 0.000000 The potential is recalculated from file : ./MgO.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.4 secs Computing kpt #: 2 total cpu time spent up to now is 40.3 secs Computing kpt #: 3 total cpu time spent up to now is 41.0 secs Computing kpt #: 4 total cpu time spent up to now is 41.6 secs Computing kpt #: 5 total cpu time spent up to now is 42.2 secs Computing kpt #: 6 total cpu time spent up to now is 42.7 secs Computing kpt #: 7 total cpu time spent up to now is 43.3 secs Computing kpt #: 8 total cpu time spent up to now is 43.8 secs Computing kpt #: 9 total cpu time spent up to now is 44.3 secs Computing kpt #: 10 total cpu time spent up to now is 44.8 secs Computing kpt #: 11 total cpu time spent up to now is 45.4 secs Computing kpt #: 12 total cpu time spent up to now is 46.0 secs Computing kpt #: 13 total cpu time spent up to now is 46.9 secs Computing kpt #: 14 total cpu time spent up to now is 47.5 secs Computing kpt #: 15 total cpu time spent up to now is 48.1 secs Computing kpt #: 16 total cpu time spent up to now is 48.8 secs Computing kpt #: 17 total cpu time spent up to now is 49.4 secs Computing kpt #: 18 total cpu time spent up to now is 50.0 secs Computing kpt #: 19 total cpu time spent up to now is 50.6 secs Computing kpt #: 20 total cpu time spent up to now is 51.1 secs Computing kpt #: 21 total cpu time spent up to now is 51.6 secs Computing kpt #: 22 total cpu time spent up to now is 52.1 secs Computing kpt #: 23 total cpu time spent up to now is 52.7 secs Computing kpt #: 24 total cpu time spent up to now is 53.2 secs Computing kpt #: 25 total cpu time spent up to now is 53.8 secs Computing kpt #: 26 total cpu time spent up to now is 54.4 secs Computing kpt #: 27 total cpu time spent up to now is 54.9 secs Computing kpt #: 28 total cpu time spent up to now is 55.5 secs Computing kpt #: 29 total cpu time spent up to now is 56.0 secs Computing kpt #: 30 total cpu time spent up to now is 56.5 secs Computing kpt #: 31 total cpu time spent up to now is 57.0 secs Computing kpt #: 32 total cpu time spent up to now is 57.4 secs Computing kpt #: 33 total cpu time spent up to now is 57.9 secs Computing kpt #: 34 total cpu time spent up to now is 58.5 secs Computing kpt #: 35 total cpu time spent up to now is 59.5 secs Computing kpt #: 36 total cpu time spent up to now is 60.3 secs Computing kpt #: 37 total cpu time spent up to now is 60.9 secs Computing kpt #: 38 total cpu time spent up to now is 61.6 secs Computing kpt #: 39 total cpu time spent up to now is 62.2 secs Computing kpt #: 40 total cpu time spent up to now is 62.7 secs Computing kpt #: 41 total cpu time spent up to now is 63.3 secs Computing kpt #: 42 total cpu time spent up to now is 63.9 secs Computing kpt #: 43 total cpu time spent up to now is 64.4 secs Computing kpt #: 44 total cpu time spent up to now is 65.0 secs Computing kpt #: 45 total cpu time spent up to now is 65.6 secs Computing kpt #: 46 total cpu time spent up to now is 66.3 secs Computing kpt #: 47 total cpu time spent up to now is 66.9 secs Computing kpt #: 48 total cpu time spent up to now is 67.4 secs Computing kpt #: 49 total cpu time spent up to now is 67.9 secs Computing kpt #: 50 total cpu time spent up to now is 68.3 secs Computing kpt #: 51 total cpu time spent up to now is 68.8 secs Computing kpt #: 52 total cpu time spent up to now is 69.3 secs Computing kpt #: 53 total cpu time spent up to now is 69.9 secs Computing kpt #: 54 total cpu time spent up to now is 70.4 secs Computing kpt #: 55 total cpu time spent up to now is 70.8 secs Computing kpt #: 56 total cpu time spent up to now is 71.3 secs Computing kpt #: 57 total cpu time spent up to now is 72.1 secs Computing kpt #: 58 total cpu time spent up to now is 73.2 secs Computing kpt #: 59 total cpu time spent up to now is 74.2 secs Computing kpt #: 60 total cpu time spent up to now is 74.7 secs Computing kpt #: 61 total cpu time spent up to now is 75.4 secs Computing kpt #: 62 total cpu time spent up to now is 76.1 secs Computing kpt #: 63 total cpu time spent up to now is 76.6 secs Computing kpt #: 64 total cpu time spent up to now is 77.3 secs Computing kpt #: 65 total cpu time spent up to now is 78.1 secs Computing kpt #: 66 total cpu time spent up to now is 78.9 secs Computing kpt #: 67 total cpu time spent up to now is 79.7 secs Computing kpt #: 68 total cpu time spent up to now is 80.2 secs Computing kpt #: 69 total cpu time spent up to now is 80.6 secs Computing kpt #: 70 total cpu time spent up to now is 81.4 secs Computing kpt #: 71 total cpu time spent up to now is 81.9 secs Computing kpt #: 72 total cpu time spent up to now is 82.7 secs Computing kpt #: 73 total cpu time spent up to now is 83.5 secs Computing kpt #: 74 total cpu time spent up to now is 84.1 secs Computing kpt #: 75 total cpu time spent up to now is 84.6 secs Computing kpt #: 76 total cpu time spent up to now is 85.2 secs Computing kpt #: 77 total cpu time spent up to now is 85.8 secs Computing kpt #: 78 total cpu time spent up to now is 86.5 secs Computing kpt #: 79 total cpu time spent up to now is 86.9 secs Computing kpt #: 80 total cpu time spent up to now is 87.7 secs Computing kpt #: 81 total cpu time spent up to now is 88.4 secs Computing kpt #: 82 total cpu time spent up to now is 89.0 secs Computing kpt #: 83 total cpu time spent up to now is 89.5 secs Computing kpt #: 84 total cpu time spent up to now is 90.0 secs Computing kpt #: 85 total cpu time spent up to now is 90.5 secs Computing kpt #: 86 total cpu time spent up to now is 91.0 secs Computing kpt #: 87 total cpu time spent up to now is 91.5 secs Computing kpt #: 88 total cpu time spent up to now is 91.9 secs Computing kpt #: 89 total cpu time spent up to now is 92.4 secs Computing kpt #: 90 total cpu time spent up to now is 92.9 secs Computing kpt #: 91 total cpu time spent up to now is 93.4 secs Computing kpt #: 92 total cpu time spent up to now is 93.8 secs Computing kpt #: 93 total cpu time spent up to now is 94.3 secs Computing kpt #: 94 total cpu time spent up to now is 94.7 secs Computing kpt #: 95 total cpu time spent up to now is 95.2 secs Computing kpt #: 96 total cpu time spent up to now is 95.6 secs Computing kpt #: 97 total cpu time spent up to now is 96.1 secs Computing kpt #: 98 total cpu time spent up to now is 96.7 secs Computing kpt #: 99 total cpu time spent up to now is 97.3 secs Computing kpt #: 100 total cpu time spent up to now is 97.8 secs Computing kpt #: 101 total cpu time spent up to now is 98.4 secs Computing kpt #: 102 total cpu time spent up to now is 98.9 secs Computing kpt #: 103 total cpu time spent up to now is 99.4 secs Computing kpt #: 104 total cpu time spent up to now is 100.2 secs Computing kpt #: 105 total cpu time spent up to now is 100.7 secs Computing kpt #: 106 total cpu time spent up to now is 101.1 secs Computing kpt #: 107 total cpu time spent up to now is 101.6 secs Computing kpt #: 108 total cpu time spent up to now is 102.1 secs Computing kpt #: 109 total cpu time spent up to now is 102.6 secs Computing kpt #: 110 total cpu time spent up to now is 103.1 secs Computing kpt #: 111 total cpu time spent up to now is 103.7 secs Computing kpt #: 112 total cpu time spent up to now is 104.2 secs Computing kpt #: 113 total cpu time spent up to now is 104.8 secs Computing kpt #: 114 total cpu time spent up to now is 105.5 secs Computing kpt #: 115 total cpu time spent up to now is 106.4 secs Computing kpt #: 116 total cpu time spent up to now is 107.2 secs Computing kpt #: 117 total cpu time spent up to now is 107.9 secs Computing kpt #: 118 total cpu time spent up to now is 108.5 secs Computing kpt #: 119 total cpu time spent up to now is 109.1 secs Computing kpt #: 120 total cpu time spent up to now is 109.7 secs Computing kpt #: 121 total cpu time spent up to now is 110.2 secs Computing kpt #: 122 total cpu time spent up to now is 110.9 secs Computing kpt #: 123 total cpu time spent up to now is 111.5 secs Computing kpt #: 124 total cpu time spent up to now is 112.1 secs Computing kpt #: 125 total cpu time spent up to now is 112.6 secs Computing kpt #: 126 total cpu time spent up to now is 113.1 secs Computing kpt #: 127 total cpu time spent up to now is 113.7 secs Computing kpt #: 128 total cpu time spent up to now is 114.2 secs Computing kpt #: 129 total cpu time spent up to now is 114.7 secs Computing kpt #: 130 total cpu time spent up to now is 115.2 secs Computing kpt #: 131 total cpu time spent up to now is 116.1 secs Computing kpt #: 132 total cpu time spent up to now is 116.9 secs Computing kpt #: 133 total cpu time spent up to now is 117.8 secs Computing kpt #: 134 total cpu time spent up to now is 118.9 secs Computing kpt #: 135 total cpu time spent up to now is 120.0 secs Computing kpt #: 136 total cpu time spent up to now is 120.7 secs Computing kpt #: 137 total cpu time spent up to now is 121.3 secs Computing kpt #: 138 total cpu time spent up to now is 121.8 secs Computing kpt #: 139 total cpu time spent up to now is 122.3 secs Computing kpt #: 140 total cpu time spent up to now is 122.8 secs Computing kpt #: 141 total cpu time spent up to now is 123.4 secs Computing kpt #: 142 total cpu time spent up to now is 123.9 secs Computing kpt #: 143 total cpu time spent up to now is 124.4 secs Computing kpt #: 144 total cpu time spent up to now is 125.0 secs Computing kpt #: 145 total cpu time spent up to now is 125.6 secs Computing kpt #: 146 total cpu time spent up to now is 126.2 secs Computing kpt #: 147 total cpu time spent up to now is 127.0 secs Computing kpt #: 148 total cpu time spent up to now is 128.0 secs Computing kpt #: 149 total cpu time spent up to now is 128.6 secs Computing kpt #: 150 total cpu time spent up to now is 129.4 secs Computing kpt #: 151 total cpu time spent up to now is 130.1 secs Computing kpt #: 152 total cpu time spent up to now is 130.8 secs Computing kpt #: 153 total cpu time spent up to now is 131.7 secs Computing kpt #: 154 total cpu time spent up to now is 132.4 secs Computing kpt #: 155 total cpu time spent up to now is 133.1 secs Computing kpt #: 156 total cpu time spent up to now is 133.7 secs Computing kpt #: 157 total cpu time spent up to now is 134.4 secs Computing kpt #: 158 total cpu time spent up to now is 135.0 secs Computing kpt #: 159 total cpu time spent up to now is 135.7 secs Computing kpt #: 160 total cpu time spent up to now is 136.4 secs Computing kpt #: 161 total cpu time spent up to now is 137.0 secs Computing kpt #: 162 total cpu time spent up to now is 137.7 secs Computing kpt #: 163 total cpu time spent up to now is 138.3 secs Computing kpt #: 164 total cpu time spent up to now is 139.0 secs Computing kpt #: 165 total cpu time spent up to now is 139.6 secs Computing kpt #: 166 total cpu time spent up to now is 140.2 secs Computing kpt #: 167 total cpu time spent up to now is 140.9 secs Computing kpt #: 168 total cpu time spent up to now is 141.6 secs Computing kpt #: 169 total cpu time spent up to now is 142.4 secs Computing kpt #: 170 total cpu time spent up to now is 143.3 secs Computing kpt #: 171 total cpu time spent up to now is 144.2 secs Computing kpt #: 172 total cpu time spent up to now is 144.9 secs Computing kpt #: 173 total cpu time spent up to now is 145.8 secs Computing kpt #: 174 total cpu time spent up to now is 146.5 secs Computing kpt #: 175 total cpu time spent up to now is 147.2 secs Computing kpt #: 176 total cpu time spent up to now is 147.9 secs Computing kpt #: 177 total cpu time spent up to now is 148.6 secs Computing kpt #: 178 total cpu time spent up to now is 149.4 secs Computing kpt #: 179 total cpu time spent up to now is 150.2 secs Computing kpt #: 180 total cpu time spent up to now is 151.1 secs Computing kpt #: 181 total cpu time spent up to now is 152.2 secs Computing kpt #: 182 total cpu time spent up to now is 153.1 secs Computing kpt #: 183 total cpu time spent up to now is 154.3 secs Computing kpt #: 184 total cpu time spent up to now is 155.1 secs Computing kpt #: 185 total cpu time spent up to now is 155.8 secs Computing kpt #: 186 total cpu time spent up to now is 156.6 secs Computing kpt #: 187 total cpu time spent up to now is 157.4 secs Computing kpt #: 188 total cpu time spent up to now is 157.9 secs Computing kpt #: 189 total cpu time spent up to now is 158.4 secs Computing kpt #: 190 total cpu time spent up to now is 158.9 secs Computing kpt #: 191 total cpu time spent up to now is 159.5 secs Computing kpt #: 192 total cpu time spent up to now is 160.0 secs Computing kpt #: 193 total cpu time spent up to now is 160.6 secs Computing kpt #: 194 total cpu time spent up to now is 161.1 secs Computing kpt #: 195 total cpu time spent up to now is 161.7 secs Computing kpt #: 196 total cpu time spent up to now is 162.3 secs Computing kpt #: 197 total cpu time spent up to now is 163.1 secs Computing kpt #: 198 total cpu time spent up to now is 163.6 secs Computing kpt #: 199 total cpu time spent up to now is 164.2 secs Computing kpt #: 200 total cpu time spent up to now is 164.7 secs Computing kpt #: 201 total cpu time spent up to now is 165.2 secs Computing kpt #: 202 total cpu time spent up to now is 165.8 secs Computing kpt #: 203 total cpu time spent up to now is 166.3 secs Computing kpt #: 204 total cpu time spent up to now is 166.8 secs Computing kpt #: 205 total cpu time spent up to now is 167.3 secs Computing kpt #: 206 total cpu time spent up to now is 167.9 secs Computing kpt #: 207 total cpu time spent up to now is 168.4 secs Computing kpt #: 208 total cpu time spent up to now is 168.9 secs Computing kpt #: 209 total cpu time spent up to now is 169.4 secs Computing kpt #: 210 total cpu time spent up to now is 169.9 secs Computing kpt #: 211 total cpu time spent up to now is 170.4 secs Computing kpt #: 212 total cpu time spent up to now is 171.0 secs Computing kpt #: 213 total cpu time spent up to now is 171.5 secs Computing kpt #: 214 total cpu time spent up to now is 172.2 secs Computing kpt #: 215 total cpu time spent up to now is 172.8 secs Computing kpt #: 216 total cpu time spent up to now is 173.4 secs Computing kpt #: 217 total cpu time spent up to now is 173.9 secs Computing kpt #: 218 total cpu time spent up to now is 174.5 secs Computing kpt #: 219 total cpu time spent up to now is 175.0 secs Computing kpt #: 220 total cpu time spent up to now is 175.5 secs Computing kpt #: 221 total cpu time spent up to now is 176.0 secs Computing kpt #: 222 total cpu time spent up to now is 176.6 secs Computing kpt #: 223 total cpu time spent up to now is 177.1 secs Computing kpt #: 224 total cpu time spent up to now is 177.6 secs Computing kpt #: 225 total cpu time spent up to now is 178.2 secs Computing kpt #: 226 total cpu time spent up to now is 178.7 secs Computing kpt #: 227 total cpu time spent up to now is 179.2 secs Computing kpt #: 228 total cpu time spent up to now is 179.8 secs Computing kpt #: 229 total cpu time spent up to now is 180.3 secs Computing kpt #: 230 total cpu time spent up to now is 180.8 secs Computing kpt #: 231 total cpu time spent up to now is 181.4 secs Computing kpt #: 232 total cpu time spent up to now is 181.9 secs Computing kpt #: 233 total cpu time spent up to now is 182.4 secs Computing kpt #: 234 total cpu time spent up to now is 182.9 secs Computing kpt #: 235 total cpu time spent up to now is 183.5 secs Computing kpt #: 236 total cpu time spent up to now is 184.1 secs Computing kpt #: 237 total cpu time spent up to now is 184.6 secs Computing kpt #: 238 total cpu time spent up to now is 185.1 secs Computing kpt #: 239 total cpu time spent up to now is 185.7 secs Computing kpt #: 240 total cpu time spent up to now is 186.2 secs Computing kpt #: 241 total cpu time spent up to now is 186.6 secs Computing kpt #: 242 total cpu time spent up to now is 187.1 secs Computing kpt #: 243 total cpu time spent up to now is 187.6 secs Computing kpt #: 244 total cpu time spent up to now is 188.2 secs Computing kpt #: 245 total cpu time spent up to now is 188.7 secs Computing kpt #: 246 total cpu time spent up to now is 189.2 secs Computing kpt #: 247 total cpu time spent up to now is 189.6 secs Computing kpt #: 248 total cpu time spent up to now is 190.5 secs Computing kpt #: 249 total cpu time spent up to now is 190.9 secs Computing kpt #: 250 total cpu time spent up to now is 191.4 secs Computing kpt #: 251 total cpu time spent up to now is 191.9 secs Computing kpt #: 252 total cpu time spent up to now is 192.4 secs Computing kpt #: 253 total cpu time spent up to now is 192.9 secs Computing kpt #: 254 total cpu time spent up to now is 193.4 secs Computing kpt #: 255 total cpu time spent up to now is 193.8 secs Computing kpt #: 256 total cpu time spent up to now is 194.3 secs Computing kpt #: 257 total cpu time spent up to now is 194.8 secs Computing kpt #: 258 total cpu time spent up to now is 195.3 secs Computing kpt #: 259 total cpu time spent up to now is 195.8 secs Computing kpt #: 260 total cpu time spent up to now is 196.4 secs Computing kpt #: 261 total cpu time spent up to now is 196.9 secs Computing kpt #: 262 total cpu time spent up to now is 197.4 secs Computing kpt #: 263 total cpu time spent up to now is 198.1 secs Computing kpt #: 264 total cpu time spent up to now is 198.6 secs Computing kpt #: 265 total cpu time spent up to now is 199.2 secs Computing kpt #: 266 total cpu time spent up to now is 199.7 secs Computing kpt #: 267 total cpu time spent up to now is 200.2 secs Computing kpt #: 268 total cpu time spent up to now is 200.6 secs Computing kpt #: 269 total cpu time spent up to now is 201.1 secs Computing kpt #: 270 total cpu time spent up to now is 201.5 secs Computing kpt #: 271 total cpu time spent up to now is 202.0 secs Computing kpt #: 272 total cpu time spent up to now is 202.5 secs Computing kpt #: 273 total cpu time spent up to now is 203.1 secs Computing kpt #: 274 total cpu time spent up to now is 203.6 secs Computing kpt #: 275 total cpu time spent up to now is 204.1 secs Computing kpt #: 276 total cpu time spent up to now is 204.6 secs Computing kpt #: 277 total cpu time spent up to now is 205.0 secs Computing kpt #: 278 total cpu time spent up to now is 205.5 secs Computing kpt #: 279 total cpu time spent up to now is 206.0 secs Computing kpt #: 280 total cpu time spent up to now is 207.0 secs Computing kpt #: 281 total cpu time spent up to now is 207.7 secs Computing kpt #: 282 total cpu time spent up to now is 208.3 secs Computing kpt #: 283 total cpu time spent up to now is 208.9 secs Computing kpt #: 284 total cpu time spent up to now is 209.4 secs Computing kpt #: 285 total cpu time spent up to now is 209.9 secs Computing kpt #: 286 total cpu time spent up to now is 210.4 secs Computing kpt #: 287 total cpu time spent up to now is 210.9 secs Computing kpt #: 288 total cpu time spent up to now is 211.3 secs Computing kpt #: 289 total cpu time spent up to now is 211.8 secs Computing kpt #: 290 total cpu time spent up to now is 212.2 secs Computing kpt #: 291 total cpu time spent up to now is 212.7 secs Computing kpt #: 292 total cpu time spent up to now is 213.2 secs Computing kpt #: 293 total cpu time spent up to now is 214.0 secs Computing kpt #: 294 total cpu time spent up to now is 214.5 secs Computing kpt #: 295 total cpu time spent up to now is 215.0 secs Computing kpt #: 296 total cpu time spent up to now is 215.5 secs Computing kpt #: 297 total cpu time spent up to now is 216.0 secs Computing kpt #: 298 total cpu time spent up to now is 216.5 secs Computing kpt #: 299 total cpu time spent up to now is 217.0 secs Computing kpt #: 300 total cpu time spent up to now is 217.5 secs Computing kpt #: 301 total cpu time spent up to now is 218.0 secs Computing kpt #: 302 total cpu time spent up to now is 218.5 secs Computing kpt #: 303 total cpu time spent up to now is 219.0 secs Computing kpt #: 304 total cpu time spent up to now is 219.7 secs Computing kpt #: 305 total cpu time spent up to now is 220.2 secs Computing kpt #: 306 total cpu time spent up to now is 220.7 secs Computing kpt #: 307 total cpu time spent up to now is 221.2 secs Computing kpt #: 308 total cpu time spent up to now is 221.7 secs Computing kpt #: 309 total cpu time spent up to now is 222.2 secs Computing kpt #: 310 total cpu time spent up to now is 222.7 secs Computing kpt #: 311 total cpu time spent up to now is 223.3 secs Computing kpt #: 312 total cpu time spent up to now is 223.8 secs Computing kpt #: 313 total cpu time spent up to now is 224.4 secs Computing kpt #: 314 total cpu time spent up to now is 224.9 secs Computing kpt #: 315 total cpu time spent up to now is 225.4 secs Computing kpt #: 316 total cpu time spent up to now is 226.0 secs Computing kpt #: 317 total cpu time spent up to now is 226.5 secs Computing kpt #: 318 total cpu time spent up to now is 227.1 secs Computing kpt #: 319 total cpu time spent up to now is 227.6 secs Computing kpt #: 320 total cpu time spent up to now is 228.3 secs Computing kpt #: 321 total cpu time spent up to now is 228.9 secs Computing kpt #: 322 total cpu time spent up to now is 229.8 secs Computing kpt #: 323 total cpu time spent up to now is 230.6 secs Computing kpt #: 324 total cpu time spent up to now is 231.2 secs Computing kpt #: 325 total cpu time spent up to now is 231.8 secs Computing kpt #: 326 total cpu time spent up to now is 232.4 secs Computing kpt #: 327 total cpu time spent up to now is 232.9 secs Computing kpt #: 328 total cpu time spent up to now is 233.5 secs Computing kpt #: 329 total cpu time spent up to now is 234.1 secs Computing kpt #: 330 total cpu time spent up to now is 234.7 secs Computing kpt #: 331 total cpu time spent up to now is 235.4 secs Computing kpt #: 332 total cpu time spent up to now is 235.9 secs Computing kpt #: 333 total cpu time spent up to now is 236.5 secs Computing kpt #: 334 total cpu time spent up to now is 237.0 secs Computing kpt #: 335 total cpu time spent up to now is 237.6 secs Computing kpt #: 336 total cpu time spent up to now is 238.1 secs Computing kpt #: 337 total cpu time spent up to now is 238.7 secs Computing kpt #: 338 total cpu time spent up to now is 239.3 secs Computing kpt #: 339 total cpu time spent up to now is 239.8 secs Computing kpt #: 340 total cpu time spent up to now is 240.4 secs Computing kpt #: 341 total cpu time spent up to now is 241.0 secs Computing kpt #: 342 total cpu time spent up to now is 241.5 secs Computing kpt #: 343 total cpu time spent up to now is 242.0 secs Computing kpt #: 344 total cpu time spent up to now is 242.5 secs Computing kpt #: 345 total cpu time spent up to now is 243.0 secs Computing kpt #: 346 total cpu time spent up to now is 243.4 secs Computing kpt #: 347 total cpu time spent up to now is 243.9 secs Computing kpt #: 348 total cpu time spent up to now is 244.3 secs Computing kpt #: 349 total cpu time spent up to now is 244.8 secs Computing kpt #: 350 total cpu time spent up to now is 245.3 secs Computing kpt #: 351 total cpu time spent up to now is 245.9 secs Computing kpt #: 352 total cpu time spent up to now is 246.5 secs Computing kpt #: 353 total cpu time spent up to now is 247.7 secs Computing kpt #: 354 total cpu time spent up to now is 248.1 secs Computing kpt #: 355 total cpu time spent up to now is 248.6 secs Computing kpt #: 356 total cpu time spent up to now is 249.1 secs Computing kpt #: 357 total cpu time spent up to now is 249.7 secs Computing kpt #: 358 total cpu time spent up to now is 250.2 secs Computing kpt #: 359 total cpu time spent up to now is 250.7 secs Computing kpt #: 360 total cpu time spent up to now is 251.2 secs Computing kpt #: 361 total cpu time spent up to now is 251.7 secs Computing kpt #: 362 total cpu time spent up to now is 252.2 secs Computing kpt #: 363 total cpu time spent up to now is 252.7 secs Computing kpt #: 364 total cpu time spent up to now is 253.2 secs Computing kpt #: 365 total cpu time spent up to now is 253.6 secs Computing kpt #: 366 total cpu time spent up to now is 254.1 secs Computing kpt #: 367 total cpu time spent up to now is 254.6 secs Computing kpt #: 368 total cpu time spent up to now is 255.0 secs Computing kpt #: 369 total cpu time spent up to now is 255.5 secs Computing kpt #: 370 total cpu time spent up to now is 255.9 secs Computing kpt #: 371 total cpu time spent up to now is 256.4 secs Computing kpt #: 372 total cpu time spent up to now is 256.9 secs Computing kpt #: 373 total cpu time spent up to now is 257.3 secs Computing kpt #: 374 total cpu time spent up to now is 257.9 secs Computing kpt #: 375 total cpu time spent up to now is 258.4 secs Computing kpt #: 376 total cpu time spent up to now is 258.9 secs Computing kpt #: 377 total cpu time spent up to now is 259.3 secs Computing kpt #: 378 total cpu time spent up to now is 259.9 secs Computing kpt #: 379 total cpu time spent up to now is 260.4 secs Computing kpt #: 380 total cpu time spent up to now is 261.2 secs Computing kpt #: 381 total cpu time spent up to now is 261.7 secs Computing kpt #: 382 total cpu time spent up to now is 262.2 secs Computing kpt #: 383 total cpu time spent up to now is 262.7 secs Computing kpt #: 384 total cpu time spent up to now is 263.1 secs Computing kpt #: 385 total cpu time spent up to now is 263.5 secs Computing kpt #: 386 total cpu time spent up to now is 264.0 secs Computing kpt #: 387 total cpu time spent up to now is 264.4 secs Computing kpt #: 388 total cpu time spent up to now is 264.9 secs Computing kpt #: 389 total cpu time spent up to now is 265.3 secs Computing kpt #: 390 total cpu time spent up to now is 265.8 secs Computing kpt #: 391 total cpu time spent up to now is 266.2 secs Computing kpt #: 392 total cpu time spent up to now is 266.7 secs Computing kpt #: 393 total cpu time spent up to now is 267.1 secs Computing kpt #: 394 total cpu time spent up to now is 267.8 secs Computing kpt #: 395 total cpu time spent up to now is 269.1 secs Computing kpt #: 396 total cpu time spent up to now is 270.1 secs Computing kpt #: 397 total cpu time spent up to now is 270.6 secs Computing kpt #: 398 total cpu time spent up to now is 271.0 secs Computing kpt #: 399 total cpu time spent up to now is 271.5 secs Computing kpt #: 400 total cpu time spent up to now is 272.0 secs Computing kpt #: 401 total cpu time spent up to now is 272.4 secs Computing kpt #: 402 total cpu time spent up to now is 272.9 secs Computing kpt #: 403 total cpu time spent up to now is 273.4 secs Computing kpt #: 404 total cpu time spent up to now is 273.9 secs Computing kpt #: 405 total cpu time spent up to now is 274.3 secs Computing kpt #: 406 total cpu time spent up to now is 274.8 secs Computing kpt #: 407 total cpu time spent up to now is 275.2 secs Computing kpt #: 408 total cpu time spent up to now is 275.7 secs Computing kpt #: 409 total cpu time spent up to now is 276.1 secs Computing kpt #: 410 total cpu time spent up to now is 276.5 secs Computing kpt #: 411 total cpu time spent up to now is 276.9 secs Computing kpt #: 412 total cpu time spent up to now is 277.4 secs ethr = 3.13E-11, avg # of iterations = 20.0 total cpu time spent up to now is 277.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2357 PWs) bands (ev): -66.5363 -66.5363 -66.5306 -66.5306 -33.4958 -33.4958 -33.4668 -33.4668 -33.2238 -33.2238 -33.1857 -33.1857 -33.1840 -33.1840 -33.1747 -33.1747 -11.2143 -11.2143 -10.2999 -10.2999 1.8105 1.8105 4.3230 4.3230 4.3462 4.3462 4.6920 4.6920 4.7149 4.7149 5.2292 5.2292 8.8749 8.8749 14.0428 14.0428 15.9406 15.9406 19.4814 19.4814 k = 0.0089 0.0052-0.0000 ( 2351 PWs) bands (ev): -66.5363 -66.5363 -66.5306 -66.5306 -33.4959 -33.4956 -33.4669 -33.4668 -33.2239 -33.2236 -33.1857 -33.1857 -33.1840 -33.1840 -33.1747 -33.1747 -11.2139 -11.2139 -10.2998 -10.2997 1.8113 1.8114 4.3218 4.3220 4.3451 4.3451 4.6904 4.6907 4.7135 4.7135 5.2288 5.2291 8.8791 8.8791 14.0450 14.0454 15.9396 15.9400 19.4695 19.4700 k = 0.0179 0.0103-0.0000 ( 2353 PWs) bands (ev): -66.5363 -66.5363 -66.5306 -66.5306 -33.4961 -33.4955 -33.4669 -33.4668 -33.2241 -33.2235 -33.1858 -33.1858 -33.1841 -33.1839 -33.1747 -33.1747 -11.2125 -11.2125 -10.2994 -10.2992 1.8136 1.8137 4.3178 4.3182 4.3415 4.3416 4.6844 4.6851 4.7106 4.7107 5.2277 5.2283 8.8916 8.8916 14.0519 14.0528 15.9369 15.9376 19.4241 19.4249 k = 0.0268 0.0155-0.0000 ( 2357 PWs) bands (ev): -66.5363 -66.5363 -66.5306 -66.5306 -33.4963 -33.4954 -33.4670 -33.4668 -33.2243 -33.2233 -33.1859 -33.1859 -33.1841 -33.1839 -33.1748 -33.1748 -11.2103 -11.2102 -10.2987 -10.2984 1.8175 1.8177 4.3106 4.3111 4.3363 4.3363 4.6721 4.6731 4.7085 4.7086 5.2261 5.2270 8.9123 8.9123 14.0636 14.0649 15.9325 15.9336 19.3512 19.3523 k = 0.0357 0.0206-0.0000 ( 2353 PWs) bands (ev): -66.5362 -66.5362 -66.5306 -66.5306 -33.4964 -33.4952 -33.4671 -33.4669 -33.2244 -33.2232 -33.1860 -33.1860 -33.1842 -33.1839 -33.1749 -33.1749 -11.2071 -11.2071 -10.2977 -10.2974 1.8229 1.8232 4.2994 4.3002 4.3300 4.3301 4.6533 4.6546 4.7077 4.7079 5.2239 5.2250 8.9409 8.9409 14.0798 14.0816 15.9265 15.9279 19.2572 19.2586 k = 0.0446 0.0258-0.0000 ( 2357 PWs) bands (ev): -66.5362 -66.5362 -66.5306 -66.5306 -33.4966 -33.4951 -33.4673 -33.4670 -33.2246 -33.2230 -33.1862 -33.1862 -33.1843 -33.1839 -33.1751 -33.1751 -11.2031 -11.2030 -10.2964 -10.2960 1.8300 1.8303 4.2840 4.2849 4.3231 4.3232 4.6286 4.6301 4.7079 4.7081 5.2210 5.2224 8.9771 8.9771 14.1006 14.1028 15.9188 15.9206 19.1471 19.1488 k = 0.0536 0.0309-0.0000 ( 2357 PWs) bands (ev): -66.5362 -66.5362 -66.5306 -66.5306 -33.4968 -33.4950 -33.4675 -33.4670 -33.2247 -33.2229 -33.1864 -33.1864 -33.1844 -33.1839 -33.1753 -33.1753 -11.1981 -11.1981 -10.2949 -10.2944 1.8385 1.8390 4.2641 4.2652 4.3156 4.3158 4.5991 4.6007 4.7086 4.7088 5.2175 5.2191 9.0206 9.0206 14.1257 14.1284 15.9096 15.9117 19.0256 19.0275 k = 0.0625 0.0361-0.0000 ( 2351 PWs) bands (ev): -66.5362 -66.5362 -66.5306 -66.5306 -33.4969 -33.4948 -33.4677 -33.4672 -33.2249 -33.2227 -33.1866 -33.1866 -33.1845 -33.1840 -33.1755 -33.1755 -11.1923 -11.1923 -10.2930 -10.2924 1.8487 1.8492 4.2400 4.2412 4.3076 4.3077 4.5654 4.5671 4.7097 4.7098 5.2133 5.2151 9.0710 9.0710 14.1550 14.1581 15.8988 15.9013 18.8959 18.8980 k = 0.0714 0.0412-0.0000 ( 2359 PWs) bands (ev): -66.5361 -66.5361 -66.5306 -66.5306 -33.4971 -33.4948 -33.4679 -33.4674 -33.2250 -33.2225 -33.1869 -33.1868 -33.1846 -33.1840 -33.1758 -33.1757 -11.1857 -11.1856 -10.2909 -10.2902 1.8603 1.8609 4.2116 4.2128 4.2987 4.2988 4.5282 4.5301 4.7108 4.7109 5.2086 5.2105 9.1278 9.1278 14.1882 14.1917 15.8866 15.8894 18.7607 18.7630 k = 0.0804 0.0464-0.0000 ( 2359 PWs) bands (ev): -66.5361 -66.5361 -66.5306 -66.5306 -33.4973 -33.4946 -33.4682 -33.4675 -33.2252 -33.2224 -33.1872 -33.1871 -33.1848 -33.1841 -33.1760 -33.1760 -11.1782 -11.1781 -10.2886 -10.2878 1.8736 1.8742 4.1789 4.1802 4.2892 4.2892 4.4883 4.4902 4.7121 4.7122 5.2031 5.2051 9.1906 9.1906 14.2251 14.2291 15.8729 15.8761 18.6222 18.6245 k = 0.0893 0.0515-0.0000 ( 2355 PWs) bands (ev): -66.5360 -66.5360 -66.5306 -66.5306 -33.4974 -33.4945 -33.4685 -33.4678 -33.2253 -33.2222 -33.1874 -33.1873 -33.1850 -33.1842 -33.1763 -33.1763 -11.1699 -11.1698 -10.2860 -10.2851 1.8883 1.8890 4.1419 4.1434 4.2789 4.2789 4.4463 4.4483 4.7134 4.7135 5.1970 5.1991 9.2588 9.2588 14.2653 14.2697 15.8580 15.8615 18.4817 18.4842 k = 0.0982 0.0567-0.0000 ( 2351 PWs) bands (ev): -66.5360 -66.5360 -66.5306 -66.5306 -33.4976 -33.4944 -33.4688 -33.4680 -33.2254 -33.2220 -33.1878 -33.1876 -33.1852 -33.1843 -33.1766 -33.1765 -11.1607 -11.1606 -10.2832 -10.2822 1.9045 1.9053 4.1006 4.1022 4.2679 4.2679 4.4029 4.4050 4.7147 4.7148 5.1902 5.1924 9.3320 9.3321 14.3085 14.3133 15.8419 15.8457 18.3405 18.3432 k = 0.1071 0.0619-0.0000 ( 2351 PWs) bands (ev): -66.5359 -66.5359 -66.5305 -66.5305 -33.4978 -33.4943 -33.4691 -33.4682 -33.2255 -33.2218 -33.1881 -33.1879 -33.1855 -33.1845 -33.1770 -33.1769 -11.1508 -11.1507 -10.2801 -10.2791 1.9222 1.9231 4.0550 4.0567 4.2562 4.2563 4.3586 4.3607 4.7159 4.7160 5.1828 5.1850 9.4098 9.4099 14.3542 14.3595 15.8247 15.8289 18.1997 18.2025 k = 0.1161 0.0670-0.0000 ( 2351 PWs) bands (ev): -66.5359 -66.5359 -66.5305 -66.5305 -33.4979 -33.4942 -33.4695 -33.4685 -33.2256 -33.2216 -33.1885 -33.1883 -33.1858 -33.1847 -33.1774 -33.1772 -11.1401 -11.1399 -10.2769 -10.2758 1.9414 1.9423 4.0053 4.0071 4.2438 4.2439 4.3140 4.3161 4.7170 4.7171 5.1746 5.1769 9.4917 9.4918 14.4019 14.4077 15.8067 15.8111 18.0600 18.0630 k = 0.1250 0.0722-0.0000 ( 2361 PWs) bands (ev): -66.5358 -66.5358 -66.5305 -66.5305 -33.4981 -33.4941 -33.4699 -33.4688 -33.2257 -33.2215 -33.1889 -33.1887 -33.1861 -33.1849 -33.1778 -33.1776 -11.1286 -11.1285 -10.2735 -10.2723 1.9620 1.9629 3.9518 3.9536 4.2302 4.2305 4.2698 4.2716 4.7179 4.7180 5.1656 5.1680 9.5773 9.5774 14.4511 14.4573 15.7879 15.7927 17.9222 17.9252 k = 0.1339 0.0773-0.0000 ( 2359 PWs) bands (ev): -66.5358 -66.5358 -66.5305 -66.5305 -33.4983 -33.4940 -33.4703 -33.4691 -33.2259 -33.2213 -33.1893 -33.1890 -33.1865 -33.1851 -33.1782 -33.1779 -11.1164 -11.1163 -10.2699 -10.2687 1.9840 1.9849 3.8949 3.8967 4.2117 4.2132 4.2300 4.2307 4.7187 4.7188 5.1560 5.1584 9.6663 9.6664 14.5011 14.5077 15.7688 15.7737 17.7871 17.7903 k = 0.1429 0.0825-0.0000 ( 2357 PWs) bands (ev): -66.5357 -66.5357 -66.5305 -66.5305 -33.4984 -33.4940 -33.4707 -33.4695 -33.2260 -33.2211 -33.1898 -33.1894 -33.1868 -33.1854 -33.1786 -33.1782 -11.1035 -11.1033 -10.2662 -10.2649 2.0073 2.0083 3.8349 3.8368 4.1746 4.1773 4.2082 4.2084 4.7193 4.7194 5.1457 5.1481 9.7581 9.7583 14.5511 14.5581 15.7494 15.7545 17.6552 17.6586 k = 0.1518 0.0876-0.0000 ( 2357 PWs) bands (ev): -66.5356 -66.5356 -66.5305 -66.5305 -33.4986 -33.4939 -33.4711 -33.4698 -33.2260 -33.2209 -33.1902 -33.1898 -33.1872 -33.1856 -33.1790 -33.1786 -11.0899 -11.0898 -10.2624 -10.2610 2.0321 2.0331 3.7724 3.7743 4.1308 4.1335 4.1931 4.1934 4.7197 4.7198 5.1346 5.1371 9.8525 9.8527 14.6003 14.6076 15.7302 15.7354 17.5273 17.5309 k = 0.1607 0.0928-0.0000 ( 2361 PWs) bands (ev): -66.5356 -66.5356 -66.5305 -66.5305 -33.4987 -33.4938 -33.4716 -33.4702 -33.2261 -33.2207 -33.1907 -33.1902 -33.1877 -33.1860 -33.1794 -33.1790 -11.0757 -11.0755 -10.2585 -10.2570 2.0581 2.0592 3.7077 3.7097 4.0862 4.0890 4.1786 4.1788 4.7198 4.7199 5.1228 5.1253 9.9492 9.9494 14.6476 14.6552 15.7114 15.7167 17.4041 17.4079 k = 0.1696 0.0979-0.0000 ( 2365 PWs) bands (ev): -66.5355 -66.5355 -66.5305 -66.5305 -33.4989 -33.4938 -33.4721 -33.4706 -33.2262 -33.2205 -33.1913 -33.1907 -33.1881 -33.1863 -33.1799 -33.1794 -11.0609 -11.0607 -10.2545 -10.2530 2.0855 2.0865 3.6414 3.6434 4.0415 4.0443 4.1641 4.1642 4.7198 4.7199 5.1102 5.1128 10.0478 10.0481 14.6919 14.6997 15.6934 15.6986 17.2866 17.2905 k = 0.1786 0.1031-0.0000 ( 2369 PWs) bands (ev): -66.5354 -66.5354 -66.5305 -66.5305 -33.4990 -33.4937 -33.4726 -33.4711 -33.2263 -33.2203 -33.1918 -33.1911 -33.1886 -33.1867 -33.1803 -33.1798 -11.0454 -11.0452 -10.2504 -10.2489 2.1141 2.1151 3.5738 3.5758 3.9968 3.9997 4.1494 4.1495 4.7195 4.7196 5.0969 5.0994 10.1481 10.1484 14.7318 14.7397 15.6765 15.6814 17.1756 17.1798 k = 0.1875 0.1083-0.0000 ( 2369 PWs) bands (ev): -66.5353 -66.5353 -66.5305 -66.5305 -33.4992 -33.4937 -33.4732 -33.4715 -33.2264 -33.2201 -33.1924 -33.1916 -33.1891 -33.1871 -33.1807 -33.1801 -11.0295 -11.0292 -10.2463 -10.2447 2.1439 2.1449 3.5054 3.5075 3.9522 3.9551 4.1346 4.1348 4.7191 4.7192 5.0828 5.0854 10.2497 10.2500 14.7662 14.7740 15.6608 15.6652 17.0723 17.0768 k = 0.1964 0.1134-0.0000 ( 2369 PWs) bands (ev): -66.5352 -66.5352 -66.5305 -66.5305 -33.4993 -33.4936 -33.4737 -33.4719 -33.2264 -33.2199 -33.1929 -33.1920 -33.1896 -33.1875 -33.1811 -33.1805 -11.0130 -11.0127 -10.2423 -10.2406 2.1749 2.1759 3.4365 3.4386 3.9076 3.9106 4.1198 4.1199 4.7184 4.7185 5.0679 5.0705 10.3525 10.3528 14.7938 14.8013 15.6460 15.6498 16.9782 16.9830 k = 0.2054 0.1186-0.0000 ( 2369 PWs) bands (ev): -66.5352 -66.5352 -66.5305 -66.5305 -33.4994 -33.4936 -33.4742 -33.4724 -33.2265 -33.2197 -33.1935 -33.1925 -33.1902 -33.1879 -33.1815 -33.1808 -10.9960 -10.9957 -10.2382 -10.2365 2.2070 2.2080 3.3674 3.3695 3.8632 3.8663 4.1050 4.1051 4.7175 4.7176 5.0522 5.0549 10.4561 10.4565 14.8134 14.8205 15.6317 15.6346 16.8947 16.8998 k = 0.2143 0.1237-0.0000 ( 2373 PWs) bands (ev): -66.5351 -66.5351 -66.5305 -66.5305 -33.4996 -33.4935 -33.4748 -33.4728 -33.2265 -33.2195 -33.1941 -33.1930 -33.1907 -33.1884 -33.1819 -33.1812 -10.9785 -10.9782 -10.2342 -10.2324 2.2402 2.2411 3.2984 3.3005 3.8191 3.8223 4.0901 4.0902 4.7164 4.7165 5.0357 5.0384 10.5604 10.5609 14.8243 14.8309 15.6167 15.6186 16.8236 16.8288 k = 0.2232 0.1289-0.0000 ( 2369 PWs) bands (ev): -66.5350 -66.5350 -66.5305 -66.5305 -33.4997 -33.4935 -33.4754 -33.4733 -33.2265 -33.2193 -33.1948 -33.1934 -33.1913 -33.1889 -33.1823 -33.1815 -10.9607 -10.9604 -10.2302 -10.2284 2.2743 2.2751 3.2298 3.2319 3.7752 3.7785 4.0753 4.0754 4.7152 4.7153 5.0185 5.0212 10.6652 10.6657 14.8261 14.8321 15.5996 15.6005 16.7664 16.7718 k = 0.2321 0.1340-0.0000 ( 2373 PWs) bands (ev): -66.5349 -66.5349 -66.5305 -66.5305 -33.4998 -33.4935 -33.4760 -33.4738 -33.2266 -33.2191 -33.1954 -33.1939 -33.1919 -33.1895 -33.1827 -33.1819 -10.9425 -10.9422 -10.2264 -10.2245 2.3094 2.3101 3.1618 3.1639 3.7317 3.7352 4.0605 4.0606 4.7137 4.7138 5.0004 5.0032 10.7701 10.7707 14.8190 14.8242 15.5785 15.5786 16.7244 16.7298 k = 0.2411 0.1392-0.0000 ( 2377 PWs) bands (ev): -66.5348 -66.5348 -66.5305 -66.5305 -33.4999 -33.4935 -33.4766 -33.4743 -33.2266 -33.2189 -33.1961 -33.1944 -33.1924 -33.1900 -33.1831 -33.1822 -10.9240 -10.9236 -10.2226 -10.2208 2.3453 2.3459 3.0945 3.0967 3.6887 3.6923 4.0459 4.0460 4.7121 4.7122 4.9816 4.9844 10.8751 10.8757 14.8034 14.8078 15.5515 15.5525 16.6982 16.7034 k = 0.2500 0.1443-0.0000 ( 2377 PWs) bands (ev): -66.5347 -66.5347 -66.5305 -66.5305 -33.5000 -33.4935 -33.4772 -33.4748 -33.2266 -33.2187 -33.1969 -33.1949 -33.1930 -33.1905 -33.1834 -33.1826 -10.9052 -10.9048 -10.2190 -10.2172 2.3820 2.3824 3.0284 3.0307 3.6463 3.6500 4.0314 4.0315 4.7103 4.7104 4.9619 4.9647 10.9800 10.9806 14.7800 14.7837 15.5189 15.5205 16.6873 16.6921 k = 0.2589 0.1495-0.0000 ( 2381 PWs) bands (ev): -66.5346 -66.5346 -66.5305 -66.5305 -33.5001 -33.4935 -33.4777 -33.4753 -33.2266 -33.2185 -33.1976 -33.1954 -33.1935 -33.1911 -33.1837 -33.1829 -10.8862 -10.8857 -10.2156 -10.2137 2.4192 2.4193 2.9636 2.9659 3.6045 3.6083 4.0170 4.0171 4.7084 4.7085 4.9415 4.9443 11.0845 11.0852 14.7496 14.7526 15.4809 15.4829 16.6902 16.6944 k = 0.2679 0.1546-0.0000 ( 2373 PWs) bands (ev): -66.5345 -66.5345 -66.5305 -66.5305 -33.5002 -33.4935 -33.4783 -33.4757 -33.2266 -33.2183 -33.1983 -33.1959 -33.1940 -33.1917 -33.1840 -33.1831 -10.8669 -10.8665 -10.2124 -10.2105 2.4565 2.4567 2.9006 2.9031 3.5634 3.5674 4.0030 4.0031 4.7064 4.7065 4.9203 4.9232 11.1885 11.1893 14.7131 14.7156 15.4384 15.4406 16.7046 16.7081 k = 0.2768 0.1598-0.0000 ( 2369 PWs) bands (ev): -66.5344 -66.5344 -66.5305 -66.5305 -33.5002 -33.4934 -33.4789 -33.4763 -33.2265 -33.2181 -33.1990 -33.1963 -33.1945 -33.1922 -33.1843 -33.1835 -10.8476 -10.8471 -10.2094 -10.2075 2.4935 2.4941 2.8397 2.8426 3.5232 3.5274 3.9892 3.9892 4.7042 4.7043 4.8983 4.9012 11.2918 11.2927 14.6713 14.6735 15.3926 15.3947 16.7276 16.7302 k = 0.2857 0.1650-0.0000 ( 2369 PWs) bands (ev): -66.5343 -66.5343 -66.5305 -66.5305 -33.5003 -33.4934 -33.4795 -33.4768 -33.2264 -33.2178 -33.1998 -33.1969 -33.1950 -33.1928 -33.1846 -33.1838 -10.8281 -10.8276 -10.2067 -10.2047 2.5290 2.5303 2.7822 2.7855 3.4839 3.4883 3.9756 3.9757 4.7018 4.7020 4.8755 4.8785 11.3943 11.3952 14.6251 14.6270 15.3447 15.3467 16.7561 16.7578 k = 0.2946 0.1701-0.0000 ( 2361 PWs) bands (ev): -66.5342 -66.5342 -66.5305 -66.5305 -33.5003 -33.4934 -33.4801 -33.4772 -33.2264 -33.2176 -33.2005 -33.1973 -33.1955 -33.1933 -33.1849 -33.1840 -10.8086 -10.8080 -10.2042 -10.2022 2.5598 2.5622 2.7312 2.7353 3.4457 3.4503 3.9625 3.9626 4.6995 4.6997 4.8521 4.8550 11.4957 11.4968 14.5752 14.5769 15.2960 15.2978 16.7872 16.7878 k = 0.3036 0.1753-0.0000 ( 2353 PWs) bands (ev): -66.5341 -66.5341 -66.5305 -66.5305 -33.5003 -33.4934 -33.4807 -33.4777 -33.2262 -33.2174 -33.2013 -33.1978 -33.1959 -33.1938 -33.1852 -33.1843 -10.7891 -10.7885 -10.2020 -10.2000 2.5755 2.5791 2.6974 2.7023 3.4086 3.4135 3.9497 3.9498 4.6970 4.6972 4.8279 4.8309 11.5960 11.5971 14.5224 14.5240 15.2475 15.2489 16.8171 16.8174 k = 0.3125 0.1804-0.0000 ( 2353 PWs) bands (ev): -66.5340 -66.5340 -66.5305 -66.5305 -33.5003 -33.4934 -33.4812 -33.4782 -33.2261 -33.2172 -33.2021 -33.1983 -33.1963 -33.1943 -33.1854 -33.1846 -10.7696 -10.7691 -10.2001 -10.1981 2.5592 2.5619 2.6997 2.7035 3.3727 3.3779 3.9373 3.9373 4.6944 4.6947 4.8031 4.8061 11.6948 11.6960 14.4673 14.4688 15.1998 15.2009 16.8427 16.8440 k = 0.3214 0.1856-0.0000 ( 2345 PWs) bands (ev): -66.5339 -66.5339 -66.5305 -66.5305 -33.5003 -33.4934 -33.4818 -33.4787 -33.2260 -33.2169 -33.2028 -33.1988 -33.1968 -33.1949 -33.1857 -33.1849 -10.7503 -10.7497 -10.1985 -10.1965 2.5200 2.5215 2.7277 2.7297 3.3381 3.3437 3.9252 3.9252 4.6917 4.6920 4.7778 4.7807 11.7922 11.7935 14.4106 14.4121 15.1536 15.1543 16.8616 16.8638 k = 0.3304 0.1907-0.0000 ( 2341 PWs) bands (ev): -66.5338 -66.5338 -66.5305 -66.5305 -33.5002 -33.4934 -33.4823 -33.4792 -33.2258 -33.2167 -33.2036 -33.1993 -33.1972 -33.1953 -33.1859 -33.1852 -10.7311 -10.7305 -10.1973 -10.1953 2.4742 2.4749 2.7638 2.7646 3.3049 3.3111 3.9135 3.9136 4.6887 4.6892 4.7521 4.7549 11.8879 11.8892 14.3528 14.3544 15.1091 15.1096 16.8713 16.8743 k = 0.3393 0.1959-0.0000 ( 2337 PWs) bands (ev): -66.5337 -66.5337 -66.5305 -66.5305 -33.5002 -33.4934 -33.4829 -33.4797 -33.2257 -33.2165 -33.2043 -33.1999 -33.1975 -33.1958 -33.1862 -33.1854 -10.7122 -10.7116 -10.1964 -10.1944 2.4273 2.4277 2.8022 2.8025 3.2734 3.2801 3.9024 3.9024 4.6851 4.6859 4.7265 4.7290 11.9817 11.9831 14.2945 14.2962 15.0667 15.0668 16.8703 16.8739 k = 0.3482 0.2010-0.0000 ( 2333 PWs) bands (ev): -66.5336 -66.5336 -66.5305 -66.5305 -33.5001 -33.4935 -33.4834 -33.4802 -33.2255 -33.2163 -33.2051 -33.2004 -33.1979 -33.1962 -33.1864 -33.1857 -10.6936 -10.6929 -10.1958 -10.1939 2.3814 2.3815 2.8406 2.8420 3.2436 3.2512 3.8916 3.8917 4.6789 4.6808 4.7031 4.7046 12.0735 12.0750 14.2363 14.2381 15.0264 15.0265 16.8577 16.8618 k = 0.3571 0.2062-0.0000 ( 2333 PWs) bands (ev): -66.5335 -66.5335 -66.5305 -66.5305 -33.5001 -33.4935 -33.4839 -33.4806 -33.2253 -33.2161 -33.2058 -33.2009 -33.1982 -33.1966 -33.1866 -33.1859 -10.6753 -10.6746 -10.1956 -10.1937 2.3371 2.3371 2.8786 2.8813 3.2158 3.2245 3.8814 3.8815 4.6627 4.6663 4.6891 4.6893 12.1631 12.1647 14.1784 14.1803 14.9882 14.9887 16.8342 16.8385 k = 0.3661 0.2114-0.0000 ( 2333 PWs) bands (ev): -66.5334 -66.5334 -66.5305 -66.5305 -33.5000 -33.4936 -33.4843 -33.4811 -33.2251 -33.2160 -33.2065 -33.2014 -33.1985 -33.1970 -33.1868 -33.1862 -10.6575 -10.6568 -10.1958 -10.1939 2.2947 2.2948 2.9153 2.9197 3.1906 3.2007 3.8717 3.8718 4.6378 4.6415 4.6837 4.6840 12.2503 12.2520 14.1213 14.1234 14.9525 14.9532 16.8014 16.8056 k = 0.3750 0.2165-0.0000 ( 2333 PWs) bands (ev): -66.5333 -66.5333 -66.5305 -66.5305 -33.4999 -33.4937 -33.4848 -33.4816 -33.2249 -33.2158 -33.2071 -33.2020 -33.1988 -33.1974 -33.1870 -33.1864 -10.6401 -10.6394 -10.1963 -10.1945 2.2545 2.2547 2.9495 2.9560 3.1688 3.1808 3.8626 3.8626 4.6107 4.6143 4.6805 4.6808 12.3350 12.3368 14.0653 14.0675 14.9193 14.9202 16.7613 16.7654 k = 0.3839 0.2217-0.0000 ( 2333 PWs) bands (ev): -66.5332 -66.5332 -66.5306 -66.5306 -33.4998 -33.4938 -33.4852 -33.4820 -33.2246 -33.2158 -33.2077 -33.2025 -33.1991 -33.1978 -33.1872 -33.1866 -10.6233 -10.6225 -10.1971 -10.1953 2.2168 2.2170 2.9790 2.9883 3.1520 3.1666 3.8539 3.8540 4.5830 4.5866 4.6780 4.6782 12.4170 12.4188 14.0106 14.0129 14.8886 14.8896 16.7162 16.7201 k = 0.3929 0.2268-0.0000 ( 2331 PWs) bands (ev): -66.5332 -66.5332 -66.5306 -66.5306 -33.4996 -33.4939 -33.4855 -33.4824 -33.2244 -33.2157 -33.2083 -33.2030 -33.1993 -33.1981 -33.1874 -33.1868 -10.6071 -10.6063 -10.1982 -10.1965 2.1815 2.1817 3.0009 3.0127 3.1441 3.1610 3.8459 3.8459 4.5552 4.5587 4.6757 4.6759 12.4960 12.4979 13.9574 13.9598 14.8605 14.8616 16.6682 16.6719 k = 0.4018 0.2320-0.0000 ( 2333 PWs) bands (ev): -66.5331 -66.5331 -66.5306 -66.5306 -33.4995 -33.4941 -33.4859 -33.4829 -33.2241 -33.2157 -33.2087 -33.2036 -33.1996 -33.1984 -33.1876 -33.1870 -10.5916 -10.5909 -10.1996 -10.1980 2.1488 2.1490 3.0120 3.0244 3.1495 3.1668 3.8384 3.8384 4.5278 4.5311 4.6737 4.6738 12.5719 12.5740 13.9060 13.9085 14.8349 14.8361 16.6189 16.6223 k = 0.4107 0.2371-0.0000 ( 2329 PWs) bands (ev): -66.5330 -66.5330 -66.5306 -66.5306 -33.4993 -33.4942 -33.4861 -33.4833 -33.2238 -33.2158 -33.2091 -33.2040 -33.1997 -33.1987 -33.1877 -33.1872 -10.5769 -10.5762 -10.2012 -10.1997 2.1187 2.1190 3.0128 3.0234 3.1680 3.1833 3.8316 3.8316 4.5008 4.5041 4.6718 4.6719 12.6447 12.6468 13.8564 13.8590 14.8118 14.8130 16.5699 16.5730 k = 0.4196 0.2423-0.0000 ( 2325 PWs) bands (ev): -66.5329 -66.5329 -66.5306 -66.5306 -33.4991 -33.4944 -33.4863 -33.4836 -33.2235 -33.2160 -33.2094 -33.2045 -33.1999 -33.1989 -33.1878 -33.1874 -10.5631 -10.5625 -10.2030 -10.2016 2.0914 2.0916 3.0070 3.0153 3.1939 3.2066 3.8253 3.8254 4.4745 4.4777 4.6702 4.6703 12.7138 12.7160 13.8088 13.8114 14.7912 14.7924 16.5224 16.5252 k = 0.4286 0.2474-0.0000 ( 2323 PWs) bands (ev): -66.5329 -66.5329 -66.5306 -66.5306 -33.4989 -33.4946 -33.4865 -33.4840 -33.2231 -33.2162 -33.2096 -33.2050 -33.2000 -33.1992 -33.1879 -33.1875 -10.5504 -10.5497 -10.2050 -10.2036 2.0668 2.0670 2.9982 3.0045 3.2223 3.2327 3.8198 3.8198 4.4494 4.4524 4.6686 4.6687 12.7791 12.7813 13.7632 13.7659 14.7731 14.7743 16.4775 16.4800 k = 0.4375 0.2526-0.0000 ( 2333 PWs) bands (ev): -66.5328 -66.5328 -66.5307 -66.5307 -33.4988 -33.4949 -33.4866 -33.4844 -33.2228 -33.2165 -33.2097 -33.2055 -33.2002 -33.1994 -33.1880 -33.1877 -10.5387 -10.5381 -10.2070 -10.2058 2.0450 2.0452 2.9884 2.9932 3.2506 3.2591 3.8148 3.8148 4.4258 4.4285 4.6672 4.6673 12.8403 12.8425 13.7200 13.7227 14.7574 14.7585 16.4359 16.4381 k = 0.4464 0.2577-0.0000 ( 2334 PWs) bands (ev): -66.5328 -66.5328 -66.5307 -66.5307 -33.4985 -33.4952 -33.4867 -33.4847 -33.2224 -33.2169 -33.2097 -33.2060 -33.2003 -33.1996 -33.1881 -33.1878 -10.5282 -10.5277 -10.2089 -10.2079 2.0260 2.0261 2.9790 2.9827 3.2772 3.2843 3.8104 3.8105 4.4040 4.4065 4.6660 4.6661 12.8970 12.8992 13.6793 13.6820 14.7440 14.7451 16.3984 16.4003 k = 0.4554 0.2629-0.0000 ( 2330 PWs) bands (ev): -66.5327 -66.5327 -66.5307 -66.5307 -33.4983 -33.4954 -33.4867 -33.4850 -33.2220 -33.2173 -33.2096 -33.2064 -33.2003 -33.1998 -33.1882 -33.1879 -10.5191 -10.5186 -10.2108 -10.2099 2.0099 2.0101 2.9706 2.9734 3.3014 3.3071 3.8068 3.8068 4.3845 4.3867 4.6650 4.6650 12.9486 12.9507 13.6417 13.6442 14.7329 14.7339 16.3657 16.3672 k = 0.4643 0.2681-0.0000 ( 2334 PWs) bands (ev): -66.5327 -66.5327 -66.5307 -66.5307 -33.4981 -33.4958 -33.4867 -33.4853 -33.2216 -33.2178 -33.2094 -33.2069 -33.2004 -33.2000 -33.1882 -33.1880 -10.5115 -10.5110 -10.2125 -10.2117 1.9967 1.9969 2.9634 2.9655 3.3223 3.3268 3.8038 3.8038 4.3678 4.3697 4.6642 4.6642 12.9943 12.9963 13.6077 13.6100 14.7241 14.7248 16.3382 16.3394 k = 0.4732 0.2732-0.0000 ( 2332 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4978 -33.4961 -33.4866 -33.4856 -33.2211 -33.2183 -33.2092 -33.2073 -33.2004 -33.2001 -33.1882 -33.1881 -10.5053 -10.5050 -10.2139 -10.2133 1.9865 1.9865 2.9577 2.9592 3.3394 3.3428 3.8014 3.8014 4.3543 4.3557 4.6635 4.6635 13.0329 13.0346 13.5785 13.5805 14.7173 14.7179 16.3163 16.3173 k = 0.4821 0.2784-0.0000 ( 2330 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4975 -33.4963 -33.4865 -33.4858 -33.2207 -33.2188 -33.2089 -33.2077 -33.2004 -33.2002 -33.1882 -33.1881 -10.5009 -10.5006 -10.2149 -10.2145 1.9791 1.9792 2.9536 2.9546 3.3522 3.3544 3.7998 3.7998 4.3444 4.3454 4.6630 4.6630 13.0629 13.0642 13.5557 13.5571 14.7126 14.7130 16.3006 16.3012 k = 0.4911 0.2835-0.0000 ( 2330 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4972 -33.4966 -33.4864 -33.4861 -33.2202 -33.2192 -33.2087 -33.2080 -33.2004 -33.2003 -33.1882 -33.1882 -10.4981 -10.4980 -10.2155 -10.2153 1.9747 1.9747 2.9513 2.9517 3.3603 3.3614 3.7988 3.7988 4.3384 4.3389 4.6627 4.6627 13.0822 13.0829 13.5410 13.5418 14.7098 14.7100 16.2910 16.2914 k = 0.5000 0.2887-0.0000 ( 2326 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4969 -33.4969 -33.4862 -33.4862 -33.2197 -33.2197 -33.2083 -33.2083 -33.2004 -33.2004 -33.1882 -33.1882 -10.4972 -10.4972 -10.2156 -10.2156 1.9732 1.9732 2.9506 2.9506 3.3633 3.3633 3.7985 3.7985 4.3365 4.3365 4.6627 4.6627 13.0892 13.0892 13.5361 13.5361 14.7089 14.7089 16.2880 16.2880 k = 0.5000 0.2887-0.0000 ( 2326 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4969 -33.4969 -33.4862 -33.4862 -33.2197 -33.2197 -33.2083 -33.2083 -33.2004 -33.2004 -33.1882 -33.1882 -10.4972 -10.4972 -10.2156 -10.2156 1.9732 1.9732 2.9506 2.9506 3.3633 3.3633 3.7985 3.7985 4.3365 4.3365 4.6627 4.6627 13.0892 13.0892 13.5361 13.5361 14.7089 14.7089 16.2880 16.2880 k = 0.4948 0.2977-0.0000 ( 2326 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4971 -33.4967 -33.4862 -33.4862 -33.2197 -33.2197 -33.2083 -33.2083 -33.2005 -33.2003 -33.1882 -33.1882 -10.4969 -10.4969 -10.2157 -10.2156 1.9738 1.9739 2.9511 2.9512 3.3637 3.3640 3.7968 3.7973 4.3361 4.3363 4.6609 4.6611 13.0905 13.0906 13.5373 13.5375 14.7094 14.7096 16.2877 16.2880 k = 0.4896 0.3067-0.0000 ( 2334 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4973 -33.4966 -33.4863 -33.4862 -33.2197 -33.2197 -33.2084 -33.2083 -33.2006 -33.2002 -33.1884 -33.1882 -10.4962 -10.4961 -10.2158 -10.2157 1.9757 1.9758 2.9527 2.9527 3.3651 3.3657 3.7923 3.7934 4.3351 4.3354 4.6558 4.6562 13.0943 13.0944 13.5409 13.5414 14.7111 14.7113 16.2873 16.2878 k = 0.4844 0.3157-0.0000 ( 2338 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4975 -33.4964 -33.4864 -33.4863 -33.2198 -33.2196 -33.2084 -33.2083 -33.2008 -33.2002 -33.1885 -33.1883 -10.4950 -10.4949 -10.2161 -10.2159 1.9787 1.9790 2.9553 2.9553 3.3676 3.3684 3.7849 3.7866 4.3334 4.3340 4.6475 4.6482 13.1006 13.1008 13.5469 13.5476 14.7139 14.7142 16.2866 16.2873 k = 0.4792 0.3248-0.0000 ( 2338 PWs) bands (ev): -66.5326 -66.5326 -66.5308 -66.5308 -33.4977 -33.4962 -33.4864 -33.4863 -33.2197 -33.2195 -33.2084 -33.2083 -33.2010 -33.2001 -33.1886 -33.1883 -10.4933 -10.4932 -10.2164 -10.2161 1.9831 1.9834 2.9589 2.9590 3.3710 3.3721 3.7750 3.7772 4.3311 4.3318 4.6361 4.6371 13.1094 13.1097 13.5552 13.5562 14.7180 14.7184 16.2856 16.2866 k = 0.4740 0.3338-0.0000 ( 2342 PWs) bands (ev): -66.5326 -66.5326 -66.5308 -66.5308 -33.4979 -33.4960 -33.4865 -33.4863 -33.2197 -33.2195 -33.2084 -33.2083 -33.2012 -33.2001 -33.1888 -33.1884 -10.4911 -10.4909 -10.2167 -10.2165 1.9886 1.9890 2.9636 2.9637 3.3753 3.3768 3.7624 3.7654 4.3280 4.3290 4.6217 4.6229 13.1206 13.1208 13.5656 13.5667 14.7234 14.7239 16.2844 16.2856 k = 0.4688 0.3428-0.0000 ( 2344 PWs) bands (ev): -66.5326 -66.5326 -66.5308 -66.5308 -33.4980 -33.4958 -33.4866 -33.4864 -33.2197 -33.2194 -33.2084 -33.2082 -33.2014 -33.2001 -33.1889 -33.1886 -10.4884 -10.4882 -10.2172 -10.2169 1.9953 1.9958 2.9692 2.9693 3.3805 3.3824 3.7475 3.7512 4.3242 4.3256 4.6042 4.6058 13.1339 13.1342 13.5777 13.5791 14.7303 14.7309 16.2827 16.2842 k = 0.4635 0.3518-0.0000 ( 2340 PWs) bands (ev): -66.5325 -66.5325 -66.5308 -66.5308 -33.4982 -33.4956 -33.4867 -33.4864 -33.2196 -33.2192 -33.2084 -33.2082 -33.2016 -33.2001 -33.1891 -33.1887 -10.4853 -10.4851 -10.2178 -10.2174 2.0032 2.0038 2.9759 2.9760 3.3864 3.3888 3.7304 3.7348 4.3198 4.3214 4.5840 4.5859 13.1493 13.1497 13.5914 13.5929 14.7388 14.7395 16.2806 16.2823 k = 0.4583 0.3608-0.0000 ( 2338 PWs) bands (ev): -66.5325 -66.5325 -66.5308 -66.5308 -33.4983 -33.4954 -33.4867 -33.4865 -33.2195 -33.2191 -33.2084 -33.2081 -33.2018 -33.2002 -33.1893 -33.1889 -10.4817 -10.4814 -10.2185 -10.2180 2.0122 2.0129 2.9835 2.9836 3.3930 3.3960 3.7114 3.7167 4.3146 4.3166 4.5611 4.5635 13.1666 13.1670 13.6061 13.6079 14.7490 14.7498 16.2779 16.2799 k = 0.4531 0.3699-0.0000 ( 2330 PWs) bands (ev): -66.5325 -66.5325 -66.5308 -66.5308 -33.4985 -33.4951 -33.4868 -33.4865 -33.2194 -33.2189 -33.2084 -33.2081 -33.2020 -33.2002 -33.1895 -33.1890 -10.4777 -10.4774 -10.2192 -10.2187 2.0223 2.0231 2.9920 2.9921 3.4001 3.4038 3.6908 3.6971 4.3086 4.3111 4.5357 4.5387 13.1855 13.1859 13.6216 13.6236 14.7612 14.7621 16.2746 16.2768 k = 0.4479 0.3789-0.0000 ( 2340 PWs) bands (ev): -66.5325 -66.5325 -66.5308 -66.5308 -33.4987 -33.4950 -33.4870 -33.4866 -33.2193 -33.2188 -33.2084 -33.2080 -33.2023 -33.2003 -33.1898 -33.1892 -10.4732 -10.4729 -10.2202 -10.2196 2.0334 2.0342 3.0013 3.0014 3.4071 3.4119 3.6690 3.6765 4.3017 4.3048 4.5080 4.5116 13.2058 13.2062 13.6374 13.6395 14.7755 14.7764 16.2704 16.2728 k = 0.4427 0.3879-0.0000 ( 2340 PWs) bands (ev): -66.5324 -66.5324 -66.5308 -66.5308 -33.4988 -33.4948 -33.4871 -33.4867 -33.2192 -33.2186 -33.2084 -33.2080 -33.2026 -33.2004 -33.1901 -33.1894 -10.4683 -10.4679 -10.2212 -10.2206 2.0455 2.0464 3.0114 3.0116 3.4138 3.4197 3.6469 3.6557 4.2938 4.2976 4.4783 4.4827 13.2273 13.2277 13.6532 13.6554 14.7922 14.7931 16.2653 16.2679 k = 0.4375 0.3969-0.0000 ( 2340 PWs) bands (ev): -66.5324 -66.5324 -66.5308 -66.5308 -33.4989 -33.4946 -33.4872 -33.4868 -33.2191 -33.2185 -33.2084 -33.2079 -33.2029 -33.2005 -33.1904 -33.1897 -10.4630 -10.4626 -10.2225 -10.2218 2.0584 2.0594 3.0224 3.0225 3.4194 3.4267 3.6252 3.6356 4.2849 4.2896 4.4468 4.4522 13.2498 13.2502 13.6684 13.6708 14.8113 14.8123 16.2591 16.2619 k = 0.4323 0.4059-0.0000 ( 2334 PWs) bands (ev): -66.5324 -66.5324 -66.5308 -66.5308 -33.4991 -33.4943 -33.4873 -33.4869 -33.2190 -33.2182 -33.2084 -33.2078 -33.2032 -33.2007 -33.1906 -33.1899 -10.4573 -10.4569 -10.2239 -10.2231 2.0723 2.0733 3.0340 3.0341 3.4228 3.4317 3.6055 3.6177 4.2747 4.2807 4.4137 4.4205 13.2730 13.2733 13.6828 13.6853 14.8331 14.8340 16.2517 16.2546 k = 0.4271 0.4150-0.0000 ( 2334 PWs) bands (ev): -66.5323 -66.5323 -66.5308 -66.5308 -33.4992 -33.4941 -33.4874 -33.4871 -33.2189 -33.2180 -33.2084 -33.2078 -33.2035 -33.2008 -33.1909 -33.1902 -10.4513 -10.4508 -10.2254 -10.2247 2.0868 2.0879 3.0462 3.0463 3.4223 3.4327 3.5899 3.6038 4.2630 4.2707 4.3794 4.3880 13.2966 13.2970 13.6960 13.6985 14.8577 14.8586 16.2427 16.2459 k = 0.4219 0.4240-0.0000 ( 2334 PWs) bands (ev): -66.5323 -66.5323 -66.5309 -66.5309 -33.4993 -33.4939 -33.4876 -33.4872 -33.2187 -33.2178 -33.2085 -33.2077 -33.2037 -33.2010 -33.1912 -33.1905 -10.4449 -10.4444 -10.2272 -10.2264 2.1019 2.1031 3.0590 3.0590 3.4164 3.4276 3.5806 3.5954 4.2493 4.2595 4.3444 4.3556 13.3205 13.3208 13.7077 13.7102 14.8851 14.8859 16.2321 16.2354 k = 0.4167 0.4330-0.0000 ( 2334 PWs) bands (ev): -66.5323 -66.5323 -66.5309 -66.5309 -33.4994 -33.4937 -33.4877 -33.4873 -33.2186 -33.2176 -33.2085 -33.2076 -33.2040 -33.2011 -33.1915 -33.1908 -10.4382 -10.4376 -10.2292 -10.2284 2.1176 2.1187 3.0722 3.0722 3.4045 3.4154 3.5791 3.5938 4.2331 4.2466 4.3093 4.3239 13.3444 13.3447 13.7177 13.7202 14.9154 14.9161 16.2196 16.2230 k = 0.4115 0.4420-0.0000 ( 2330 PWs) bands (ev): -66.5322 -66.5322 -66.5309 -66.5309 -33.4995 -33.4935 -33.4878 -33.4875 -33.2185 -33.2173 -33.2086 -33.2076 -33.2042 -33.2013 -33.1918 -33.1911 -10.4312 -10.4306 -10.2314 -10.2306 2.1336 2.1348 3.0857 3.0858 3.3874 3.3971 3.5847 3.5984 4.2134 4.2307 4.2755 4.2942 13.3681 13.3684 13.7258 13.7282 14.9486 14.9491 16.2051 16.2086 k = 0.4062 0.4511-0.0000 ( 2334 PWs) bands (ev): -66.5322 -66.5322 -66.5309 -66.5309 -33.4996 -33.4933 -33.4880 -33.4876 -33.2183 -33.2171 -33.2087 -33.2075 -33.2045 -33.2014 -33.1922 -33.1914 -10.4239 -10.4232 -10.2339 -10.2330 2.1498 2.1510 3.0993 3.0995 3.3664 3.3747 3.5955 3.6080 4.1894 4.2092 4.2462 4.2674 13.3913 13.3916 13.7320 13.7344 14.9844 14.9848 16.1883 16.1919 k = 0.4010 0.4601-0.0000 ( 2338 PWs) bands (ev): -66.5321 -66.5321 -66.5309 -66.5309 -33.4997 -33.4931 -33.4882 -33.4878 -33.2182 -33.2169 -33.2088 -33.2074 -33.2047 -33.2016 -33.1925 -33.1917 -10.4163 -10.4156 -10.2367 -10.2358 2.1661 2.1673 3.1130 3.1133 3.3431 3.3501 3.6101 3.6214 4.1616 4.1801 4.2236 4.2437 13.4139 13.4142 13.7363 13.7386 15.0229 15.0231 16.1690 16.1727 k = 0.3958 0.4691-0.0000 ( 2334 PWs) bands (ev): -66.5321 -66.5321 -66.5310 -66.5310 -33.4998 -33.4929 -33.4883 -33.4880 -33.2180 -33.2166 -33.2090 -33.2074 -33.2048 -33.2018 -33.1927 -33.1920 -10.4085 -10.4078 -10.2398 -10.2388 2.1823 2.1834 3.1265 3.1269 3.3189 3.3248 3.6273 3.6377 4.1309 4.1466 4.2048 4.2223 13.4358 13.4359 13.7389 13.7410 15.0637 15.0638 16.1470 16.1508 k = 0.3906 0.4781-0.0000 ( 2330 PWs) bands (ev): -66.5320 -66.5320 -66.5310 -66.5310 -33.4998 -33.4927 -33.4885 -33.4881 -33.2179 -33.2163 -33.2091 -33.2073 -33.2050 -33.2020 -33.1930 -33.1923 -10.4005 -10.3998 -10.2432 -10.2421 2.1982 2.1993 3.1396 3.1402 3.2947 3.2998 3.6466 3.6562 4.0989 4.1119 4.1869 4.2019 13.4566 13.4567 13.7397 13.7417 15.1066 15.1068 16.1223 16.1261 k = 0.3854 0.4871-0.0000 ( 2330 PWs) bands (ev): -66.5320 -66.5320 -66.5310 -66.5310 -33.4999 -33.4925 -33.4886 -33.4883 -33.2177 -33.2160 -33.2094 -33.2072 -33.2051 -33.2022 -33.1932 -33.1926 -10.3924 -10.3915 -10.2469 -10.2458 2.2135 2.2146 3.1520 3.1529 3.2714 3.2757 3.6675 3.6764 4.0666 4.0776 4.1686 4.1819 13.4763 13.4764 13.7392 13.7410 15.1514 15.1518 16.0947 16.0984 k = 0.3802 0.4962-0.0000 ( 2330 PWs) bands (ev): -66.5319 -66.5319 -66.5311 -66.5311 -33.5000 -33.4923 -33.4888 -33.4884 -33.2176 -33.2157 -33.2097 -33.2071 -33.2051 -33.2024 -33.1935 -33.1929 -10.3840 -10.3832 -10.2510 -10.2499 2.2280 2.2290 3.1634 3.1647 3.2497 3.2532 3.6896 3.6981 4.0351 4.0445 4.1496 4.1615 13.4948 13.4948 13.7374 13.7391 15.1978 15.1986 16.0640 16.0678 k = 0.3750 0.5052-0.0000 ( 2334 PWs) bands (ev): -66.5319 -66.5319 -66.5311 -66.5311 -33.5000 -33.4921 -33.4890 -33.4886 -33.2174 -33.2155 -33.2100 -33.2071 -33.2052 -33.2027 -33.1937 -33.1931 -10.3756 -10.3747 -10.2554 -10.2543 2.2415 2.2425 3.1732 3.1753 3.2303 3.2330 3.7129 3.7210 4.0052 4.0132 4.1296 4.1406 13.5118 13.5118 13.7346 13.7361 15.2458 15.2467 16.0302 16.0340 k = 0.3698 0.5142-0.0000 ( 2338 PWs) bands (ev): -66.5318 -66.5318 -66.5311 -66.5311 -33.5001 -33.4919 -33.4891 -33.4888 -33.2173 -33.2152 -33.2104 -33.2070 -33.2052 -33.2029 -33.1939 -33.1934 -10.3670 -10.3661 -10.2603 -10.2592 2.2538 2.2547 3.1808 3.1841 3.2142 3.2155 3.7373 3.7450 3.9773 3.9842 4.1086 4.1188 13.5272 13.5273 13.7312 13.7325 15.2949 15.2962 15.9934 15.9971 k = 0.3646 0.5232-0.0000 ( 2336 PWs) bands (ev): -66.5318 -66.5318 -66.5312 -66.5312 -33.5001 -33.4917 -33.4893 -33.4889 -33.2172 -33.2149 -33.2107 -33.2069 -33.2051 -33.2032 -33.1941 -33.1936 -10.3584 -10.3574 -10.2655 -10.2644 2.2647 2.2655 3.1834 3.1895 3.2027 3.2041 3.7626 3.7699 3.9522 3.9582 4.0865 4.0961 13.5411 13.5411 13.7274 13.7285 15.3452 15.3467 15.9536 15.9572 k = 0.3594 0.5322-0.0000 ( 2340 PWs) bands (ev): -66.5317 -66.5317 -66.5312 -66.5312 -33.5002 -33.4915 -33.4894 -33.4891 -33.2170 -33.2146 -33.2111 -33.2069 -33.2050 -33.2034 -33.1942 -33.1938 -10.3498 -10.3487 -10.2712 -10.2701 2.2739 2.2746 3.1790 3.1855 3.2006 3.2022 3.7886 3.7957 3.9304 3.9354 4.0633 4.0723 13.5531 13.5532 13.7235 13.7244 15.3963 15.3981 15.9108 15.9143 k = 0.3542 0.5413-0.0000 ( 2340 PWs) bands (ev): -66.5317 -66.5317 -66.5313 -66.5313 -33.5002 -33.4913 -33.4896 -33.4893 -33.2169 -33.2142 -33.2115 -33.2068 -33.2050 -33.2037 -33.1943 -33.1940 -10.3411 -10.3400 -10.2774 -10.2762 2.2814 2.2819 3.1730 3.1785 3.2025 3.2030 3.8154 3.8222 3.9123 3.9163 4.0389 4.0476 13.5633 13.5634 13.7197 13.7204 15.4482 15.4503 15.8653 15.8687 k = 0.3490 0.5503-0.0000 ( 2342 PWs) bands (ev): -66.5316 -66.5316 -66.5313 -66.5313 -33.5002 -33.4911 -33.4897 -33.4894 -33.2168 -33.2139 -33.2119 -33.2068 -33.2049 -33.2039 -33.1944 -33.1942 -10.3325 -10.3313 -10.2840 -10.2828 2.2871 2.2875 3.1693 3.1745 3.2025 3.2027 3.8426 3.8491 3.8984 3.9015 4.0134 4.0217 13.5715 13.5715 13.7164 13.7169 15.5007 15.5030 15.8173 15.8206 k = 0.3438 0.5593-0.0000 ( 2346 PWs) bands (ev): -66.5316 -66.5316 -66.5314 -66.5314 -33.5002 -33.4909 -33.4898 -33.4896 -33.2167 -33.2136 -33.2123 -33.2067 -33.2048 -33.2041 -33.1945 -33.1943 -10.3239 -10.3227 -10.2911 -10.2899 2.2910 2.2912 3.1688 3.1740 3.2000 3.2005 3.8694 3.8743 3.8912 3.8919 3.9868 3.9946 13.5775 13.5776 13.7137 13.7141 15.5537 15.5563 15.7671 15.7702 k = 0.3385 0.5683-0.0000 ( 2350 PWs) bands (ev): -66.5315 -66.5315 -66.5314 -66.5314 -33.5002 -33.4908 -33.4899 -33.4897 -33.2166 -33.2133 -33.2127 -33.2067 -33.2046 -33.2043 -33.1945 -33.1944 -10.3155 -10.3141 -10.2986 -10.2975 2.2932 2.2933 3.1710 3.1767 3.1957 3.1962 3.8797 3.8808 3.9024 3.9088 3.9594 3.9665 13.5813 13.5813 13.7120 13.7122 15.6070 15.6099 15.7152 15.7180 k = 0.3333 0.5774-0.0000 ( 2352 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5002 -33.4908 -33.4898 -33.4898 -33.2166 -33.2130 -33.2130 -33.2067 -33.2045 -33.2045 -33.1945 -33.1945 -10.3086 -10.3061 -10.3052 -10.3052 2.2939 2.2939 3.1733 3.1798 3.1926 3.1926 3.8791 3.8791 3.9260 3.9355 3.9355 3.9387 13.5826 13.5826 13.7114 13.7114 15.6551 15.6608 15.6675 15.6675 k = 0.3333 0.5774-0.0000 ( 2352 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5002 -33.4908 -33.4898 -33.4898 -33.2166 -33.2130 -33.2130 -33.2067 -33.2045 -33.2045 -33.1945 -33.1945 -10.3086 -10.3061 -10.3052 -10.3052 2.2939 2.2939 3.1733 3.1798 3.1926 3.1926 3.8791 3.8791 3.9260 3.9355 3.9355 3.9387 13.5826 13.5826 13.7114 13.7114 15.6551 15.6608 15.6675 15.6675 k = 0.3281 0.5683-0.0000 ( 2352 PWs) bands (ev): -66.5315 -66.5315 -66.5314 -66.5314 -33.5002 -33.4908 -33.4899 -33.4897 -33.2166 -33.2133 -33.2128 -33.2067 -33.2046 -33.2043 -33.1945 -33.1944 -10.3157 -10.3143 -10.2984 -10.2973 2.2933 2.2934 3.1690 3.1744 3.1974 3.1989 3.8776 3.8819 3.9037 3.9066 3.9607 3.9666 13.5812 13.5812 13.7121 13.7123 15.6064 15.6094 15.7159 15.7187 k = 0.3229 0.5593-0.0000 ( 2352 PWs) bands (ev): -66.5316 -66.5316 -66.5314 -66.5314 -33.5002 -33.4909 -33.4900 -33.4895 -33.2167 -33.2135 -33.2125 -33.2068 -33.2047 -33.2042 -33.1945 -33.1943 -10.3248 -10.3235 -10.2904 -10.2892 2.2917 2.2919 3.1586 3.1634 3.2097 3.2121 3.8614 3.8748 3.8885 3.8946 3.9907 3.9966 13.5769 13.5770 13.7143 13.7146 15.5516 15.5543 15.7704 15.7735 k = 0.3177 0.5503-0.0000 ( 2344 PWs) bands (ev): -66.5316 -66.5316 -66.5313 -66.5313 -33.5002 -33.4910 -33.4900 -33.4892 -33.2169 -33.2135 -33.2122 -33.2068 -33.2047 -33.2040 -33.1944 -33.1942 -10.3345 -10.3332 -10.2825 -10.2812 2.2895 2.2898 3.1456 3.1503 3.2262 3.2290 3.8314 3.8423 3.8981 3.9013 4.0212 4.0271 13.5694 13.5696 13.7182 13.7186 15.4969 15.4994 15.8253 15.8287 k = 0.3125 0.5413-0.0000 ( 2332 PWs) bands (ev): -66.5317 -66.5317 -66.5312 -66.5312 -33.5002 -33.4911 -33.4900 -33.4889 -33.2172 -33.2135 -33.2120 -33.2068 -33.2047 -33.2037 -33.1943 -33.1940 -10.3447 -10.3435 -10.2748 -10.2734 2.2871 2.2875 3.1312 3.1361 3.2459 3.2489 3.7984 3.8086 3.9108 3.9129 4.0521 4.0579 13.5585 13.5588 13.7240 13.7245 15.4430 15.4453 15.8806 15.8842 k = 0.3073 0.5322-0.0000 ( 2328 PWs) bands (ev): -66.5317 -66.5317 -66.5312 -66.5312 -33.5002 -33.4912 -33.4900 -33.4886 -33.2175 -33.2133 -33.2118 -33.2069 -33.2046 -33.2035 -33.1942 -33.1938 -10.3556 -10.3543 -10.2673 -10.2659 2.2848 2.2852 3.1161 3.1211 3.2681 3.2712 3.7640 3.7739 3.9259 3.9273 4.0834 4.0891 13.5438 13.5441 13.7317 13.7324 15.3905 15.3926 15.9363 15.9401 k = 0.3021 0.5232-0.0000 ( 2320 PWs) bands (ev): -66.5318 -66.5318 -66.5311 -66.5311 -33.5001 -33.4913 -33.4899 -33.4883 -33.2179 -33.2131 -33.2116 -33.2069 -33.2045 -33.2033 -33.1940 -33.1936 -10.3669 -10.3657 -10.2601 -10.2586 2.2829 2.2834 3.1007 3.1058 3.2926 3.2957 3.7284 3.7382 3.9430 3.9441 4.1149 4.1205 13.5249 13.5253 13.7414 13.7422 15.3402 15.3421 15.9923 15.9962 k = 0.2969 0.5142-0.0000 ( 2330 PWs) bands (ev): -66.5319 -66.5319 -66.5311 -66.5311 -33.5002 -33.4914 -33.4899 -33.4880 -33.2183 -33.2129 -33.2115 -33.2069 -33.2044 -33.2031 -33.1939 -33.1934 -10.3789 -10.3777 -10.2532 -10.2516 2.2816 2.2822 3.0854 3.0907 3.3189 3.3220 3.6918 3.7016 3.9619 3.9626 4.1465 4.1521 13.5015 13.5020 13.7533 13.7542 15.2927 15.2944 16.0486 16.0527 k = 0.2917 0.5052-0.0000 ( 2330 PWs) bands (ev): -66.5320 -66.5320 -66.5310 -66.5310 -33.5002 -33.4915 -33.4898 -33.4877 -33.2188 -33.2127 -33.2115 -33.2069 -33.2042 -33.2029 -33.1937 -33.1932 -10.3914 -10.3902 -10.2465 -10.2450 2.2814 2.2820 3.0705 3.0761 3.3468 3.3499 3.6543 3.6641 3.9823 3.9828 4.1783 4.1838 13.4732 13.4738 13.7674 13.7684 15.2488 15.2504 16.1052 16.1094 k = 0.2865 0.4962-0.0000 ( 2330 PWs) bands (ev): -66.5320 -66.5320 -66.5310 -66.5310 -33.5002 -33.4917 -33.4897 -33.4874 -33.2192 -33.2124 -33.2116 -33.2068 -33.2040 -33.2027 -33.1935 -33.1929 -10.4045 -10.4033 -10.2402 -10.2386 2.2824 2.2830 3.0563 3.0621 3.3761 3.3791 3.6161 3.6260 4.0039 4.0042 4.2102 4.2156 13.4397 13.4404 13.7837 13.7848 15.2091 15.2105 16.1620 16.1664 k = 0.2812 0.4871-0.0000 ( 2330 PWs) bands (ev): -66.5321 -66.5321 -66.5310 -66.5310 -33.5002 -33.4918 -33.4896 -33.4870 -33.2197 -33.2120 -33.2116 -33.2067 -33.2038 -33.2024 -33.1933 -33.1927 -10.4181 -10.4170 -10.2343 -10.2326 2.2849 2.2855 3.0430 3.0491 3.4064 3.4094 3.5772 3.5872 4.0265 4.0266 4.2422 4.2475 13.4007 13.4015 13.8024 13.8035 15.1743 15.1756 16.2190 16.2236 k = 0.2760 0.4781-0.0000 ( 2332 PWs) bands (ev): -66.5322 -66.5322 -66.5309 -66.5309 -33.5002 -33.4919 -33.4894 -33.4867 -33.2201 -33.2118 -33.2117 -33.2065 -33.2035 -33.2022 -33.1930 -33.1924 -10.4323 -10.4311 -10.2287 -10.2270 2.2890 2.2897 3.0308 3.0371 3.4377 3.4403 3.5379 3.5479 4.0498 4.0498 4.2741 4.2793 13.3561 13.3570 13.8233 13.8245 15.1447 15.1459 16.2759 16.2808 k = 0.2708 0.4691-0.0000 ( 2324 PWs) bands (ev): -66.5323 -66.5323 -66.5309 -66.5309 -33.5003 -33.4920 -33.4891 -33.4863 -33.2206 -33.2120 -33.2112 -33.2062 -33.2032 -33.2019 -33.1927 -33.1920 -10.4470 -10.4459 -10.2235 -10.2217 2.2951 2.2957 3.0197 3.0263 3.4694 3.4703 3.4999 3.5085 4.0737 4.0738 4.3060 4.3112 13.3059 13.3069 13.8465 13.8477 15.1209 15.1219 16.3327 16.3378 k = 0.2656 0.4601-0.0000 ( 2316 PWs) bands (ev): -66.5323 -66.5323 -66.5308 -66.5308 -33.5003 -33.4921 -33.4888 -33.4859 -33.2210 -33.2122 -33.2108 -33.2059 -33.2029 -33.2016 -33.1924 -33.1916 -10.4622 -10.4611 -10.2186 -10.2169 2.3031 2.3037 3.0098 3.0168 3.4553 3.4677 3.5029 3.5071 4.0980 4.0982 4.3378 4.3429 13.2499 13.2510 13.8720 13.8733 15.1030 15.1040 16.3890 16.3942 k = 0.2604 0.4511-0.0000 ( 2320 PWs) bands (ev): -66.5324 -66.5324 -66.5308 -66.5308 -33.5003 -33.4922 -33.4886 -33.4855 -33.2214 -33.2125 -33.2103 -33.2056 -33.2025 -33.2013 -33.1921 -33.1913 -10.4779 -10.4769 -10.2142 -10.2124 2.3132 2.3138 3.0010 3.0085 3.4158 3.4282 3.5354 3.5391 4.1225 4.1227 4.3695 4.3745 13.1883 13.1894 13.8996 13.9009 15.0913 15.0922 16.4443 16.4498 k = 0.2552 0.4420-0.0000 ( 2318 PWs) bands (ev): -66.5325 -66.5325 -66.5307 -66.5307 -33.5003 -33.4923 -33.4883 -33.4851 -33.2218 -33.2127 -33.2098 -33.2053 -33.2022 -33.2010 -33.1918 -33.1910 -10.4942 -10.4931 -10.2102 -10.2083 2.3255 2.3261 2.9932 3.0013 3.3760 3.3887 3.5684 3.5719 4.1471 4.1474 4.4010 4.4058 13.1213 13.1224 13.9294 13.9307 15.0858 15.0866 16.4982 16.5040 k = 0.2500 0.4330-0.0000 ( 2322 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.5004 -33.4923 -33.4879 -33.4847 -33.2222 -33.2130 -33.2094 -33.2049 -33.2018 -33.2008 -33.1915 -33.1906 -10.5109 -10.5099 -10.2066 -10.2047 2.3402 2.3407 2.9862 2.9949 3.3367 3.3500 3.6016 3.6049 4.1718 4.1721 4.4321 4.4369 13.0491 13.0503 13.9612 13.9626 15.0864 15.0873 16.5498 16.5560 k = 0.2448 0.4240-0.0000 ( 2322 PWs) bands (ev): -66.5327 -66.5327 -66.5307 -66.5307 -33.5004 -33.4924 -33.4876 -33.4843 -33.2226 -33.2133 -33.2088 -33.2045 -33.2014 -33.2004 -33.1911 -33.1903 -10.5280 -10.5271 -10.2034 -10.2015 2.3572 2.3577 2.9795 2.9889 3.2985 3.3126 3.6347 3.6380 4.1965 4.1968 4.4631 4.4679 12.9723 12.9735 13.9951 13.9964 15.0931 15.0940 16.5981 16.6047 k = 0.2396 0.4150-0.0000 ( 2318 PWs) bands (ev): -66.5328 -66.5328 -66.5307 -66.5307 -33.5004 -33.4925 -33.4871 -33.4838 -33.2230 -33.2136 -33.2083 -33.2041 -33.2009 -33.2001 -33.1908 -33.1899 -10.5456 -10.5447 -10.2007 -10.1987 2.3767 2.3771 2.9724 2.9827 3.2624 3.2773 3.6677 3.6709 4.2210 4.2214 4.4939 4.4985 12.8910 12.8922 14.0308 14.0322 15.1058 15.1066 16.6419 16.6488 k = 0.2344 0.4059-0.0000 ( 2326 PWs) bands (ev): -66.5329 -66.5329 -66.5306 -66.5306 -33.5005 -33.4926 -33.4867 -33.4834 -33.2233 -33.2139 -33.2077 -33.2038 -33.2005 -33.1998 -33.1904 -33.1895 -10.5636 -10.5627 -10.1984 -10.1964 2.3986 2.3990 2.9640 2.9750 3.2295 3.2451 3.7005 3.7035 4.2453 4.2457 4.5243 4.5288 12.8058 12.8070 14.0683 14.0696 15.1241 15.1250 16.6793 16.6867 k = 0.2292 0.3969-0.0000 ( 2330 PWs) bands (ev): -66.5330 -66.5330 -66.5306 -66.5306 -33.5005 -33.4927 -33.4863 -33.4829 -33.2237 -33.2142 -33.2071 -33.2034 -33.2000 -33.1995 -33.1901 -33.1891 -10.5820 -10.5811 -10.1965 -10.1945 2.4230 2.4234 2.9531 2.9645 3.2014 3.2175 3.7329 3.7358 4.2693 4.2697 4.5543 4.5587 12.7169 12.7181 14.1074 14.1087 15.1480 15.1490 16.7085 16.7164 k = 0.2240 0.3879-0.0000 ( 2332 PWs) bands (ev): -66.5331 -66.5331 -66.5306 -66.5306 -33.5006 -33.4927 -33.4858 -33.4825 -33.2240 -33.2145 -33.2065 -33.2030 -33.1995 -33.1992 -33.1897 -33.1888 -10.6007 -10.5998 -10.1950 -10.1930 2.4499 2.4502 2.9381 2.9494 3.1800 3.1960 3.7648 3.7677 4.2929 4.2933 4.5838 4.5882 12.6248 12.6259 14.1481 14.1493 15.1774 15.1783 16.7276 16.7358 k = 0.2188 0.3789-0.0000 ( 2332 PWs) bands (ev): -66.5332 -66.5332 -66.5306 -66.5306 -33.5006 -33.4928 -33.4853 -33.4820 -33.2243 -33.2148 -33.2059 -33.2025 -33.1990 -33.1988 -33.1894 -33.1884 -10.6197 -10.6189 -10.1940 -10.1920 2.4795 2.4797 2.9181 2.9286 3.1665 3.1817 3.7963 3.7991 4.3162 4.3165 4.6130 4.6173 12.5297 12.5309 14.1901 14.1913 15.2119 15.2129 16.7347 16.7433 k = 0.2135 0.3699-0.0000 ( 2336 PWs) bands (ev): -66.5333 -66.5333 -66.5305 -66.5305 -33.5006 -33.4928 -33.4848 -33.4815 -33.2246 -33.2151 -33.2052 -33.2021 -33.1985 -33.1984 -33.1890 -33.1880 -10.6390 -10.6382 -10.1934 -10.1914 2.5115 2.5117 2.8927 2.9018 3.1610 3.1749 3.8273 3.8300 4.3389 4.3393 4.6417 4.6458 12.4321 12.4333 14.2332 14.2343 15.2515 15.2526 16.7287 16.7375 k = 0.2083 0.3608-0.0000 ( 2339 PWs) bands (ev): -66.5334 -66.5334 -66.5305 -66.5305 -33.5006 -33.4929 -33.4843 -33.4810 -33.2248 -33.2154 -33.2046 -33.2016 -33.1981 -33.1979 -33.1886 -33.1876 -10.6586 -10.6578 -10.1932 -10.1911 2.5461 2.5462 2.8626 2.8701 3.1628 3.1751 3.8576 3.8602 4.3612 4.3615 4.6698 4.6739 12.3323 12.3334 14.2773 14.2783 15.2961 15.2972 16.7098 16.7185 k = 0.2031 0.3518-0.0000 ( 2341 PWs) bands (ev): -66.5335 -66.5335 -66.5305 -66.5305 -33.5006 -33.4930 -33.4837 -33.4805 -33.2251 -33.2157 -33.2039 -33.2012 -33.1977 -33.1974 -33.1882 -33.1872 -10.6783 -10.6776 -10.1934 -10.1913 2.5832 2.5832 2.8287 2.8347 3.1707 3.1814 3.8872 3.8897 4.3829 4.3832 4.6974 4.7014 12.2304 12.2314 14.3222 14.3231 15.3454 15.3466 16.6788 16.6873 k = 0.1979 0.3428-0.0000 ( 2345 PWs) bands (ev): -66.5336 -66.5336 -66.5305 -66.5305 -33.5006 -33.4930 -33.4832 -33.4800 -33.2253 -33.2160 -33.2032 -33.2007 -33.1973 -33.1968 -33.1878 -33.1868 -10.6983 -10.6976 -10.1940 -10.1919 2.6227 2.6227 2.7921 2.7968 3.1833 3.1928 3.9160 3.9185 4.4040 4.4043 4.7244 4.7284 12.1268 12.1278 14.3676 14.3683 15.3994 15.4007 16.6372 16.6454 k = 0.1927 0.3338-0.0000 ( 2345 PWs) bands (ev): -66.5337 -66.5337 -66.5305 -66.5305 -33.5006 -33.4930 -33.4826 -33.4795 -33.2255 -33.2163 -33.2025 -33.2002 -33.1969 -33.1962 -33.1875 -33.1864 -10.7183 -10.7177 -10.1949 -10.1929 2.6646 2.6647 2.7537 2.7573 3.1999 3.2083 3.9441 3.9465 4.4245 4.4248 4.7509 4.7548 12.0217 12.0227 14.4133 14.4139 15.4579 15.4594 16.5870 16.5947 k = 0.1875 0.3248-0.0000 ( 2347 PWs) bands (ev): -66.5338 -66.5338 -66.5305 -66.5305 -33.5006 -33.4931 -33.4821 -33.4790 -33.2257 -33.2165 -33.2018 -33.1997 -33.1964 -33.1956 -33.1871 -33.1860 -10.7385 -10.7379 -10.1962 -10.1942 2.7086 2.7090 2.7145 2.7169 3.2198 3.2273 3.9714 3.9737 4.4443 4.4446 4.7768 4.7805 11.9153 11.9162 14.4591 14.4595 15.5210 15.5225 16.5299 16.5371 k = 0.1823 0.3157-0.0000 ( 2349 PWs) bands (ev): -66.5339 -66.5339 -66.5305 -66.5305 -33.5005 -33.4931 -33.4815 -33.4785 -33.2258 -33.2168 -33.2011 -33.1992 -33.1960 -33.1950 -33.1867 -33.1856 -10.7588 -10.7582 -10.1979 -10.1958 2.6740 2.6760 2.7555 2.7557 3.2426 3.2493 3.9979 4.0001 4.4635 4.4638 4.8020 4.8057 11.8078 11.8087 14.5046 14.5047 15.5884 15.5901 16.4677 16.4742 k = 0.1771 0.3067-0.0000 ( 2349 PWs) bands (ev): -66.5340 -66.5340 -66.5305 -66.5305 -33.5005 -33.4931 -33.4809 -33.4780 -33.2259 -33.2171 -33.2004 -33.1987 -33.1956 -33.1944 -33.1863 -33.1852 -10.7790 -10.7785 -10.1999 -10.1978 2.6335 2.6348 2.8044 2.8046 3.2680 3.2741 4.0235 4.0256 4.4820 4.4822 4.8266 4.8302 11.6995 11.7003 14.5493 14.5494 15.6602 15.6619 16.4018 16.4077 k = 0.1719 0.2977-0.0000 ( 2349 PWs) bands (ev): -66.5341 -66.5341 -66.5305 -66.5305 -33.5004 -33.4931 -33.4803 -33.4775 -33.2261 -33.2173 -33.1997 -33.1982 -33.1951 -33.1938 -33.1859 -33.1848 -10.7993 -10.7987 -10.2022 -10.2001 2.5929 2.5938 2.8555 2.8558 3.2957 3.3013 4.0483 4.0502 4.4997 4.5000 4.8505 4.8540 11.5903 11.5911 14.5928 14.5933 15.7363 15.7381 16.3335 16.3387 k = 0.1667 0.2887-0.0000 ( 2357 PWs) bands (ev): -66.5342 -66.5342 -66.5305 -66.5305 -33.5004 -33.4932 -33.4797 -33.4770 -33.2262 -33.2176 -33.1990 -33.1977 -33.1946 -33.1932 -33.1855 -33.1845 -10.8195 -10.8190 -10.2048 -10.2027 2.5524 2.5529 2.9086 2.9090 3.3254 3.3306 4.0721 4.0740 4.5167 4.5169 4.8737 4.8771 11.4806 11.4814 14.6347 14.6356 15.8165 15.8184 16.2640 16.2684 k = 0.1615 0.2797-0.0000 ( 2357 PWs) bands (ev): -66.5343 -66.5343 -66.5304 -66.5304 -33.5003 -33.4932 -33.4791 -33.4764 -33.2263 -33.2178 -33.1983 -33.1972 -33.1942 -33.1926 -33.1851 -33.1841 -10.8396 -10.8391 -10.2076 -10.2056 2.5123 2.5125 2.9638 2.9643 3.3570 3.3618 4.0950 4.0969 4.5330 4.5332 4.8962 4.8995 11.3705 11.3712 14.6746 14.6760 15.9009 15.9029 16.1943 16.1980 k = 0.1562 0.2706-0.0000 ( 2357 PWs) bands (ev): -66.5344 -66.5344 -66.5304 -66.5304 -33.5002 -33.4932 -33.4785 -33.4759 -33.2263 -33.2181 -33.1976 -33.1967 -33.1937 -33.1920 -33.1847 -33.1837 -10.8595 -10.8590 -10.2107 -10.2087 2.4726 2.4727 3.0210 3.0215 3.3904 3.3949 4.1171 4.1188 4.5486 4.5488 4.9180 4.9212 11.2601 11.2608 14.7118 14.7137 15.9894 15.9915 16.1255 16.1283 k = 0.1510 0.2616-0.0000 ( 2361 PWs) bands (ev): -66.5345 -66.5345 -66.5305 -66.5305 -33.5002 -33.4933 -33.4779 -33.4754 -33.2264 -33.2183 -33.1970 -33.1962 -33.1932 -33.1914 -33.1843 -33.1833 -10.8792 -10.8788 -10.2140 -10.2120 2.4333 2.4336 3.0799 3.0804 3.4253 3.4295 4.1383 4.1399 4.5634 4.5636 4.9390 4.9422 11.1496 11.1502 14.7456 14.7481 16.0587 16.0605 16.0819 16.0842 k = 0.1458 0.2526-0.0000 ( 2365 PWs) bands (ev): -66.5346 -66.5346 -66.5305 -66.5305 -33.5001 -33.4934 -33.4772 -33.4749 -33.2265 -33.2186 -33.1963 -33.1956 -33.1927 -33.1908 -33.1839 -33.1829 -10.8988 -10.8983 -10.2175 -10.2156 2.3947 2.3952 3.1405 3.1411 3.4616 3.4656 4.1585 4.1601 4.5774 4.5776 4.9593 4.9624 11.0391 11.0397 14.7751 14.7782 15.9950 15.9959 16.1783 16.1806 k = 0.1406 0.2436-0.0000 ( 2365 PWs) bands (ev): -66.5347 -66.5347 -66.5305 -66.5305 -33.5000 -33.4934 -33.4766 -33.4744 -33.2265 -33.2188 -33.1956 -33.1951 -33.1922 -33.1902 -33.1835 -33.1825 -10.9180 -10.9176 -10.2212 -10.2193 2.3569 2.3575 3.2026 3.2033 3.4991 3.5030 4.1779 4.1794 4.5907 4.5909 4.9789 4.9820 10.9288 10.9293 14.7993 14.8031 15.9355 15.9356 16.2787 16.2811 k = 0.1354 0.2345-0.0000 ( 2365 PWs) bands (ev): -66.5348 -66.5348 -66.5305 -66.5305 -33.4999 -33.4934 -33.4761 -33.4739 -33.2265 -33.2190 -33.1950 -33.1946 -33.1917 -33.1896 -33.1831 -33.1821 -10.9370 -10.9366 -10.2250 -10.2231 2.3200 2.3208 3.2661 3.2668 3.5378 3.5414 4.1965 4.1979 4.6033 4.6034 4.9977 5.0007 10.8187 10.8192 14.8170 14.8217 15.8806 15.8817 16.3829 16.3853 k = 0.1302 0.2255-0.0000 ( 2365 PWs) bands (ev): -66.5349 -66.5349 -66.5305 -66.5305 -33.4998 -33.4935 -33.4755 -33.4734 -33.2265 -33.2192 -33.1944 -33.1941 -33.1912 -33.1891 -33.1827 -33.1817 -10.9556 -10.9552 -10.2289 -10.2271 2.2840 2.2849 3.3309 3.3316 3.5774 3.5808 4.2143 4.2157 4.6151 4.6152 5.0158 5.0187 10.7092 10.7096 14.8272 14.8327 15.8326 15.8348 16.4908 16.4933 k = 0.1250 0.2165-0.0000 ( 2365 PWs) bands (ev): -66.5350 -66.5350 -66.5305 -66.5305 -33.4996 -33.4935 -33.4749 -33.4729 -33.2265 -33.2195 -33.1938 -33.1935 -33.1906 -33.1886 -33.1822 -33.1814 -10.9738 -10.9735 -10.2329 -10.2312 2.2491 2.2500 3.3967 3.3975 3.6178 3.6211 4.2313 4.2326 4.6261 4.6262 5.0331 5.0360 10.6003 10.6007 14.8289 14.8352 15.7926 15.7959 16.6023 16.6049 k = 0.1198 0.2075-0.0000 ( 2369 PWs) bands (ev): -66.5351 -66.5351 -66.5305 -66.5305 -33.4995 -33.4935 -33.4743 -33.4725 -33.2265 -33.2197 -33.1932 -33.1930 -33.1901 -33.1881 -33.1818 -33.1810 -10.9916 -10.9913 -10.2370 -10.2353 2.2152 2.2162 3.4633 3.4641 3.6587 3.6619 4.2475 4.2488 4.6364 4.6365 5.0496 5.0524 10.4922 10.4926 14.8213 14.8283 15.7616 15.7657 16.7174 16.7201 k = 0.1146 0.1985-0.0000 ( 2361 PWs) bands (ev): -66.5352 -66.5352 -66.5305 -66.5305 -33.4994 -33.4936 -33.4738 -33.4720 -33.2264 -33.2199 -33.1926 -33.1925 -33.1896 -33.1876 -33.1813 -33.1806 -11.0089 -11.0086 -10.2412 -10.2395 2.1824 2.1834 3.5306 3.5315 3.7002 3.7032 4.2632 4.2644 4.6460 4.6462 5.0654 5.0681 10.3851 10.3854 14.8045 14.8120 15.7398 15.7447 16.8361 16.8387 k = 0.1094 0.1894-0.0000 ( 2361 PWs) bands (ev): -66.5353 -66.5353 -66.5305 -66.5305 -33.4992 -33.4936 -33.4732 -33.4715 -33.2264 -33.2201 -33.1921 -33.1920 -33.1891 -33.1872 -33.1809 -33.1802 -11.0257 -11.0255 -10.2453 -10.2437 2.1508 2.1518 3.5982 3.5992 3.7418 3.7447 4.2782 4.2794 4.6548 4.6550 5.0804 5.0831 10.2792 10.2795 14.7788 14.7866 15.7269 15.7323 16.9580 16.9607 k = 0.1042 0.1804-0.0000 ( 2361 PWs) bands (ev): -66.5354 -66.5354 -66.5305 -66.5305 -33.4991 -33.4937 -33.4727 -33.4711 -33.2263 -33.2203 -33.1916 -33.1915 -33.1886 -33.1868 -33.1804 -33.1798 -11.0421 -11.0418 -10.2495 -10.2479 2.1203 2.1214 3.6660 3.6669 3.7836 3.7863 4.2927 4.2939 4.6629 4.6630 5.0946 5.0973 10.1747 10.1749 14.7453 14.7532 15.7221 15.7278 17.0832 17.0859 k = 0.0990 0.1714-0.0000 ( 2361 PWs) bands (ev): -66.5355 -66.5355 -66.5305 -66.5305 -33.4989 -33.4938 -33.4722 -33.4707 -33.2262 -33.2205 -33.1911 -33.1910 -33.1881 -33.1864 -33.1800 -33.1794 -11.0578 -11.0576 -10.2536 -10.2521 2.0911 2.0922 3.7335 3.7344 3.8252 3.8278 4.3068 4.3080 4.6702 4.6704 5.1081 5.1108 10.0718 10.0720 14.7054 14.7133 15.7240 15.7298 17.2114 17.2142 k = 0.0938 0.1624-0.0000 ( 2357 PWs) bands (ev): -66.5355 -66.5355 -66.5305 -66.5305 -33.4988 -33.4938 -33.4717 -33.4703 -33.2262 -33.2207 -33.1906 -33.1906 -33.1877 -33.1861 -33.1795 -33.1790 -11.0729 -11.0727 -10.2577 -10.2562 2.0632 2.0643 3.8004 3.8013 3.8666 3.8691 4.3207 4.3218 4.6769 4.6771 5.1209 5.1235 9.9708 9.9710 14.6606 14.6683 15.7313 15.7371 17.3426 17.3453 k = 0.0885 0.1534-0.0000 ( 2361 PWs) bands (ev): -66.5356 -66.5356 -66.5305 -66.5305 -33.4986 -33.4939 -33.4712 -33.4699 -33.2261 -33.2209 -33.1901 -33.1901 -33.1873 -33.1858 -33.1791 -33.1787 -11.0874 -11.0873 -10.2617 -10.2603 2.0366 2.0377 3.8661 3.8670 3.9077 3.9099 4.3345 4.3357 4.6828 4.6829 5.1328 5.1353 9.8719 9.8721 14.6124 14.6199 15.7425 15.7482 17.4765 17.4792 k = 0.0833 0.1443-0.0000 ( 2365 PWs) bands (ev): -66.5357 -66.5357 -66.5305 -66.5305 -33.4985 -33.4940 -33.4708 -33.4696 -33.2260 -33.2211 -33.1897 -33.1897 -33.1869 -33.1855 -33.1787 -33.1783 -11.1013 -11.1011 -10.2656 -10.2643 2.0114 2.0124 3.9300 3.9306 3.9484 3.9503 4.3486 4.3498 4.6880 4.6881 5.1440 5.1465 9.7754 9.7755 14.5621 14.5692 15.7566 15.7621 17.6128 17.6155 k = 0.0781 0.1353-0.0000 ( 2361 PWs) bands (ev): -66.5358 -66.5358 -66.5305 -66.5305 -33.4983 -33.4940 -33.4704 -33.4692 -33.2259 -33.2212 -33.1893 -33.1892 -33.1865 -33.1852 -33.1783 -33.1780 -11.1144 -11.1143 -10.2693 -10.2681 1.9875 1.9885 3.9847 3.9868 3.9946 3.9955 4.3634 4.3646 4.6926 4.6927 5.1545 5.1570 9.6816 9.6817 14.5109 14.5176 15.7726 15.7778 17.7514 17.7541 k = 0.0729 0.1263-0.0000 ( 2357 PWs) bands (ev): -66.5358 -66.5358 -66.5305 -66.5305 -33.4981 -33.4941 -33.4699 -33.4689 -33.2257 -33.2214 -33.1888 -33.1888 -33.1862 -33.1850 -33.1778 -33.1776 -11.1269 -11.1267 -10.2730 -10.2718 1.9651 1.9660 4.0244 4.0265 4.0518 4.0528 4.3793 4.3806 4.6965 4.6966 5.1643 5.1667 9.5909 9.5910 14.4598 14.4660 15.7895 15.7944 17.8920 17.8947 k = 0.0677 0.1173-0.0000 ( 2349 PWs) bands (ev): -66.5359 -66.5359 -66.5305 -66.5305 -33.4979 -33.4941 -33.4696 -33.4686 -33.2256 -33.2216 -33.1884 -33.1884 -33.1858 -33.1848 -33.1774 -33.1772 -11.1386 -11.1384 -10.2764 -10.2753 1.9441 1.9450 4.0616 4.0636 4.1061 4.1070 4.3972 4.3986 4.6997 4.6999 5.1734 5.1757 9.5036 9.5037 14.4095 14.4153 15.8069 15.8115 18.0341 18.0368 k = 0.0625 0.1083-0.0000 ( 2349 PWs) bands (ev): -66.5359 -66.5359 -66.5305 -66.5305 -33.4978 -33.4943 -33.4692 -33.4683 -33.2255 -33.2218 -33.1881 -33.1881 -33.1855 -33.1846 -33.1770 -33.1769 -11.1495 -11.1494 -10.2797 -10.2787 1.9246 1.9254 4.0971 4.0990 4.1551 4.1559 4.4178 4.4192 4.7023 4.7025 5.1817 5.1840 9.4202 9.4202 14.3607 14.3660 15.8241 15.8284 18.1775 18.1801 k = 0.0573 0.0992-0.0000 ( 2349 PWs) bands (ev): -66.5360 -66.5360 -66.5305 -66.5305 -33.4976 -33.4944 -33.4688 -33.4680 -33.2254 -33.2219 -33.1877 -33.1877 -33.1853 -33.1844 -33.1767 -33.1766 -11.1596 -11.1595 -10.2828 -10.2819 1.9065 1.9073 4.1309 4.1327 4.1975 4.1981 4.4418 4.4435 4.7043 4.7045 5.1894 5.1916 9.3409 9.3409 14.3140 14.3189 15.8409 15.8448 18.3214 18.3239 k = 0.0521 0.0902-0.0000 ( 2349 PWs) bands (ev): -66.5360 -66.5360 -66.5305 -66.5305 -33.4974 -33.4945 -33.4685 -33.4678 -33.2253 -33.2221 -33.1874 -33.1874 -33.1850 -33.1843 -33.1763 -33.1763 -11.1690 -11.1689 -10.2857 -10.2848 1.8899 1.8907 4.1628 4.1644 4.2326 4.2330 4.4698 4.4715 4.7058 4.7059 5.1963 5.1984 9.2663 9.2663 14.2699 14.2743 15.8569 15.8605 18.4651 18.4676 k = 0.0469 0.0812-0.0000 ( 2353 PWs) bands (ev): -66.5361 -66.5361 -66.5306 -66.5306 -33.4973 -33.4946 -33.4682 -33.4676 -33.2251 -33.2223 -33.1871 -33.1871 -33.1848 -33.1842 -33.1761 -33.1760 -11.1775 -11.1774 -10.2883 -10.2876 1.8749 1.8756 4.1925 4.1939 4.2603 4.2607 4.5010 4.5028 4.7067 4.7069 5.2025 5.2046 9.1968 9.1968 14.2288 14.2329 15.8719 15.8751 18.6080 18.6103 k = 0.0417 0.0722-0.0000 ( 2357 PWs) bands (ev): -66.5361 -66.5361 -66.5306 -66.5306 -33.4971 -33.4947 -33.4680 -33.4674 -33.2250 -33.2225 -33.1869 -33.1869 -33.1847 -33.1841 -33.1758 -33.1757 -11.1851 -11.1850 -10.2908 -10.2901 1.8614 1.8620 4.2197 4.2210 4.2817 4.2820 4.5342 4.5360 4.7072 4.7074 5.2081 5.2100 9.1328 9.1328 14.1912 14.1948 15.8856 15.8885 18.7487 18.7509 k = 0.0365 0.0631-0.0000 ( 2353 PWs) bands (ev): -66.5362 -66.5362 -66.5306 -66.5306 -33.4969 -33.4948 -33.4677 -33.4672 -33.2249 -33.2227 -33.1866 -33.1866 -33.1845 -33.1840 -33.1755 -33.1755 -11.1919 -11.1918 -10.2929 -10.2923 1.8495 1.8500 4.2443 4.2455 4.2982 4.2984 4.5676 4.5693 4.7074 4.7076 5.2130 5.2148 9.0749 9.0750 14.1573 14.1604 15.8980 15.9005 18.8860 18.8880 k = 0.0312 0.0541-0.0000 ( 2351 PWs) bands (ev): -66.5362 -66.5362 -66.5306 -66.5306 -33.4968 -33.4950 -33.4675 -33.4671 -33.2247 -33.2228 -33.1864 -33.1864 -33.1844 -33.1839 -33.1753 -33.1753 -11.1978 -11.1977 -10.2948 -10.2942 1.8392 1.8396 4.2661 4.2671 4.3109 4.3111 4.5994 4.6011 4.7074 4.7076 5.2173 5.2189 9.0236 9.0236 14.1275 14.1301 15.9090 15.9111 19.0176 19.0195 k = 0.0260 0.0451-0.0000 ( 2355 PWs) bands (ev): -66.5362 -66.5362 -66.5306 -66.5306 -33.4966 -33.4951 -33.4673 -33.4669 -33.2246 -33.2230 -33.1862 -33.1862 -33.1843 -33.1839 -33.1751 -33.1751 -11.2028 -11.2028 -10.2964 -10.2959 1.8304 1.8307 4.2845 4.2854 4.3209 4.3211 4.6282 4.6297 4.7073 4.7075 5.2208 5.2223 8.9792 8.9792 14.1018 14.1040 15.9184 15.9202 19.1411 19.1427 k = 0.0208 0.0361-0.0000 ( 2359 PWs) bands (ev): -66.5362 -66.5362 -66.5306 -66.5306 -33.4965 -33.4952 -33.4672 -33.4669 -33.2244 -33.2232 -33.1861 -33.1861 -33.1842 -33.1839 -33.1750 -33.1750 -11.2069 -11.2069 -10.2977 -10.2973 1.8232 1.8235 4.2994 4.3001 4.3291 4.3292 4.6526 4.6539 4.7074 4.7076 5.2237 5.2249 8.9422 8.9422 14.0806 14.0824 15.9262 15.9276 19.2529 19.2543 k = 0.0156 0.0271-0.0000 ( 2359 PWs) bands (ev): -66.5363 -66.5363 -66.5306 -66.5306 -33.4963 -33.4954 -33.4670 -33.4668 -33.2243 -33.2233 -33.1859 -33.1859 -33.1841 -33.1839 -33.1749 -33.1748 -11.2102 -11.2101 -10.2987 -10.2984 1.8176 1.8178 4.3104 4.3109 4.3359 4.3360 4.6717 4.6727 4.7083 4.7085 5.2260 5.2269 8.9130 8.9130 14.0640 14.0653 15.9323 15.9334 19.3486 19.3497 k = 0.0104 0.0180-0.0000 ( 2347 PWs) bands (ev): -66.5363 -66.5363 -66.5306 -66.5306 -33.4961 -33.4955 -33.4669 -33.4668 -33.2241 -33.2235 -33.1858 -33.1858 -33.1841 -33.1839 -33.1747 -33.1747 -11.2125 -11.2124 -10.2994 -10.2992 1.8137 1.8138 4.3177 4.3181 4.3414 4.3415 4.6843 4.6850 4.7105 4.7107 5.2277 5.2284 8.8919 8.8919 14.0521 14.0530 15.9368 15.9375 19.4229 19.4237 k = 0.0052 0.0090-0.0000 ( 2353 PWs) bands (ev): -66.5363 -66.5363 -66.5306 -66.5306 -33.4959 -33.4956 -33.4669 -33.4668 -33.2240 -33.2236 -33.1857 -33.1857 -33.1840 -33.1840 -33.1747 -33.1747 -11.2139 -11.2138 -10.2998 -10.2997 1.8113 1.8114 4.3218 4.3219 4.3450 4.3450 4.6903 4.6906 4.7135 4.7135 5.2288 5.2291 8.8792 8.8792 14.0450 14.0455 15.9396 15.9399 19.4692 19.4696 k = 0.0000 0.0000 0.0000 ( 2357 PWs) bands (ev): -66.5363 -66.5363 -66.5306 -66.5306 -33.4958 -33.4958 -33.4668 -33.4668 -33.2238 -33.2238 -33.1857 -33.1857 -33.1840 -33.1840 -33.1747 -33.1747 -11.2143 -11.2143 -10.2999 -10.2999 1.8105 1.8105 4.3230 4.3230 4.3462 4.3462 4.6920 4.6920 4.7149 4.7149 5.2292 5.2292 8.8749 8.8749 14.0428 14.0428 15.9406 15.9406 19.4814 19.4814 k = 0.0000 0.0000 0.0000 ( 2357 PWs) bands (ev): -66.5363 -66.5363 -66.5306 -66.5306 -33.4958 -33.4958 -33.4668 -33.4668 -33.2238 -33.2238 -33.1857 -33.1857 -33.1840 -33.1840 -33.1747 -33.1747 -11.2143 -11.2143 -10.2999 -10.2999 1.8105 1.8105 4.3230 4.3230 4.3462 4.3462 4.6920 4.6920 4.7149 4.7149 5.2292 5.2292 8.8749 8.8749 14.0428 14.0428 15.9406 15.9406 19.4814 19.4814 k = 0.0000 0.0000 0.0102 ( 2351 PWs) bands (ev): -66.5363 -66.5363 -66.5306 -66.5306 -33.4958 -33.4958 -33.4668 -33.4668 -33.2238 -33.2238 -33.1857 -33.1857 -33.1840 -33.1840 -33.1747 -33.1747 -11.2138 -11.2138 -10.3005 -10.3005 1.8118 1.8118 4.3232 4.3232 4.3464 4.3464 4.6918 4.6918 4.7147 4.7147 5.2255 5.2255 8.8791 8.8791 14.0378 14.0378 15.9458 15.9458 19.4815 19.4815 k = 0.0000 0.0000 0.0204 ( 2351 PWs) bands (ev): -66.5363 -66.5363 -66.5306 -66.5306 -33.4957 -33.4957 -33.4668 -33.4668 -33.2237 -33.2237 -33.1857 -33.1857 -33.1840 -33.1840 -33.1747 -33.1747 -11.2124 -11.2124 -10.3021 -10.3021 1.8157 1.8157 4.3238 4.3238 4.3470 4.3470 4.6912 4.6912 4.7140 4.7140 5.2140 5.2140 8.8917 8.8917 14.0228 14.0228 15.9613 15.9613 19.4815 19.4815 k = 0.0000 0.0000 0.0306 ( 2351 PWs) bands (ev): -66.5362 -66.5362 -66.5306 -66.5306 -33.4956 -33.4956 -33.4669 -33.4669 -33.2236 -33.2236 -33.1857 -33.1857 -33.1842 -33.1842 -33.1747 -33.1747 -11.2099 -11.2099 -10.3049 -10.3049 1.8223 1.8223 4.3248 4.3248 4.3480 4.3480 4.6900 4.6900 4.7129 4.7129 5.1951 5.1951 8.9124 8.9124 13.9982 13.9982 15.9866 15.9866 19.4815 19.4815 k = 0.0000 0.0000 0.0408 ( 2351 PWs) bands (ev): -66.5362 -66.5362 -66.5307 -66.5307 -33.4956 -33.4956 -33.4670 -33.4670 -33.2235 -33.2235 -33.1857 -33.1857 -33.1843 -33.1843 -33.1747 -33.1747 -11.2065 -11.2065 -10.3088 -10.3088 1.8313 1.8313 4.3262 4.3262 4.3493 4.3493 4.6885 4.6885 4.7114 4.7114 5.1692 5.1692 8.9411 8.9411 13.9648 13.9648 16.0212 16.0212 19.4818 19.4818 k = 0.0000 0.0000 0.0510 ( 2351 PWs) bands (ev): -66.5362 -66.5362 -66.5307 -66.5307 -33.4954 -33.4954 -33.4671 -33.4671 -33.2233 -33.2233 -33.1856 -33.1856 -33.1845 -33.1845 -33.1748 -33.1748 -11.2022 -11.2022 -10.3137 -10.3137 1.8430 1.8430 4.3280 4.3280 4.3511 4.3511 4.6865 4.6865 4.7094 4.7094 5.1363 5.1363 8.9774 8.9774 13.9232 13.9232 16.0643 16.0643 19.4821 19.4821 k = 0.0000 0.0000 0.0612 ( 2357 PWs) bands (ev): -66.5361 -66.5361 -66.5307 -66.5307 -33.4953 -33.4953 -33.4673 -33.4673 -33.2231 -33.2231 -33.1856 -33.1856 -33.1848 -33.1848 -33.1749 -33.1749 -11.1969 -11.1969 -10.3198 -10.3198 1.8572 1.8572 4.3301 4.3301 4.3533 4.3533 4.6840 4.6840 4.7070 4.7070 5.0970 5.0970 9.0207 9.0207 13.8743 13.8743 16.1151 16.1151 19.4826 19.4826 k = 0.0000 0.0000 0.0713 ( 2357 PWs) bands (ev): -66.5361 -66.5361 -66.5308 -66.5308 -33.4950 -33.4950 -33.4675 -33.4675 -33.2228 -33.2228 -33.1855 -33.1855 -33.1851 -33.1851 -33.1749 -33.1749 -11.1907 -11.1907 -10.3269 -10.3269 1.8740 1.8740 4.3327 4.3327 4.3558 4.3558 4.6811 4.6811 4.7042 4.7042 5.0519 5.0519 9.0708 9.0708 13.8190 13.8190 16.1728 16.1728 19.4834 19.4834 k = 0.0000 0.0000 0.0815 ( 2357 PWs) bands (ev): -66.5361 -66.5361 -66.5308 -66.5308 -33.4948 -33.4948 -33.4677 -33.4677 -33.2225 -33.2225 -33.1854 -33.1854 -33.1854 -33.1854 -33.1750 -33.1750 -11.1835 -11.1835 -10.3350 -10.3350 1.8934 1.8934 4.3356 4.3356 4.3587 4.3587 4.6778 4.6778 4.7010 4.7010 5.0015 5.0015 9.1270 9.1270 13.7579 13.7579 16.2367 16.2367 19.4848 19.4848 k = 0.0000 0.0000 0.0917 ( 2357 PWs) bands (ev): -66.5360 -66.5360 -66.5309 -66.5309 -33.4945 -33.4945 -33.4680 -33.4680 -33.2222 -33.2222 -33.1858 -33.1858 -33.1853 -33.1853 -33.1751 -33.1751 -11.1755 -11.1755 -10.3441 -10.3441 1.9154 1.9154 4.3388 4.3388 4.3620 4.3620 4.6741 4.6741 4.6973 4.6973 4.9463 4.9463 9.1889 9.1889 13.6918 13.6918 16.3061 16.3061 19.4867 19.4867 k = 0.0000 0.0000 0.1019 ( 2363 PWs) bands (ev): -66.5359 -66.5359 -66.5309 -66.5309 -33.4943 -33.4943 -33.4682 -33.4682 -33.2219 -33.2219 -33.1862 -33.1862 -33.1852 -33.1852 -33.1753 -33.1753 -11.1665 -11.1665 -10.3542 -10.3542 1.9396 1.9396 4.3425 4.3425 4.3656 4.3656 4.6699 4.6699 4.6933 4.6933 4.8867 4.8867 9.2559 9.2559 13.6213 13.6213 16.3804 16.3804 19.4892 19.4892 k = 0.0000 0.0000 0.1121 ( 2363 PWs) bands (ev): -66.5359 -66.5359 -66.5310 -66.5310 -33.4939 -33.4939 -33.4686 -33.4686 -33.2215 -33.2215 -33.1867 -33.1867 -33.1851 -33.1851 -33.1754 -33.1754 -11.1567 -11.1567 -10.3653 -10.3653 1.9666 1.9666 4.3465 4.3465 4.3696 4.3696 4.6651 4.6651 4.6889 4.6889 4.8234 4.8234 9.3276 9.3276 13.5470 13.5470 16.4592 16.4592 19.4927 19.4927 k = 0.0000 0.0000 0.1223 ( 2363 PWs) bands (ev): -66.5358 -66.5358 -66.5311 -66.5311 -33.4935 -33.4935 -33.4689 -33.4689 -33.2210 -33.2210 -33.1872 -33.1872 -33.1850 -33.1850 -33.1755 -33.1755 -11.1460 -11.1460 -10.3773 -10.3773 1.9960 1.9960 4.3509 4.3509 4.3740 4.3740 4.6595 4.6595 4.6842 4.6842 4.7572 4.7572 9.4035 9.4035 13.4693 13.4693 16.5421 16.5421 19.4970 19.4970 k = 0.0000 0.0000 0.1325 ( 2363 PWs) bands (ev): -66.5357 -66.5357 -66.5311 -66.5311 -33.4931 -33.4931 -33.4693 -33.4693 -33.2205 -33.2205 -33.1878 -33.1878 -33.1848 -33.1848 -33.1757 -33.1757 -11.1345 -11.1345 -10.3903 -10.3903 2.0278 2.0278 4.3557 4.3557 4.3787 4.3787 4.6504 4.6504 4.6790 4.6790 4.6912 4.6912 9.4832 9.4832 13.3886 13.3886 16.6287 16.6287 19.5025 19.5025 k = 0.0000 0.0000 0.1427 ( 2363 PWs) bands (ev): -66.5357 -66.5357 -66.5312 -66.5312 -33.4927 -33.4927 -33.4697 -33.4697 -33.2199 -33.2199 -33.1884 -33.1884 -33.1847 -33.1847 -33.1758 -33.1758 -11.1221 -11.1221 -10.4040 -10.4040 2.0621 2.0621 4.3607 4.3607 4.3838 4.3838 4.6076 4.6076 4.6559 4.6559 4.6736 4.6736 9.5663 9.5663 13.3052 13.3052 16.7187 16.7187 19.5091 19.5091 k = 0.0000 0.0000 0.1529 ( 2351 PWs) bands (ev): -66.5356 -66.5356 -66.5313 -66.5313 -33.4922 -33.4922 -33.4701 -33.4701 -33.2193 -33.2193 -33.1890 -33.1890 -33.1844 -33.1844 -33.1760 -33.1760 -11.1089 -11.1089 -10.4186 -10.4186 2.0988 2.0988 4.3661 4.3661 4.3892 4.3892 4.5359 4.5359 4.6472 4.6472 4.6678 4.6678 9.6524 9.6524 13.2194 13.2194 16.8119 16.8119 19.5172 19.5172 k = 0.0000 0.0000 0.1631 ( 2351 PWs) bands (ev): -66.5355 -66.5355 -66.5314 -66.5314 -33.4917 -33.4917 -33.4705 -33.4705 -33.2187 -33.2187 -33.1896 -33.1896 -33.1843 -33.1843 -33.1761 -33.1761 -11.0950 -11.0950 -10.4340 -10.4340 2.1379 2.1379 4.3718 4.3718 4.3949 4.3949 4.4603 4.4603 4.6404 4.6404 4.6617 4.6617 9.7412 9.7412 13.1315 13.1315 16.9081 16.9081 19.5266 19.5266 k = 0.0000 0.0000 0.1733 ( 2351 PWs) bands (ev): -66.5354 -66.5354 -66.5315 -66.5315 -33.4912 -33.4912 -33.4710 -33.4710 -33.2181 -33.2181 -33.1903 -33.1903 -33.1841 -33.1841 -33.1763 -33.1763 -11.0803 -11.0803 -10.4502 -10.4502 2.1792 2.1792 4.3778 4.3778 4.3827 4.3827 4.4008 4.4008 4.6336 4.6336 4.6553 4.6553 9.8324 9.8324 13.0417 13.0417 17.0071 17.0071 19.5375 19.5375 k = 0.0000 0.0000 0.1835 ( 2350 PWs) bands (ev): -66.5353 -66.5353 -66.5316 -66.5316 -33.4907 -33.4907 -33.4715 -33.4715 -33.2174 -33.2174 -33.1911 -33.1911 -33.1839 -33.1839 -33.1765 -33.1765 -11.0650 -11.0650 -10.4670 -10.4670 2.2229 2.2229 4.3038 4.3038 4.3841 4.3841 4.4071 4.4071 4.6267 4.6267 4.6486 4.6486 9.9257 9.9257 12.9501 12.9501 17.1088 17.1088 19.5502 19.5502 k = 0.0000 0.0000 0.1937 ( 2338 PWs) bands (ev): -66.5352 -66.5352 -66.5317 -66.5317 -33.4901 -33.4901 -33.4720 -33.4720 -33.2167 -33.2167 -33.1919 -33.1919 -33.1836 -33.1836 -33.1767 -33.1767 -11.0489 -11.0489 -10.4845 -10.4845 2.2687 2.2687 4.2239 4.2239 4.3909 4.3909 4.4139 4.4139 4.6196 4.6196 4.6416 4.6416 10.0209 10.0209 12.8570 12.8570 17.2130 17.2130 19.5649 19.5649 k = 0.0000 0.0000 0.2039 ( 2326 PWs) bands (ev): -66.5350 -66.5350 -66.5318 -66.5318 -33.4895 -33.4895 -33.4725 -33.4725 -33.2159 -33.2159 -33.1926 -33.1926 -33.1834 -33.1834 -33.1769 -33.1769 -11.0322 -11.0322 -10.5026 -10.5026 2.3169 2.3169 4.1435 4.1435 4.3977 4.3977 4.4207 4.4207 4.6123 4.6123 4.6344 4.6344 10.1177 10.1177 12.7625 12.7625 17.3200 17.3200 19.5811 19.5811 k = 0.0000 0.0000 0.2140 ( 2326 PWs) bands (ev): -66.5349 -66.5349 -66.5319 -66.5319 -33.4889 -33.4889 -33.4731 -33.4731 -33.2151 -33.2151 -33.1934 -33.1934 -33.1831 -33.1831 -33.1771 -33.1771 -11.0148 -11.0148 -10.5213 -10.5213 2.3672 2.3672 4.0626 4.0626 4.4048 4.4048 4.4278 4.4278 4.6047 4.6047 4.6269 4.6269 10.2159 10.2159 12.6666 12.6666 17.4289 17.4289 19.5993 19.5993 k = 0.0000 0.0000 0.2242 ( 2326 PWs) bands (ev): -66.5348 -66.5348 -66.5320 -66.5320 -33.4883 -33.4883 -33.4736 -33.4736 -33.2143 -33.2143 -33.1943 -33.1943 -33.1829 -33.1829 -33.1773 -33.1773 -10.9969 -10.9969 -10.5406 -10.5406 2.4196 2.4196 3.9814 3.9814 4.4121 4.4121 4.4350 4.4350 4.5970 4.5970 4.6192 4.6192 10.3153 10.3153 12.5695 12.5695 17.5401 17.5401 19.6194 19.6194 k = 0.0000 0.0000 0.2344 ( 2338 PWs) bands (ev): -66.5347 -66.5347 -66.5321 -66.5321 -33.4877 -33.4877 -33.4743 -33.4743 -33.2135 -33.2135 -33.1952 -33.1952 -33.1827 -33.1827 -33.1776 -33.1776 -10.9785 -10.9785 -10.5603 -10.5603 2.4741 2.4741 3.9002 3.9002 4.4196 4.4196 4.4425 4.4425 4.5890 4.5890 4.6113 4.6113 10.4158 10.4158 12.4714 12.4714 17.6533 17.6533 19.6415 19.6415 k = 0.0000 0.0000 0.2446 ( 2338 PWs) bands (ev): -66.5346 -66.5346 -66.5322 -66.5322 -33.4870 -33.4870 -33.4749 -33.4749 -33.2127 -33.2127 -33.1961 -33.1961 -33.1825 -33.1825 -33.1778 -33.1778 -10.9595 -10.9595 -10.5804 -10.5804 2.5306 2.5306 3.8192 3.8192 4.4274 4.4274 4.4502 4.4502 4.5809 4.5809 4.6033 4.6033 10.5172 10.5172 12.3722 12.3722 17.7685 17.7685 19.6658 19.6658 k = 0.0000 0.0000 0.2548 ( 2338 PWs) bands (ev): -66.5345 -66.5345 -66.5324 -66.5324 -33.4864 -33.4864 -33.4755 -33.4755 -33.2119 -33.2119 -33.1970 -33.1970 -33.1822 -33.1822 -33.1781 -33.1781 -10.9400 -10.9400 -10.6009 -10.6009 2.5890 2.5890 3.7385 3.7385 4.4353 4.4353 4.4581 4.4581 4.5726 4.5726 4.5950 4.5950 10.6194 10.6194 12.2722 12.2722 17.8856 17.8856 19.6921 19.6921 k = 0.0000 0.0000 0.2650 ( 2338 PWs) bands (ev): -66.5343 -66.5343 -66.5325 -66.5325 -33.4857 -33.4857 -33.4762 -33.4762 -33.2110 -33.2110 -33.1979 -33.1979 -33.1820 -33.1820 -33.1783 -33.1783 -10.9202 -10.9202 -10.6217 -10.6217 2.6494 2.6494 3.6583 3.6583 4.4434 4.4434 4.4662 4.4662 4.5642 4.5642 4.5867 4.5867 10.7222 10.7222 12.1714 12.1714 18.0044 18.0044 19.7192 19.7192 k = 0.0000 0.0000 0.2752 ( 2326 PWs) bands (ev): -66.5342 -66.5342 -66.5326 -66.5326 -33.4850 -33.4850 -33.4767 -33.4767 -33.2101 -33.2101 -33.1987 -33.1987 -33.1817 -33.1817 -33.1785 -33.1785 -10.8999 -10.8999 -10.6429 -10.6429 2.7117 2.7117 3.5788 3.5788 4.4516 4.4516 4.4744 4.4744 4.5558 4.5558 4.5783 4.5783 10.8256 10.8256 12.0699 12.0699 18.1250 18.1250 19.6358 19.6358 k = 0.0000 0.0000 0.2854 ( 2314 PWs) bands (ev): -66.5341 -66.5341 -66.5327 -66.5327 -33.4843 -33.4843 -33.4774 -33.4774 -33.2091 -33.2091 -33.1996 -33.1996 -33.1814 -33.1814 -33.1788 -33.1788 -10.8793 -10.8793 -10.6642 -10.6642 2.7759 2.7759 3.5000 3.5000 4.4601 4.4601 4.4828 4.4828 4.5472 4.5472 4.5697 4.5697 10.9293 10.9293 11.9678 11.9678 18.2471 18.2471 19.5107 19.5107 k = 0.0000 0.0000 0.2956 ( 2320 PWs) bands (ev): -66.5339 -66.5339 -66.5329 -66.5329 -33.4836 -33.4836 -33.4781 -33.4781 -33.2082 -33.2082 -33.2006 -33.2006 -33.1812 -33.1812 -33.1791 -33.1791 -10.8584 -10.8584 -10.6857 -10.6857 2.8417 2.8417 3.4220 3.4220 4.4685 4.4685 4.4913 4.4913 4.5385 4.5385 4.5610 4.5610 11.0333 11.0333 11.8651 11.8651 18.3705 18.3705 19.3841 19.3841 k = 0.0000 0.0000 0.3058 ( 2314 PWs) bands (ev): -66.5338 -66.5338 -66.5330 -66.5330 -33.4829 -33.4829 -33.4788 -33.4788 -33.2072 -33.2072 -33.2016 -33.2016 -33.1809 -33.1809 -33.1793 -33.1793 -10.8372 -10.8372 -10.7074 -10.7074 2.9093 2.9093 3.3450 3.3450 4.4772 4.4772 4.4999 4.4999 4.5298 4.5298 4.5523 4.5523 11.1375 11.1375 11.7619 11.7619 18.4950 18.4950 19.2568 19.2568 k = 0.0000 0.0000 0.3160 ( 2314 PWs) bands (ev): -66.5337 -66.5337 -66.5331 -66.5331 -33.4822 -33.4822 -33.4794 -33.4794 -33.2063 -33.2063 -33.2025 -33.2025 -33.1806 -33.1806 -33.1796 -33.1796 -10.8158 -10.8158 -10.7291 -10.7291 2.9783 2.9783 3.2691 3.2691 4.4859 4.4859 4.5086 4.5086 4.5210 4.5210 4.5436 4.5436 11.2418 11.2418 11.6584 11.6584 18.6206 18.6206 19.1292 19.1292 k = 0.0000 0.0000 0.3262 ( 2314 PWs) bands (ev): -66.5335 -66.5335 -66.5333 -66.5333 -33.4815 -33.4815 -33.4801 -33.4801 -33.2054 -33.2054 -33.2035 -33.2035 -33.1804 -33.1804 -33.1798 -33.1798 -10.7942 -10.7942 -10.7508 -10.7508 3.0489 3.0489 3.1944 3.1944 4.4946 4.4946 4.5122 4.5122 4.5173 4.5173 4.5348 4.5348 11.3462 11.3462 11.5545 11.5545 18.7470 18.7470 19.0016 19.0016 k = 0.0000 0.0000 0.3364 ( 2314 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4808 -33.4808 -33.4808 -33.4808 -33.2044 -33.2044 -33.2044 -33.2044 -33.1801 -33.1801 -33.1801 -33.1801 -10.7726 -10.7726 -10.7726 -10.7726 3.1210 3.1210 3.1210 3.1210 4.5034 4.5034 4.5034 4.5034 4.5260 4.5260 4.5260 4.5260 11.4504 11.4504 11.4504 11.4504 18.8741 18.8741 18.8741 18.8741 k = 0.0000 0.0000 0.3364 ( 2314 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4808 -33.4808 -33.4808 -33.4808 -33.2044 -33.2044 -33.2044 -33.2044 -33.1801 -33.1801 -33.1801 -33.1801 -10.7726 -10.7726 -10.7726 -10.7726 3.1210 3.1210 3.1210 3.1210 4.5034 4.5034 4.5034 4.5034 4.5260 4.5260 4.5260 4.5260 11.4504 11.4504 11.4504 11.4504 18.8741 18.8741 18.8741 18.8741 k = 0.0089 0.0052 0.3364 ( 2322 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4809 -33.4809 -33.4808 -33.4808 -33.2045 -33.2045 -33.2044 -33.2044 -33.1801 -33.1801 -33.1801 -33.1801 -10.7723 -10.7723 -10.7722 -10.7722 3.1203 3.1203 3.1203 3.1203 4.5028 4.5028 4.5029 4.5029 4.5255 4.5255 4.5255 4.5255 11.4521 11.4521 11.4522 11.4522 18.8689 18.8689 18.8703 18.8703 k = 0.0179 0.0103 0.3364 ( 2332 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4810 -33.4810 -33.4808 -33.4808 -33.2046 -33.2046 -33.2044 -33.2044 -33.1802 -33.1802 -33.1802 -33.1802 -10.7713 -10.7713 -10.7713 -10.7713 3.1182 3.1182 3.1183 3.1183 4.5013 4.5013 4.5017 4.5017 4.5241 4.5241 4.5241 4.5241 11.4572 11.4572 11.4576 11.4576 18.8548 18.8548 18.8577 18.8577 k = 0.0268 0.0155 0.3364 ( 2328 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4811 -33.4811 -33.4808 -33.4808 -33.2047 -33.2047 -33.2043 -33.2043 -33.1803 -33.1803 -33.1803 -33.1803 -10.7698 -10.7698 -10.7696 -10.7696 3.1148 3.1148 3.1148 3.1148 4.4991 4.4991 4.4996 4.4996 4.5221 4.5221 4.5221 4.5221 11.4658 11.4658 11.4664 11.4664 18.8321 18.8321 18.8363 18.8363 k = 0.0357 0.0206 0.3364 ( 2328 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4812 -33.4812 -33.4808 -33.4808 -33.2048 -33.2048 -33.2043 -33.2043 -33.1803 -33.1803 -33.1803 -33.1803 -10.7675 -10.7675 -10.7674 -10.7674 3.1099 3.1099 3.1100 3.1100 4.4958 4.4958 4.4965 4.4965 4.5193 4.5193 4.5194 4.5194 11.4778 11.4778 11.4785 11.4785 18.8012 18.8012 18.8066 18.8066 k = 0.0446 0.0258 0.3364 ( 2328 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4813 -33.4813 -33.4808 -33.4808 -33.2049 -33.2049 -33.2043 -33.2043 -33.1804 -33.1804 -33.1804 -33.1804 -10.7647 -10.7647 -10.7645 -10.7645 3.1037 3.1037 3.1038 3.1038 4.4916 4.4916 4.4925 4.4925 4.5159 4.5159 4.5160 4.5160 11.4930 11.4930 11.4940 11.4940 18.7625 18.7625 18.7689 18.7689 k = 0.0536 0.0309 0.3364 ( 2332 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4815 -33.4815 -33.4808 -33.4808 -33.2051 -33.2051 -33.2044 -33.2044 -33.1806 -33.1806 -33.1806 -33.1806 -10.7612 -10.7612 -10.7610 -10.7610 3.0960 3.0960 3.0961 3.0961 4.4865 4.4865 4.4876 4.4876 4.5120 4.5120 4.5122 4.5122 11.5115 11.5115 11.5126 11.5126 18.7166 18.7166 18.7239 18.7239 k = 0.0625 0.0361 0.3364 ( 2336 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4817 -33.4817 -33.4809 -33.4809 -33.2052 -33.2052 -33.2044 -33.2044 -33.1807 -33.1807 -33.1807 -33.1807 -10.7571 -10.7571 -10.7569 -10.7569 3.0868 3.0868 3.0869 3.0869 4.4804 4.4804 4.4816 4.4816 4.5078 4.5078 4.5080 4.5080 11.5331 11.5331 11.5343 11.5343 18.6641 18.6641 18.6720 18.6720 k = 0.0714 0.0412 0.3364 ( 2332 PWs) bands (ev): -66.5333 -66.5333 -66.5333 -66.5333 -33.4818 -33.4818 -33.4810 -33.4810 -33.2054 -33.2054 -33.2045 -33.2045 -33.1809 -33.1809 -33.1808 -33.1808 -10.7524 -10.7524 -10.7522 -10.7522 3.0761 3.0761 3.0762 3.0762 4.4735 4.4735 4.4750 4.4750 4.5032 4.5032 4.5034 4.5034 11.5575 11.5575 11.5589 11.5589 18.6056 18.6056 18.6140 18.6140 k = 0.0804 0.0464 0.3364 ( 2340 PWs) bands (ev): -66.5333 -66.5333 -66.5333 -66.5333 -33.4821 -33.4821 -33.4811 -33.4811 -33.2056 -33.2056 -33.2046 -33.2046 -33.1811 -33.1811 -33.1810 -33.1810 -10.7472 -10.7472 -10.7469 -10.7469 3.0638 3.0638 3.0640 3.0640 4.4659 4.4659 4.4676 4.4676 4.4982 4.4982 4.4985 4.4985 11.5847 11.5847 11.5862 11.5862 18.5418 18.5418 18.5506 18.5506 k = 0.0893 0.0515 0.3364 ( 2344 PWs) bands (ev): -66.5333 -66.5333 -66.5333 -66.5333 -33.4823 -33.4823 -33.4812 -33.4812 -33.2058 -33.2058 -33.2047 -33.2047 -33.1813 -33.1812 -33.1812 -33.1812 -10.7413 -10.7413 -10.7410 -10.7410 3.0500 3.0500 3.0502 3.0502 4.4579 4.4579 4.4596 4.4596 4.4930 4.4930 4.4933 4.4933 11.6145 11.6145 11.6162 11.6162 18.4734 18.4734 18.4824 18.4824 k = 0.0982 0.0567 0.3364 ( 2348 PWs) bands (ev): -66.5333 -66.5333 -66.5333 -66.5333 -33.4825 -33.4825 -33.4813 -33.4813 -33.2061 -33.2061 -33.2048 -33.2048 -33.1815 -33.1815 -33.1814 -33.1814 -10.7349 -10.7349 -10.7345 -10.7345 3.0347 3.0347 3.0348 3.0348 4.4495 4.4495 4.4513 4.4513 4.4874 4.4874 4.4877 4.4877 11.6466 11.6466 11.6484 11.6484 18.4011 18.4011 18.4102 18.4102 k = 0.1071 0.0619 0.3364 ( 2348 PWs) bands (ev): -66.5332 -66.5332 -66.5332 -66.5332 -33.4827 -33.4827 -33.4815 -33.4815 -33.2063 -33.2063 -33.2049 -33.2049 -33.1817 -33.1817 -33.1817 -33.1817 -10.7280 -10.7280 -10.7276 -10.7276 3.0177 3.0177 3.0178 3.0178 4.4409 4.4409 4.4429 4.4429 4.4816 4.4816 4.4819 4.4819 11.6810 11.6810 11.6829 11.6829 18.3255 18.3255 18.3346 18.3346 k = 0.1161 0.0670 0.3364 ( 2350 PWs) bands (ev): -66.5332 -66.5332 -66.5332 -66.5332 -33.4830 -33.4830 -33.4816 -33.4816 -33.2065 -33.2065 -33.2051 -33.2051 -33.1819 -33.1819 -33.1819 -33.1819 -10.7205 -10.7205 -10.7201 -10.7201 2.9991 2.9991 2.9992 2.9992 4.4323 4.4323 4.4344 4.4344 4.4754 4.4754 4.4757 4.4757 11.7173 11.7173 11.7193 11.7193 18.2473 18.2473 18.2563 18.2563 k = 0.1250 0.0722 0.3364 ( 2354 PWs) bands (ev): -66.5332 -66.5332 -66.5332 -66.5332 -33.4832 -33.4832 -33.4818 -33.4818 -33.2068 -33.2068 -33.2053 -33.2053 -33.1822 -33.1822 -33.1821 -33.1821 -10.7125 -10.7125 -10.7121 -10.7121 2.9789 2.9789 2.9790 2.9790 4.4239 4.4239 4.4260 4.4260 4.4689 4.4689 4.4692 4.4692 11.7552 11.7552 11.7573 11.7573 18.1670 18.1670 18.1758 18.1758 k = 0.1339 0.0773 0.3364 ( 2354 PWs) bands (ev): -66.5331 -66.5331 -66.5331 -66.5331 -33.4835 -33.4835 -33.4820 -33.4820 -33.2071 -33.2071 -33.2054 -33.2054 -33.1825 -33.1825 -33.1824 -33.1824 -10.7041 -10.7041 -10.7036 -10.7036 2.9570 2.9570 2.9571 2.9571 4.4157 4.4157 4.4179 4.4179 4.4621 4.4621 4.4624 4.4624 11.7947 11.7947 11.7969 11.7969 18.0852 18.0852 18.0938 18.0938 k = 0.1429 0.0825 0.3364 ( 2354 PWs) bands (ev): -66.5331 -66.5331 -66.5331 -66.5331 -33.4838 -33.4838 -33.4822 -33.4822 -33.2074 -33.2074 -33.2056 -33.2056 -33.1827 -33.1827 -33.1826 -33.1826 -10.6952 -10.6952 -10.6947 -10.6947 2.9337 2.9337 2.9337 2.9337 4.4079 4.4079 4.4102 4.4102 4.4551 4.4551 4.4554 4.4554 11.8355 11.8355 11.8377 11.8377 18.0025 18.0025 18.0107 18.0107 k = 0.1518 0.0876 0.3364 ( 2354 PWs) bands (ev): -66.5331 -66.5331 -66.5331 -66.5331 -33.4841 -33.4841 -33.4824 -33.4824 -33.2077 -33.2077 -33.2059 -33.2058 -33.1830 -33.1830 -33.1829 -33.1829 -10.6859 -10.6859 -10.6853 -10.6853 2.9088 2.9088 2.9088 2.9088 4.4006 4.4006 4.4029 4.4029 4.4478 4.4478 4.4481 4.4481 11.8772 11.8772 11.8795 11.8795 17.9192 17.9192 17.9272 17.9272 k = 0.1607 0.0928 0.3364 ( 2350 PWs) bands (ev): -66.5330 -66.5330 -66.5330 -66.5330 -33.4844 -33.4844 -33.4826 -33.4826 -33.2080 -33.2080 -33.2061 -33.2061 -33.1833 -33.1833 -33.1832 -33.1832 -10.6761 -10.6761 -10.6756 -10.6756 2.8824 2.8824 2.8824 2.8824 4.3940 4.3940 4.3963 4.3963 4.4402 4.4402 4.4406 4.4406 11.9197 11.9197 11.9220 11.9220 17.8360 17.8360 17.8436 17.8436 k = 0.1696 0.0979 0.3364 ( 2350 PWs) bands (ev): -66.5330 -66.5330 -66.5330 -66.5330 -33.4847 -33.4847 -33.4829 -33.4829 -33.2083 -33.2083 -33.2063 -33.2063 -33.1836 -33.1836 -33.1835 -33.1835 -10.6660 -10.6660 -10.6655 -10.6655 2.8546 2.8546 2.8546 2.8546 4.3879 4.3879 4.3903 4.3903 4.4325 4.4325 4.4328 4.4328 11.9628 11.9628 11.9650 11.9650 17.7531 17.7531 17.7603 17.7603 k = 0.1786 0.1031 0.3364 ( 2350 PWs) bands (ev): -66.5329 -66.5329 -66.5329 -66.5329 -33.4850 -33.4850 -33.4831 -33.4831 -33.2086 -33.2086 -33.2066 -33.2066 -33.1839 -33.1839 -33.1837 -33.1837 -10.6556 -10.6556 -10.6550 -10.6550 2.8255 2.8255 2.8255 2.8255 4.3826 4.3826 4.3850 4.3850 4.4246 4.4246 4.4250 4.4250 12.0061 12.0061 12.0083 12.0083 17.6710 17.6710 17.6778 17.6778 k = 0.1875 0.1083 0.3364 ( 2342 PWs) bands (ev): -66.5329 -66.5329 -66.5329 -66.5329 -33.4852 -33.4852 -33.4834 -33.4834 -33.2089 -33.2089 -33.2068 -33.2068 -33.1841 -33.1841 -33.1840 -33.1840 -10.6448 -10.6448 -10.6442 -10.6442 2.7952 2.7952 2.7952 2.7952 4.3779 4.3779 4.3803 4.3803 4.4167 4.4167 4.4170 4.4170 12.0495 12.0495 12.0517 12.0517 17.5900 17.5900 17.5964 17.5964 k = 0.1964 0.1134 0.3364 ( 2342 PWs) bands (ev): -66.5328 -66.5328 -66.5328 -66.5328 -33.4856 -33.4856 -33.4836 -33.4836 -33.2092 -33.2092 -33.2071 -33.2071 -33.1844 -33.1844 -33.1843 -33.1843 -10.6338 -10.6338 -10.6332 -10.6332 2.7637 2.7637 2.7638 2.7638 4.3739 4.3739 4.3763 4.3763 4.4087 4.4087 4.4090 4.4090 12.0927 12.0927 12.0949 12.0949 17.5104 17.5104 17.5163 17.5163 k = 0.2054 0.1186 0.3364 ( 2342 PWs) bands (ev): -66.5328 -66.5328 -66.5328 -66.5328 -33.4859 -33.4859 -33.4839 -33.4839 -33.2096 -33.2096 -33.2074 -33.2074 -33.1847 -33.1847 -33.1846 -33.1846 -10.6225 -10.6225 -10.6219 -10.6219 2.7313 2.7313 2.7314 2.7314 4.3705 4.3705 4.3729 4.3729 4.4007 4.4007 4.4011 4.4011 12.1354 12.1354 12.1376 12.1376 17.4326 17.4326 17.4380 17.4380 k = 0.2143 0.1237 0.3364 ( 2338 PWs) bands (ev): -66.5327 -66.5327 -66.5327 -66.5327 -33.4862 -33.4862 -33.4842 -33.4842 -33.2099 -33.2099 -33.2077 -33.2077 -33.1850 -33.1850 -33.1849 -33.1849 -10.6110 -10.6110 -10.6103 -10.6103 2.6980 2.6980 2.6981 2.6981 4.3675 4.3675 4.3699 4.3699 4.3932 4.3932 4.3935 4.3935 12.1776 12.1776 12.1797 12.1797 17.3567 17.3567 17.3617 17.3617 k = 0.2232 0.1289 0.3364 ( 2342 PWs) bands (ev): -66.5327 -66.5327 -66.5327 -66.5327 -33.4865 -33.4865 -33.4845 -33.4845 -33.2103 -33.2103 -33.2081 -33.2081 -33.1853 -33.1853 -33.1852 -33.1852 -10.5993 -10.5993 -10.5986 -10.5986 2.6639 2.6639 2.6641 2.6641 4.3646 4.3646 4.3667 4.3667 4.3864 4.3864 4.3866 4.3866 12.2189 12.2189 12.2209 12.2209 17.2830 17.2830 17.2876 17.2876 k = 0.2321 0.1340 0.3364 ( 2346 PWs) bands (ev): -66.5327 -66.5327 -66.5327 -66.5327 -33.4869 -33.4869 -33.4849 -33.4849 -33.2107 -33.2107 -33.2084 -33.2084 -33.1856 -33.1856 -33.1855 -33.1855 -10.5875 -10.5875 -10.5868 -10.5868 2.6293 2.6293 2.6295 2.6295 4.3609 4.3609 4.3627 4.3627 4.3811 4.3811 4.3812 4.3812 12.2592 12.2592 12.2611 12.2611 17.2118 17.2118 17.2159 17.2159 k = 0.2411 0.1392 0.3364 ( 2344 PWs) bands (ev): -66.5326 -66.5326 -66.5326 -66.5326 -33.4872 -33.4872 -33.4852 -33.4852 -33.2111 -33.2111 -33.2088 -33.2088 -33.1859 -33.1859 -33.1857 -33.1857 -10.5755 -10.5755 -10.5749 -10.5749 2.5942 2.5942 2.5944 2.5944 4.3557 4.3557 4.3570 4.3570 4.3777 4.3777 4.3784 4.3784 12.2984 12.2984 12.3002 12.3002 17.1432 17.1432 17.1468 17.1468 k = 0.2500 0.1443 0.3364 ( 2344 PWs) bands (ev): -66.5326 -66.5326 -66.5326 -66.5326 -33.4875 -33.4875 -33.4855 -33.4855 -33.2114 -33.2114 -33.2091 -33.2091 -33.1862 -33.1862 -33.1860 -33.1860 -10.5635 -10.5635 -10.5629 -10.5629 2.5588 2.5588 2.5591 2.5591 4.3492 4.3492 4.3500 4.3500 4.3764 4.3764 4.3775 4.3775 12.3362 12.3362 12.3379 12.3379 17.0773 17.0773 17.0805 17.0805 k = 0.2589 0.1495 0.3364 ( 2344 PWs) bands (ev): -66.5325 -66.5325 -66.5325 -66.5325 -33.4878 -33.4878 -33.4858 -33.4858 -33.2118 -33.2118 -33.2095 -33.2095 -33.1865 -33.1865 -33.1863 -33.1863 -10.5515 -10.5515 -10.5508 -10.5508 2.5233 2.5233 2.5235 2.5235 4.3417 4.3417 4.3422 4.3422 4.3768 4.3768 4.3780 4.3780 12.3725 12.3725 12.3740 12.3740 17.0143 17.0143 17.0171 17.0171 k = 0.2679 0.1546 0.3364 ( 2340 PWs) bands (ev): -66.5325 -66.5325 -66.5325 -66.5325 -33.4882 -33.4882 -33.4861 -33.4861 -33.2122 -33.2122 -33.2099 -33.2099 -33.1867 -33.1867 -33.1865 -33.1865 -10.5394 -10.5394 -10.5388 -10.5388 2.4877 2.4877 2.4880 2.4880 4.3337 4.3337 4.3341 4.3341 4.3782 4.3782 4.3796 4.3796 12.4072 12.4072 12.4086 12.4086 16.9544 16.9544 16.9568 16.9568 k = 0.2768 0.1598 0.3364 ( 2346 PWs) bands (ev): -66.5324 -66.5324 -66.5324 -66.5324 -33.4885 -33.4885 -33.4865 -33.4865 -33.2126 -33.2126 -33.2103 -33.2103 -33.1870 -33.1870 -33.1868 -33.1868 -10.5274 -10.5274 -10.5268 -10.5268 2.4523 2.4523 2.4526 2.4526 4.3256 4.3256 4.3259 4.3259 4.3804 4.3804 4.3818 4.3818 12.4401 12.4401 12.4414 12.4414 16.8975 16.8975 16.8995 16.8995 k = 0.2857 0.1650 0.3364 ( 2346 PWs) bands (ev): -66.5324 -66.5324 -66.5324 -66.5324 -33.4888 -33.4888 -33.4868 -33.4868 -33.2129 -33.2129 -33.2107 -33.2107 -33.1873 -33.1873 -33.1870 -33.1870 -10.5155 -10.5155 -10.5148 -10.5148 2.4171 2.4171 2.4174 2.4174 4.3174 4.3174 4.3176 4.3176 4.3832 4.3832 4.3847 4.3847 12.4713 12.4713 12.4724 12.4724 16.8438 16.8438 16.8453 16.8453 k = 0.2946 0.1701 0.3364 ( 2350 PWs) bands (ev): -66.5323 -66.5323 -66.5323 -66.5323 -33.4891 -33.4891 -33.4872 -33.4872 -33.2133 -33.2133 -33.2111 -33.2111 -33.1875 -33.1875 -33.1873 -33.1873 -10.5037 -10.5037 -10.5031 -10.5031 2.3823 2.3823 2.3827 2.3827 4.3092 4.3092 4.3094 4.3094 4.3865 4.3865 4.3879 4.3879 12.5006 12.5006 12.5016 12.5016 16.7932 16.7932 16.7943 16.7943 k = 0.3036 0.1753 0.3364 ( 2348 PWs) bands (ev): -66.5323 -66.5323 -66.5323 -66.5323 -33.4894 -33.4894 -33.4875 -33.4875 -33.2137 -33.2137 -33.2115 -33.2115 -33.1877 -33.1877 -33.1875 -33.1875 -10.4920 -10.4920 -10.4914 -10.4914 2.3481 2.3481 2.3484 2.3484 4.3012 4.3012 4.3014 4.3014 4.3902 4.3902 4.3917 4.3917 12.5279 12.5279 12.5288 12.5288 16.7458 16.7458 16.7466 16.7466 k = 0.3125 0.1804 0.3364 ( 2348 PWs) bands (ev): -66.5322 -66.5322 -66.5322 -66.5322 -33.4897 -33.4897 -33.4878 -33.4878 -33.2140 -33.2140 -33.2119 -33.2119 -33.1879 -33.1879 -33.1877 -33.1877 -10.4806 -10.4806 -10.4800 -10.4800 2.3145 2.3145 2.3148 2.3148 4.2933 4.2933 4.2934 4.2934 4.3943 4.3943 4.3957 4.3957 12.5533 12.5533 12.5540 12.5540 16.7016 16.7016 16.7021 16.7021 k = 0.3214 0.1856 0.3364 ( 2340 PWs) bands (ev): -66.5322 -66.5322 -66.5322 -66.5322 -33.4900 -33.4900 -33.4881 -33.4881 -33.2144 -33.2144 -33.2122 -33.2122 -33.1881 -33.1881 -33.1879 -33.1879 -10.4694 -10.4694 -10.4687 -10.4687 2.2817 2.2817 2.2820 2.2820 4.2856 4.2856 4.2857 4.2857 4.3986 4.3986 4.4000 4.4000 12.5768 12.5768 12.5774 12.5774 16.6606 16.6606 16.6608 16.6608 k = 0.3304 0.1907 0.3364 ( 2348 PWs) bands (ev): -66.5321 -66.5321 -66.5321 -66.5321 -33.4903 -33.4903 -33.4885 -33.4885 -33.2147 -33.2147 -33.2127 -33.2127 -33.1884 -33.1884 -33.1882 -33.1882 -10.4584 -10.4584 -10.4578 -10.4578 2.2497 2.2497 2.2500 2.2500 4.2780 4.2780 4.2781 4.2781 4.4031 4.4031 4.4044 4.4044 12.5984 12.5984 12.5988 12.5988 16.6225 16.6225 16.6227 16.6227 k = 0.3393 0.1959 0.3364 ( 2348 PWs) bands (ev): -66.5321 -66.5321 -66.5321 -66.5321 -33.4905 -33.4905 -33.4888 -33.4888 -33.2150 -33.2150 -33.2130 -33.2130 -33.1886 -33.1886 -33.1884 -33.1884 -10.4478 -10.4478 -10.4472 -10.4472 2.2188 2.2188 2.2191 2.2191 4.2707 4.2707 4.2708 4.2708 4.4077 4.4077 4.4090 4.4090 12.6180 12.6180 12.6183 12.6183 16.5873 16.5873 16.5877 16.5877 k = 0.3482 0.2010 0.3364 ( 2348 PWs) bands (ev): -66.5321 -66.5321 -66.5321 -66.5321 -33.4908 -33.4908 -33.4891 -33.4891 -33.2153 -33.2153 -33.2134 -33.2134 -33.1887 -33.1887 -33.1886 -33.1886 -10.4374 -10.4374 -10.4369 -10.4369 2.1889 2.1889 2.1892 2.1892 4.2637 4.2637 4.2638 4.2638 4.4125 4.4125 4.4137 4.4137 12.6358 12.6358 12.6360 12.6360 16.5551 16.5551 16.5557 16.5557 k = 0.3571 0.2062 0.3364 ( 2346 PWs) bands (ev): -66.5320 -66.5320 -66.5320 -66.5320 -33.4910 -33.4910 -33.4894 -33.4894 -33.2156 -33.2156 -33.2138 -33.2138 -33.1889 -33.1889 -33.1887 -33.1887 -10.4275 -10.4275 -10.4270 -10.4270 2.1602 2.1602 2.1605 2.1605 4.2570 4.2570 4.2571 4.2571 4.4172 4.4172 4.4184 4.4184 12.6518 12.6518 12.6519 12.6519 16.5257 16.5257 16.5265 16.5265 k = 0.3661 0.2114 0.3364 ( 2346 PWs) bands (ev): -66.5320 -66.5320 -66.5320 -66.5320 -33.4912 -33.4912 -33.4897 -33.4897 -33.2159 -33.2159 -33.2142 -33.2142 -33.1890 -33.1890 -33.1889 -33.1889 -10.4180 -10.4180 -10.4175 -10.4175 2.1328 2.1328 2.1331 2.1331 4.2506 4.2506 4.2506 4.2506 4.4220 4.4220 4.4231 4.4231 12.6661 12.6661 12.6661 12.6661 16.4991 16.4991 16.5001 16.5001 k = 0.3750 0.2165 0.3364 ( 2348 PWs) bands (ev): -66.5319 -66.5319 -66.5319 -66.5319 -33.4914 -33.4914 -33.4900 -33.4900 -33.2162 -33.2162 -33.2145 -33.2145 -33.1892 -33.1892 -33.1890 -33.1890 -10.4089 -10.4089 -10.4084 -10.4084 2.1068 2.1068 2.1071 2.1071 4.2445 4.2445 4.2445 4.2445 4.4266 4.4266 4.4277 4.4277 12.6787 12.6787 12.6788 12.6788 16.4751 16.4751 16.4762 16.4762 k = 0.3839 0.2217 0.3364 ( 2344 PWs) bands (ev): -66.5319 -66.5319 -66.5319 -66.5319 -33.4916 -33.4916 -33.4903 -33.4903 -33.2164 -33.2164 -33.2149 -33.2149 -33.1893 -33.1893 -33.1892 -33.1892 -10.4003 -10.4003 -10.3999 -10.3999 2.0822 2.0822 2.0825 2.0825 4.2387 4.2387 4.2387 4.2387 4.4312 4.4312 4.4322 4.4322 12.6898 12.6898 12.6900 12.6900 16.4536 16.4536 16.4548 16.4548 k = 0.3929 0.2268 0.3364 ( 2348 PWs) bands (ev): -66.5319 -66.5319 -66.5319 -66.5319 -33.4918 -33.4918 -33.4905 -33.4905 -33.2167 -33.2167 -33.2152 -33.2152 -33.1894 -33.1894 -33.1893 -33.1893 -10.3922 -10.3922 -10.3918 -10.3918 2.0592 2.0592 2.0595 2.0595 4.2333 4.2333 4.2333 4.2333 4.4355 4.4355 4.4364 4.4364 12.6995 12.6995 12.6998 12.6998 16.4343 16.4343 16.4357 16.4357 k = 0.4018 0.2320 0.3364 ( 2346 PWs) bands (ev): -66.5318 -66.5318 -66.5318 -66.5318 -33.4920 -33.4920 -33.4908 -33.4908 -33.2169 -33.2169 -33.2155 -33.2155 -33.1896 -33.1896 -33.1894 -33.1894 -10.3847 -10.3847 -10.3843 -10.3843 2.0377 2.0377 2.0380 2.0380 4.2283 4.2283 4.2283 4.2283 4.4397 4.4397 4.4405 4.4405 12.7080 12.7080 12.7083 12.7083 16.4174 16.4174 16.4187 16.4187 k = 0.4107 0.2371 0.3364 ( 2346 PWs) bands (ev): -66.5318 -66.5318 -66.5318 -66.5318 -33.4921 -33.4921 -33.4910 -33.4910 -33.2170 -33.2170 -33.2158 -33.2158 -33.1897 -33.1897 -33.1896 -33.1896 -10.3777 -10.3777 -10.3773 -10.3773 2.0179 2.0179 2.0182 2.0182 4.2237 4.2237 4.2237 4.2237 4.4436 4.4436 4.4444 4.4444 12.7153 12.7153 12.7156 12.7156 16.4025 16.4025 16.4038 16.4038 k = 0.4196 0.2423 0.3364 ( 2342 PWs) bands (ev): -66.5318 -66.5318 -66.5318 -66.5318 -33.4922 -33.4922 -33.4912 -33.4912 -33.2172 -33.2172 -33.2161 -33.2161 -33.1897 -33.1897 -33.1896 -33.1896 -10.3713 -10.3713 -10.3709 -10.3709 1.9999 1.9999 2.0001 2.0001 4.2194 4.2194 4.2195 4.2195 4.4473 4.4473 4.4480 4.4480 12.7215 12.7215 12.7218 12.7218 16.3895 16.3895 16.3908 16.3909 k = 0.4286 0.2474 0.3364 ( 2346 PWs) bands (ev): -66.5318 -66.5318 -66.5318 -66.5318 -33.4923 -33.4923 -33.4914 -33.4914 -33.2173 -33.2173 -33.2163 -33.2163 -33.1898 -33.1898 -33.1897 -33.1897 -10.3655 -10.3655 -10.3652 -10.3652 1.9835 1.9835 1.9837 1.9837 4.2156 4.2156 4.2156 4.2156 4.4507 4.4507 4.4513 4.4513 12.7267 12.7267 12.7270 12.7270 16.3784 16.3784 16.3796 16.3796 k = 0.4375 0.2526 0.3364 ( 2346 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4924 -33.4924 -33.4916 -33.4916 -33.2175 -33.2175 -33.2166 -33.2166 -33.1899 -33.1899 -33.1898 -33.1898 -10.3603 -10.3603 -10.3600 -10.3600 1.9690 1.9690 1.9692 1.9692 4.2122 4.2122 4.2122 4.2122 4.4537 4.4537 4.4542 4.4542 12.7310 12.7310 12.7313 12.7313 16.3689 16.3689 16.3700 16.3700 k = 0.4464 0.2577 0.3364 ( 2350 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4925 -33.4925 -33.4918 -33.4918 -33.2176 -33.2176 -33.2168 -33.2168 -33.1900 -33.1900 -33.1899 -33.1899 -10.3558 -10.3558 -10.3555 -10.3555 1.9563 1.9563 1.9565 1.9565 4.2093 4.2093 4.2093 4.2093 4.4564 4.4564 4.4568 4.4568 12.7346 12.7346 12.7349 12.7349 16.3609 16.3609 16.3619 16.3619 k = 0.4554 0.2629 0.3364 ( 2344 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4925 -33.4925 -33.4920 -33.4920 -33.2176 -33.2176 -33.2170 -33.2170 -33.1900 -33.1900 -33.1900 -33.1900 -10.3519 -10.3519 -10.3517 -10.3517 1.9456 1.9456 1.9458 1.9458 4.2068 4.2068 4.2068 4.2068 4.4587 4.4587 4.4591 4.4591 12.7375 12.7375 12.7378 12.7378 16.3544 16.3544 16.3553 16.3553 k = 0.4643 0.2681 0.3364 ( 2344 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4926 -33.4926 -33.4921 -33.4921 -33.2177 -33.2177 -33.2171 -33.2171 -33.1901 -33.1901 -33.1900 -33.1900 -10.3487 -10.3487 -10.3486 -10.3486 1.9368 1.9368 1.9369 1.9369 4.2047 4.2047 4.2047 4.2047 4.4606 4.4606 4.4609 4.4609 12.7399 12.7399 12.7401 12.7401 16.3492 16.3492 16.3499 16.3499 k = 0.4732 0.2732 0.3364 ( 2344 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4926 -33.4926 -33.4922 -33.4922 -33.2177 -33.2177 -33.2173 -33.2173 -33.1901 -33.1901 -33.1901 -33.1901 -10.3462 -10.3462 -10.3461 -10.3461 1.9299 1.9299 1.9299 1.9299 4.2030 4.2030 4.2030 4.2030 4.4621 4.4621 4.4624 4.4624 12.7416 12.7416 12.7417 12.7417 16.3453 16.3453 16.3458 16.3458 k = 0.4821 0.2784 0.3364 ( 2346 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4926 -33.4926 -33.4923 -33.4923 -33.2177 -33.2177 -33.2174 -33.2174 -33.1901 -33.1901 -33.1901 -33.1901 -10.3444 -10.3444 -10.3444 -10.3444 1.9249 1.9249 1.9250 1.9250 4.2019 4.2019 4.2019 4.2019 4.4632 4.4632 4.4634 4.4634 12.7428 12.7428 12.7429 12.7429 16.3425 16.3425 16.3429 16.3429 k = 0.4911 0.2835 0.3364 ( 2350 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4926 -33.4926 -33.4924 -33.4924 -33.2177 -33.2177 -33.2175 -33.2175 -33.1901 -33.1901 -33.1901 -33.1901 -10.3434 -10.3434 -10.3433 -10.3433 1.9219 1.9219 1.9220 1.9220 4.2012 4.2012 4.2012 4.2012 4.4639 4.4639 4.4640 4.4640 12.7435 12.7435 12.7435 12.7435 16.3409 16.3409 16.3411 16.3411 k = 0.5000 0.2887 0.3364 ( 2356 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4925 -33.4925 -33.4925 -33.4925 -33.2176 -33.2176 -33.2176 -33.2176 -33.1902 -33.1902 -33.1902 -33.1902 -10.3430 -10.3430 -10.3430 -10.3430 1.9209 1.9209 1.9209 1.9209 4.2009 4.2009 4.2009 4.2009 4.4641 4.4641 4.4641 4.4641 12.7437 12.7437 12.7437 12.7437 16.3405 16.3405 16.3405 16.3405 k = 0.5000 0.2887 0.3364 ( 2356 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4925 -33.4925 -33.4925 -33.4925 -33.2176 -33.2176 -33.2176 -33.2176 -33.1902 -33.1902 -33.1902 -33.1902 -10.3430 -10.3430 -10.3430 -10.3430 1.9209 1.9209 1.9209 1.9209 4.2009 4.2009 4.2009 4.2009 4.4641 4.4641 4.4641 4.4641 12.7437 12.7437 12.7437 12.7437 16.3405 16.3405 16.3405 16.3405 k = 0.4948 0.2977 0.3364 ( 2352 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4927 -33.4927 -33.4923 -33.4923 -33.2179 -33.2179 -33.2173 -33.2173 -33.1903 -33.1903 -33.1900 -33.1900 -10.3429 -10.3429 -10.3428 -10.3428 1.9216 1.9216 1.9218 1.9218 4.1947 4.1947 4.1964 4.1964 4.4669 4.4669 4.4690 4.4690 12.7456 12.7456 12.7460 12.7460 16.3390 16.3390 16.3396 16.3396 k = 0.4896 0.3067 0.3364 ( 2348 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4929 -33.4929 -33.4922 -33.4922 -33.2182 -33.2182 -33.2170 -33.2170 -33.1904 -33.1904 -33.1899 -33.1899 -10.3426 -10.3426 -10.3424 -10.3424 1.9239 1.9239 1.9242 1.9242 4.1787 4.1787 4.1819 4.1819 4.4765 4.4765 4.4803 4.4803 12.7516 12.7516 12.7525 12.7525 16.3351 16.3351 16.3362 16.3362 k = 0.4844 0.3157 0.3364 ( 2344 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4930 -33.4930 -33.4920 -33.4920 -33.2185 -33.2185 -33.2167 -33.2167 -33.1906 -33.1906 -33.1898 -33.1898 -10.3421 -10.3421 -10.3418 -10.3418 1.9276 1.9276 1.9281 1.9281 4.1548 4.1548 4.1590 4.1590 4.4911 4.4911 4.4963 4.4963 12.7619 12.7619 12.7632 12.7632 16.3288 16.3288 16.3305 16.3305 k = 0.4792 0.3248 0.3364 ( 2346 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4932 -33.4932 -33.4919 -33.4919 -33.2188 -33.2188 -33.2164 -33.2164 -33.1907 -33.1907 -33.1898 -33.1898 -10.3414 -10.3414 -10.3410 -10.3410 1.9329 1.9329 1.9336 1.9336 4.1251 4.1251 4.1299 4.1299 4.5089 4.5089 4.5149 4.5149 12.7762 12.7762 12.7779 12.7779 16.3199 16.3199 16.3222 16.3222 k = 0.4740 0.3338 0.3364 ( 2342 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4934 -33.4934 -33.4917 -33.4917 -33.2191 -33.2191 -33.2161 -33.2161 -33.1909 -33.1909 -33.1897 -33.1897 -10.3405 -10.3405 -10.3400 -10.3400 1.9397 1.9397 1.9406 1.9406 4.0909 4.0909 4.0961 4.0961 4.5283 4.5283 4.5350 4.5350 12.7945 12.7945 12.7966 12.7966 16.3086 16.3086 16.3114 16.3114 k = 0.4688 0.3428 0.3364 ( 2352 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4936 -33.4936 -33.4916 -33.4916 -33.2194 -33.2194 -33.2158 -33.2158 -33.1912 -33.1912 -33.1897 -33.1897 -10.3394 -10.3394 -10.3388 -10.3388 1.9480 1.9480 1.9490 1.9490 4.0533 4.0533 4.0586 4.0586 4.5483 4.5483 4.5554 4.5554 12.8166 12.8166 12.8191 12.8191 16.2945 16.2945 16.2979 16.2979 k = 0.4635 0.3518 0.3364 ( 2356 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4938 -33.4938 -33.4915 -33.4915 -33.2197 -33.2197 -33.2155 -33.2155 -33.1914 -33.1914 -33.1897 -33.1897 -10.3381 -10.3381 -10.3373 -10.3373 1.9578 1.9578 1.9590 1.9590 4.0129 4.0129 4.0184 4.0184 4.5683 4.5683 4.5757 4.5757 12.8424 12.8424 12.8454 12.8454 16.2778 16.2778 16.2816 16.2816 k = 0.4583 0.3608 0.3364 ( 2356 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4940 -33.4940 -33.4913 -33.4913 -33.2199 -33.2199 -33.2152 -33.2152 -33.1917 -33.1917 -33.1897 -33.1897 -10.3366 -10.3366 -10.3357 -10.3357 1.9690 1.9690 1.9704 1.9704 3.9703 3.9703 3.9758 3.9758 4.5879 4.5879 4.5956 4.5956 12.8718 12.8718 12.8752 12.8752 16.2582 16.2582 16.2626 16.2626 k = 0.4531 0.3699 0.3364 ( 2352 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4942 -33.4942 -33.4912 -33.4912 -33.2202 -33.2202 -33.2149 -33.2149 -33.1919 -33.1919 -33.1897 -33.1897 -10.3349 -10.3349 -10.3340 -10.3340 1.9817 1.9817 1.9833 1.9833 3.9259 3.9259 3.9313 3.9313 4.6069 4.6069 4.6148 4.6148 12.9045 12.9045 12.9083 12.9083 16.2358 16.2358 16.2406 16.2406 k = 0.4479 0.3789 0.3364 ( 2352 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4944 -33.4944 -33.4911 -33.4911 -33.2205 -33.2205 -33.2146 -33.2146 -33.1921 -33.1921 -33.1897 -33.1897 -10.3331 -10.3331 -10.3320 -10.3320 1.9958 1.9958 1.9975 1.9975 3.8797 3.8797 3.8851 3.8851 4.6251 4.6251 4.6332 4.6332 12.9404 12.9404 12.9446 12.9446 16.2104 16.2104 16.2157 16.2157 k = 0.4427 0.3879 0.3364 ( 2352 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4945 -33.4945 -33.4910 -33.4910 -33.2207 -33.2207 -33.2143 -33.2143 -33.1924 -33.1924 -33.1897 -33.1897 -10.3311 -10.3311 -10.3300 -10.3300 2.0112 2.0112 2.0131 2.0131 3.8323 3.8323 3.8376 3.8376 4.6425 4.6425 4.6507 4.6507 12.9792 12.9792 12.9838 12.9838 16.1820 16.1820 16.1877 16.1877 k = 0.4375 0.3969 0.3364 ( 2344 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4947 -33.4947 -33.4908 -33.4908 -33.2210 -33.2210 -33.2140 -33.2140 -33.1927 -33.1927 -33.1897 -33.1897 -10.3290 -10.3290 -10.3277 -10.3277 2.0280 2.0280 2.0301 2.0301 3.7837 3.7837 3.7889 3.7889 4.6591 4.6591 4.6674 4.6674 13.0207 13.0207 13.0256 13.0256 16.1508 16.1508 16.1568 16.1568 k = 0.4323 0.4059 0.3364 ( 2340 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4949 -33.4949 -33.4907 -33.4907 -33.2212 -33.2212 -33.2137 -33.2137 -33.1930 -33.1930 -33.1897 -33.1897 -10.3267 -10.3267 -10.3254 -10.3254 2.0460 2.0460 2.0484 2.0484 3.7341 3.7341 3.7393 3.7393 4.6747 4.6747 4.6831 4.6831 13.0646 13.0646 13.0699 13.0699 16.1166 16.1166 16.1229 16.1229 k = 0.4271 0.4150 0.3364 ( 2336 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4950 -33.4950 -33.4906 -33.4906 -33.2214 -33.2214 -33.2134 -33.2134 -33.1932 -33.1932 -33.1897 -33.1897 -10.3244 -10.3244 -10.3230 -10.3230 2.0653 2.0653 2.0679 2.0679 3.6839 3.6839 3.6891 3.6891 4.6894 4.6894 4.6978 4.6978 13.1106 13.1106 13.1162 13.1162 16.0795 16.0795 16.0862 16.0862 k = 0.4219 0.4240 0.3364 ( 2336 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4952 -33.4952 -33.4906 -33.4906 -33.2217 -33.2217 -33.2131 -33.2131 -33.1936 -33.1936 -33.1898 -33.1898 -10.3220 -10.3220 -10.3205 -10.3205 2.0857 2.0857 2.0885 2.0885 3.6331 3.6331 3.6383 3.6383 4.7032 4.7032 4.7116 4.7116 13.1584 13.1584 13.1643 13.1643 16.0398 16.0398 16.0468 16.0468 k = 0.4167 0.4330 0.3364 ( 2332 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4954 -33.4954 -33.4905 -33.4905 -33.2219 -33.2219 -33.2128 -33.2128 -33.1938 -33.1938 -33.1898 -33.1898 -10.3195 -10.3195 -10.3180 -10.3180 2.1072 2.1072 2.1103 2.1103 3.5821 3.5821 3.5872 3.5873 4.7161 4.7161 4.7246 4.7246 13.2076 13.2076 13.2139 13.2139 15.9978 15.9978 16.0049 16.0049 k = 0.4115 0.4420 0.3364 ( 2340 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4956 -33.4956 -33.4905 -33.4905 -33.2221 -33.2221 -33.2126 -33.2126 -33.1942 -33.1942 -33.1899 -33.1899 -10.3170 -10.3170 -10.3154 -10.3154 2.1297 2.1297 2.1330 2.1330 3.5309 3.5309 3.5361 3.5361 4.7281 4.7281 4.7365 4.7365 13.2579 13.2579 13.2646 13.2646 15.9535 15.9535 15.9607 15.9607 k = 0.4062 0.4511 0.3364 ( 2336 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4957 -33.4957 -33.4904 -33.4904 -33.2223 -33.2223 -33.2123 -33.2123 -33.1945 -33.1945 -33.1899 -33.1899 -10.3145 -10.3145 -10.3128 -10.3128 2.1531 2.1531 2.1567 2.1567 3.4800 3.4800 3.4853 3.4853 4.7392 4.7392 4.7477 4.7477 13.3090 13.3090 13.3160 13.3160 15.9075 15.9075 15.9148 15.9148 k = 0.4010 0.4601 0.3364 ( 2336 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4959 -33.4959 -33.4903 -33.4903 -33.2226 -33.2225 -33.2120 -33.2120 -33.1948 -33.1948 -33.1900 -33.1900 -10.3120 -10.3120 -10.3103 -10.3103 2.1772 2.1772 2.1812 2.1812 3.4294 3.4294 3.4348 3.4348 4.7495 4.7495 4.7580 4.7580 13.3605 13.3605 13.3677 13.3677 15.8601 15.8601 15.8675 15.8675 k = 0.3958 0.4691 0.3364 ( 2334 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4960 -33.4960 -33.4903 -33.4903 -33.2227 -33.2227 -33.2118 -33.2118 -33.1950 -33.1950 -33.1900 -33.1900 -10.3095 -10.3095 -10.3077 -10.3077 2.2020 2.2020 2.2063 2.2063 3.3795 3.3795 3.3850 3.3850 4.7590 4.7590 4.7675 4.7675 13.4118 13.4118 13.4193 13.4193 15.8119 15.8119 15.8193 15.8193 k = 0.3906 0.4781 0.3364 ( 2326 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4961 -33.4961 -33.4902 -33.4902 -33.2229 -33.2229 -33.2115 -33.2115 -33.1953 -33.1953 -33.1901 -33.1901 -10.3071 -10.3071 -10.3052 -10.3052 2.2273 2.2273 2.2320 2.2320 3.3305 3.3305 3.3363 3.3363 4.7677 4.7677 4.7762 4.7762 13.4626 13.4626 13.4703 13.4703 15.7634 15.7634 15.7707 15.7707 k = 0.3854 0.4871 0.3364 ( 2326 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4962 -33.4962 -33.4902 -33.4902 -33.2231 -33.2231 -33.2113 -33.2113 -33.1956 -33.1956 -33.1901 -33.1901 -10.3048 -10.3048 -10.3029 -10.3029 2.2529 2.2529 2.2579 2.2579 3.2828 3.2828 3.2888 3.2888 4.7756 4.7756 4.7840 4.7840 13.5122 13.5122 13.5202 13.5202 15.7152 15.7152 15.7224 15.7224 k = 0.3802 0.4962 0.3364 ( 2330 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4964 -33.4964 -33.4902 -33.4902 -33.2232 -33.2232 -33.2111 -33.2111 -33.1958 -33.1958 -33.1902 -33.1902 -10.3025 -10.3025 -10.3006 -10.3006 2.2784 2.2784 2.2839 2.2839 3.2367 3.2367 3.2430 3.2430 4.7827 4.7827 4.7911 4.7911 13.5602 13.5602 13.5684 13.5684 15.6680 15.6680 15.6750 15.6750 k = 0.3750 0.5052 0.3364 ( 2330 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4965 -33.4965 -33.4902 -33.4902 -33.2234 -33.2234 -33.2109 -33.2109 -33.1961 -33.1961 -33.1902 -33.1902 -10.3004 -10.3004 -10.2984 -10.2984 2.3037 2.3037 2.3096 2.3096 3.1927 3.1927 3.1993 3.1993 4.7890 4.7890 4.7974 4.7974 13.6059 13.6059 13.6144 13.6144 15.6226 15.6226 15.6294 15.6294 k = 0.3698 0.5142 0.3364 ( 2326 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4966 -33.4966 -33.4901 -33.4901 -33.2235 -33.2235 -33.2108 -33.2108 -33.1963 -33.1963 -33.1903 -33.1903 -10.2985 -10.2985 -10.2964 -10.2964 2.3282 2.3282 2.3347 2.3347 3.1511 3.1511 3.1582 3.1582 4.7946 4.7946 4.8029 4.8029 13.6486 13.6486 13.6573 13.6573 15.5797 15.5797 15.5863 15.5863 k = 0.3646 0.5232 0.3364 ( 2328 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4967 -33.4967 -33.4901 -33.4901 -33.2236 -33.2236 -33.2106 -33.2106 -33.1965 -33.1965 -33.1903 -33.1903 -10.2967 -10.2967 -10.2946 -10.2946 2.3516 2.3516 2.3586 2.3586 3.1127 3.1127 3.1202 3.1202 4.7993 4.7993 4.8077 4.8077 13.6877 13.6877 13.6966 13.6966 15.5401 15.5401 15.5464 15.5464 k = 0.3594 0.5322 0.3364 ( 2336 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4968 -33.4968 -33.4901 -33.4901 -33.2238 -33.2238 -33.2105 -33.2105 -33.1967 -33.1967 -33.1903 -33.1903 -10.2951 -10.2951 -10.2931 -10.2931 2.3732 2.3732 2.3808 2.3808 3.0780 3.0780 3.0860 3.0860 4.8034 4.8034 4.8117 4.8117 13.7224 13.7224 13.7314 13.7314 15.5048 15.5048 15.5108 15.5108 k = 0.3542 0.5413 0.3364 ( 2336 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4968 -33.4968 -33.4901 -33.4901 -33.2238 -33.2238 -33.2104 -33.2104 -33.1968 -33.1968 -33.1904 -33.1904 -10.2938 -10.2938 -10.2917 -10.2917 2.3923 2.3923 2.4005 2.4005 3.0479 3.0479 3.0565 3.0565 4.8067 4.8067 4.8150 4.8150 13.7520 13.7520 13.7611 13.7611 15.4745 15.4745 15.4802 15.4802 k = 0.3490 0.5503 0.3364 ( 2332 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4969 -33.4969 -33.4901 -33.4901 -33.2239 -33.2239 -33.2103 -33.2103 -33.1969 -33.1969 -33.1904 -33.1904 -10.2927 -10.2927 -10.2906 -10.2906 2.4083 2.4083 2.4171 2.4171 3.0233 3.0233 3.0324 3.0324 4.8093 4.8093 4.8176 4.8176 13.7757 13.7757 13.7850 13.7850 15.4501 15.4501 15.4555 15.4555 k = 0.3438 0.5593 0.3364 ( 2332 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4969 -33.4969 -33.4901 -33.4901 -33.2239 -33.2239 -33.2103 -33.2103 -33.1970 -33.1970 -33.1904 -33.1904 -10.2919 -10.2919 -10.2898 -10.2898 2.4203 2.4203 2.4295 2.4295 3.0049 3.0049 3.0145 3.0145 4.8111 4.8111 4.8194 4.8194 13.7931 13.7931 13.8024 13.8024 15.4322 15.4322 15.4374 15.4374 k = 0.3385 0.5683 0.3364 ( 2332 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4969 -33.4969 -33.4901 -33.4901 -33.2240 -33.2240 -33.2103 -33.2103 -33.1971 -33.1971 -33.1904 -33.1904 -10.2914 -10.2914 -10.2893 -10.2893 2.4278 2.4278 2.4373 2.4373 2.9937 2.9937 3.0035 3.0035 4.8122 4.8122 4.8205 4.8205 13.8037 13.8037 13.8130 13.8130 15.4213 15.4213 15.4263 15.4263 k = 0.3333 0.5774 0.3364 ( 2328 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4969 -33.4969 -33.4901 -33.4901 -33.2240 -33.2240 -33.2102 -33.2102 -33.1971 -33.1971 -33.1904 -33.1904 -10.2913 -10.2913 -10.2891 -10.2891 2.4303 2.4303 2.4399 2.4399 2.9899 2.9899 2.9999 2.9999 4.8126 4.8126 4.8209 4.8209 13.8073 13.8073 13.8166 13.8166 15.4176 15.4176 15.4226 15.4226 k = 0.3333 0.5774 0.3364 ( 2328 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4969 -33.4969 -33.4901 -33.4901 -33.2240 -33.2240 -33.2102 -33.2102 -33.1971 -33.1971 -33.1904 -33.1904 -10.2913 -10.2913 -10.2891 -10.2891 2.4303 2.4303 2.4399 2.4399 2.9899 2.9899 2.9999 2.9999 4.8126 4.8126 4.8209 4.8209 13.8073 13.8073 13.8166 13.8166 15.4176 15.4176 15.4226 15.4226 k = 0.3281 0.5683 0.3364 ( 2332 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4969 -33.4969 -33.4901 -33.4901 -33.2240 -33.2240 -33.2103 -33.2103 -33.1971 -33.1971 -33.1904 -33.1904 -10.2914 -10.2914 -10.2893 -10.2893 2.4278 2.4278 2.4374 2.4374 2.9936 2.9936 3.0034 3.0034 4.8122 4.8122 4.8205 4.8205 13.8038 13.8038 13.8131 13.8131 15.4212 15.4212 15.4262 15.4262 k = 0.3229 0.5593 0.3364 ( 2328 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4969 -33.4969 -33.4901 -33.4901 -33.2239 -33.2239 -33.2103 -33.2103 -33.1970 -33.1970 -33.1904 -33.1904 -10.2920 -10.2920 -10.2898 -10.2898 2.4210 2.4210 2.4303 2.4303 3.0044 3.0044 3.0139 3.0139 4.8111 4.8111 4.8194 4.8194 13.7935 13.7935 13.8028 13.8028 15.4319 15.4319 15.4371 15.4371 k = 0.3177 0.5503 0.3364 ( 2332 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4969 -33.4969 -33.4901 -33.4901 -33.2239 -33.2239 -33.2103 -33.2103 -33.1969 -33.1969 -33.1904 -33.1904 -10.2929 -10.2929 -10.2908 -10.2908 2.4106 2.4106 2.4194 2.4194 3.0213 3.0213 3.0304 3.0304 4.8093 4.8093 4.8176 4.8176 13.7770 13.7770 13.7862 13.7862 15.4493 15.4493 15.4547 15.4547 k = 0.3125 0.5413 0.3364 ( 2332 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4968 -33.4968 -33.4901 -33.4901 -33.2238 -33.2238 -33.2104 -33.2104 -33.1968 -33.1968 -33.1904 -33.1904 -10.2943 -10.2943 -10.2921 -10.2921 2.3974 2.3974 2.4057 2.4057 3.0435 3.0435 3.0522 3.0522 4.8068 4.8068 4.8151 4.8151 13.7547 13.7547 13.7639 13.7639 15.4727 15.4727 15.4784 15.4784 k = 0.3073 0.5322 0.3364 ( 2330 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4967 -33.4967 -33.4901 -33.4901 -33.2237 -33.2237 -33.2104 -33.2104 -33.1967 -33.1967 -33.1903 -33.1903 -10.2960 -10.2960 -10.2939 -10.2939 2.3824 2.3825 2.3902 2.3902 3.0701 3.0701 3.0783 3.0783 4.8035 4.8035 4.8119 4.8119 13.7276 13.7276 13.7366 13.7366 15.5014 15.5014 15.5074 15.5074 k = 0.3021 0.5232 0.3364 ( 2336 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4967 -33.4967 -33.4901 -33.4901 -33.2236 -33.2236 -33.2105 -33.2105 -33.1965 -33.1965 -33.1903 -33.1903 -10.2982 -10.2982 -10.2961 -10.2961 2.3665 2.3665 2.3737 2.3737 3.1000 3.1000 3.1078 3.1078 4.7996 4.7996 4.8080 4.8080 13.6961 13.6961 13.7051 13.7051 15.5348 15.5348 15.5411 15.5411 k = 0.2969 0.5142 0.3364 ( 2332 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4965 -33.4965 -33.4901 -33.4901 -33.2235 -33.2235 -33.2106 -33.2106 -33.1963 -33.1963 -33.1902 -33.1902 -10.3009 -10.3009 -10.2988 -10.2988 2.3503 2.3503 2.3570 2.3570 3.1328 3.1328 3.1402 3.1402 4.7950 4.7950 4.8034 4.8034 13.6612 13.6612 13.6700 13.6700 15.5721 15.5721 15.5786 15.5786 k = 0.2917 0.5052 0.3364 ( 2332 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4964 -33.4964 -33.4900 -33.4900 -33.2233 -33.2233 -33.2107 -33.2107 -33.1961 -33.1961 -33.1902 -33.1902 -10.3040 -10.3040 -10.3020 -10.3020 2.3343 2.3343 2.3406 2.3406 3.1677 3.1677 3.1747 3.1747 4.7897 4.7897 4.7981 4.7981 13.6234 13.6234 13.6321 13.6321 15.6125 15.6125 15.6193 15.6193 k = 0.2865 0.4962 0.3364 ( 2328 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4963 -33.4963 -33.4900 -33.4900 -33.2231 -33.2231 -33.2108 -33.2108 -33.1959 -33.1959 -33.1901 -33.1901 -10.3075 -10.3075 -10.3056 -10.3056 2.3191 2.3191 2.3250 2.3250 3.2042 3.2042 3.2109 3.2109 4.7837 4.7837 4.7922 4.7922 13.5834 13.5834 13.5920 13.5920 15.6556 15.6556 15.6626 15.6626 k = 0.2812 0.4871 0.3364 ( 2324 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4961 -33.4961 -33.4899 -33.4899 -33.2229 -33.2229 -33.2109 -33.2109 -33.1956 -33.1956 -33.1900 -33.1900 -10.3116 -10.3116 -10.3097 -10.3097 2.3049 2.3049 2.3105 2.3105 3.2420 3.2420 3.2485 3.2485 4.7771 4.7771 4.7856 4.7856 13.5416 13.5416 13.5501 13.5501 15.7007 15.7007 15.7078 15.7078 k = 0.2760 0.4781 0.3364 ( 2328 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4959 -33.4959 -33.4899 -33.4899 -33.2227 -33.2227 -33.2109 -33.2109 -33.1954 -33.1954 -33.1900 -33.1900 -10.3162 -10.3162 -10.3143 -10.3143 2.2922 2.2922 2.2973 2.2973 3.2808 3.2808 3.2870 3.2870 4.7698 4.7698 4.7784 4.7784 13.4986 13.4986 13.5069 13.5069 15.7472 15.7472 15.7544 15.7544 k = 0.2708 0.4691 0.3364 ( 2336 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4958 -33.4958 -33.4899 -33.4899 -33.2224 -33.2224 -33.2110 -33.2110 -33.1952 -33.1952 -33.1899 -33.1899 -10.3212 -10.3212 -10.3193 -10.3193 2.2809 2.2809 2.2858 2.2858 3.3202 3.3202 3.3263 3.3263 4.7620 4.7620 4.7706 4.7706 13.4547 13.4547 13.4628 13.4628 15.7949 15.7949 15.8022 15.8022 k = 0.2656 0.4601 0.3364 ( 2332 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4956 -33.4956 -33.4898 -33.4898 -33.2221 -33.2221 -33.2111 -33.2111 -33.1949 -33.1949 -33.1898 -33.1898 -10.3267 -10.3267 -10.3249 -10.3249 2.2715 2.2715 2.2760 2.2760 3.3602 3.3602 3.3661 3.3661 4.7535 4.7535 4.7622 4.7622 13.4103 13.4103 13.4182 13.4182 15.8435 15.8435 15.8507 15.8507 k = 0.2604 0.4511 0.3364 ( 2332 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4953 -33.4953 -33.4897 -33.4897 -33.2218 -33.2218 -33.2111 -33.2111 -33.1946 -33.1946 -33.1897 -33.1897 -10.3327 -10.3327 -10.3309 -10.3309 2.2639 2.2639 2.2682 2.2682 3.4005 3.4005 3.4063 3.4063 4.7445 4.7445 4.7533 4.7533 13.3655 13.3655 13.3733 13.3733 15.8925 15.8925 15.8997 15.8997 k = 0.2552 0.4420 0.3364 ( 2332 PWs) bands (ev): -66.5316 -66.5316 -66.5316 -66.5316 -33.4951 -33.4951 -33.4896 -33.4896 -33.2215 -33.2215 -33.2112 -33.2112 -33.1943 -33.1943 -33.1896 -33.1896 -10.3392 -10.3392 -10.3375 -10.3375 2.2584 2.2584 2.2624 2.2624 3.4409 3.4409 3.4467 3.4467 4.7350 4.7350 4.7438 4.7438 13.3206 13.3206 13.3282 13.3282 15.9418 15.9418 15.9489 15.9489 k = 0.2500 0.4330 0.3364 ( 2340 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4949 -33.4949 -33.4895 -33.4895 -33.2212 -33.2212 -33.2112 -33.2112 -33.1940 -33.1940 -33.1895 -33.1895 -10.3462 -10.3462 -10.3445 -10.3445 2.2548 2.2548 2.2586 2.2586 3.4813 3.4813 3.4871 3.4871 4.7249 4.7249 4.7338 4.7338 13.2757 13.2757 13.2830 13.2830 15.9912 15.9912 15.9982 15.9982 k = 0.2448 0.4240 0.3364 ( 2338 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4946 -33.4946 -33.4894 -33.4894 -33.2208 -33.2208 -33.2112 -33.2112 -33.1937 -33.1936 -33.1894 -33.1894 -10.3536 -10.3536 -10.3520 -10.3520 2.2533 2.2533 2.2569 2.2569 3.5216 3.5216 3.5274 3.5274 4.7144 4.7144 4.7234 4.7234 13.2309 13.2309 13.2381 13.2381 16.0407 16.0407 16.0475 16.0475 k = 0.2396 0.4150 0.3364 ( 2342 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4943 -33.4943 -33.4893 -33.4893 -33.2205 -33.2205 -33.2113 -33.2113 -33.1933 -33.1933 -33.1893 -33.1893 -10.3616 -10.3616 -10.3600 -10.3600 2.2540 2.2540 2.2574 2.2574 3.5617 3.5617 3.5675 3.5675 4.7034 4.7034 4.7126 4.7126 13.1863 13.1863 13.1933 13.1933 16.0902 16.0902 16.0967 16.0967 k = 0.2344 0.4059 0.3364 ( 2342 PWs) bands (ev): -66.5318 -66.5318 -66.5318 -66.5318 -33.4940 -33.4940 -33.4892 -33.4892 -33.2201 -33.2201 -33.2113 -33.2113 -33.1930 -33.1930 -33.1891 -33.1891 -10.3699 -10.3699 -10.3684 -10.3684 2.2569 2.2569 2.2601 2.2601 3.6015 3.6015 3.6074 3.6074 4.6921 4.6921 4.7013 4.7013 13.1419 13.1419 13.1487 13.1487 16.1396 16.1396 16.1459 16.1459 k = 0.2292 0.3969 0.3364 ( 2346 PWs) bands (ev): -66.5318 -66.5318 -66.5318 -66.5318 -33.4937 -33.4937 -33.4890 -33.4890 -33.2197 -33.2197 -33.2112 -33.2112 -33.1927 -33.1927 -33.1890 -33.1890 -10.3787 -10.3787 -10.3772 -10.3772 2.2618 2.2618 2.2649 2.2649 3.6408 3.6408 3.6468 3.6468 4.6804 4.6804 4.6897 4.6897 13.0978 13.0978 13.1044 13.1044 16.1891 16.1891 16.1950 16.1950 k = 0.2240 0.3879 0.3364 ( 2350 PWs) bands (ev): -66.5319 -66.5319 -66.5319 -66.5319 -33.4934 -33.4934 -33.4889 -33.4889 -33.2192 -33.2192 -33.2112 -33.2112 -33.1923 -33.1923 -33.1889 -33.1889 -10.3879 -10.3879 -10.3865 -10.3865 2.2689 2.2689 2.2718 2.2718 3.6796 3.6796 3.6857 3.6857 4.6684 4.6684 4.6779 4.6779 13.0540 13.0540 13.0603 13.0603 16.2386 16.2386 16.2442 16.2442 k = 0.2188 0.3789 0.3364 ( 2346 PWs) bands (ev): -66.5319 -66.5319 -66.5319 -66.5319 -33.4931 -33.4931 -33.4887 -33.4887 -33.2188 -33.2188 -33.2111 -33.2111 -33.1920 -33.1920 -33.1887 -33.1887 -10.3975 -10.3975 -10.3961 -10.3961 2.2781 2.2781 2.2808 2.2808 3.7178 3.7178 3.7241 3.7241 4.6563 4.6563 4.6659 4.6659 13.0104 13.0104 13.0165 13.0165 16.2882 16.2882 16.2935 16.2935 k = 0.2135 0.3699 0.3364 ( 2344 PWs) bands (ev): -66.5319 -66.5319 -66.5319 -66.5319 -33.4928 -33.4928 -33.4885 -33.4885 -33.2183 -33.2183 -33.2110 -33.2110 -33.1916 -33.1916 -33.1886 -33.1886 -10.4075 -10.4075 -10.4062 -10.4062 2.2894 2.2894 2.2919 2.2919 3.7554 3.7554 3.7619 3.7619 4.6439 4.6439 4.6536 4.6536 12.9670 12.9670 12.9729 12.9729 16.3381 16.3381 16.3429 16.3429 k = 0.2083 0.3608 0.3364 ( 2348 PWs) bands (ev): -66.5320 -66.5320 -66.5320 -66.5320 -33.4924 -33.4924 -33.4883 -33.4883 -33.2179 -33.2179 -33.2109 -33.2109 -33.1913 -33.1913 -33.1884 -33.1884 -10.4178 -10.4178 -10.4166 -10.4166 2.3026 2.3026 2.3050 2.3050 3.7923 3.7923 3.7989 3.7989 4.6313 4.6313 4.6413 4.6413 12.9237 12.9237 12.9294 12.9294 16.3883 16.3883 16.3927 16.3927 k = 0.2031 0.3518 0.3364 ( 2344 PWs) bands (ev): -66.5320 -66.5320 -66.5320 -66.5320 -33.4921 -33.4921 -33.4881 -33.4881 -33.2174 -33.2174 -33.2108 -33.2108 -33.1909 -33.1909 -33.1882 -33.1882 -10.4285 -10.4285 -10.4273 -10.4273 2.3178 2.3178 2.3201 2.3201 3.8284 3.8284 3.8353 3.8353 4.6187 4.6187 4.6289 4.6289 12.8805 12.8805 12.8860 12.8860 16.4390 16.4390 16.4431 16.4431 k = 0.1979 0.3428 0.3364 ( 2344 PWs) bands (ev): -66.5321 -66.5321 -66.5321 -66.5321 -33.4917 -33.4917 -33.4879 -33.4879 -33.2169 -33.2169 -33.2107 -33.2106 -33.1905 -33.1905 -33.1880 -33.1880 -10.4395 -10.4395 -10.4383 -10.4383 2.3348 2.3348 2.3370 2.3370 3.8637 3.8637 3.8708 3.8708 4.6061 4.6061 4.6164 4.6164 12.8374 12.8374 12.8427 12.8427 16.4904 16.4904 16.4940 16.4940 k = 0.1927 0.3338 0.3364 ( 2344 PWs) bands (ev): -66.5321 -66.5321 -66.5321 -66.5321 -33.4913 -33.4913 -33.4877 -33.4877 -33.2165 -33.2165 -33.2105 -33.2105 -33.1902 -33.1902 -33.1878 -33.1878 -10.4507 -10.4507 -10.4496 -10.4496 2.3537 2.3537 2.3558 2.3558 3.8980 3.8980 3.9055 3.9055 4.5935 4.5935 4.6041 4.6041 12.7942 12.7942 12.7993 12.7993 16.5425 16.5425 16.5457 16.5457 k = 0.1875 0.3248 0.3364 ( 2348 PWs) bands (ev): -66.5321 -66.5321 -66.5321 -66.5321 -33.4910 -33.4910 -33.4875 -33.4875 -33.2160 -33.2160 -33.2103 -33.2103 -33.1898 -33.1898 -33.1877 -33.1877 -10.4622 -10.4622 -10.4611 -10.4611 2.3742 2.3742 2.3762 2.3762 3.9315 3.9315 3.9392 3.9392 4.5811 4.5811 4.5918 4.5918 12.7509 12.7509 12.7558 12.7558 16.5957 16.5957 16.5985 16.5985 k = 0.1823 0.3157 0.3364 ( 2348 PWs) bands (ev): -66.5322 -66.5322 -66.5322 -66.5322 -33.4906 -33.4906 -33.4872 -33.4872 -33.2155 -33.2155 -33.2102 -33.2102 -33.1895 -33.1895 -33.1875 -33.1875 -10.4739 -10.4739 -10.4729 -10.4729 2.3963 2.3963 2.3982 2.3982 3.9640 3.9640 3.9720 3.9720 4.5688 4.5688 4.5798 4.5798 12.7075 12.7075 12.7122 12.7122 16.6500 16.6500 16.6525 16.6525 k = 0.1771 0.3067 0.3364 ( 2352 PWs) bands (ev): -66.5322 -66.5322 -66.5322 -66.5322 -33.4902 -33.4902 -33.4870 -33.4870 -33.2150 -33.2150 -33.2100 -33.2100 -33.1891 -33.1891 -33.1873 -33.1873 -10.4859 -10.4859 -10.4848 -10.4848 2.4199 2.4199 2.4217 2.4217 3.9954 3.9954 4.0039 4.0039 4.5568 4.5568 4.5681 4.5681 12.6638 12.6638 12.6683 12.6683 16.7055 16.7055 16.7078 16.7078 k = 0.1719 0.2977 0.3364 ( 2350 PWs) bands (ev): -66.5323 -66.5323 -66.5323 -66.5323 -33.4898 -33.4898 -33.4867 -33.4867 -33.2145 -33.2145 -33.2097 -33.2097 -33.1887 -33.1887 -33.1870 -33.1870 -10.4979 -10.4979 -10.4969 -10.4969 2.4449 2.4449 2.4466 2.4466 4.0259 4.0259 4.0348 4.0348 4.5451 4.5451 4.5567 4.5567 12.6198 12.6198 12.6241 12.6241 16.7626 16.7626 16.7647 16.7647 k = 0.1667 0.2887 0.3364 ( 2350 PWs) bands (ev): -66.5323 -66.5323 -66.5323 -66.5323 -33.4894 -33.4894 -33.4864 -33.4864 -33.2140 -33.2140 -33.2095 -33.2095 -33.1884 -33.1884 -33.1868 -33.1868 -10.5101 -10.5101 -10.5091 -10.5091 2.4711 2.4711 2.4727 2.4727 4.0553 4.0553 4.0646 4.0646 4.5338 4.5338 4.5457 4.5457 12.5755 12.5755 12.5797 12.5797 16.8211 16.8211 16.8232 16.8232 k = 0.1615 0.2797 0.3364 ( 2346 PWs) bands (ev): -66.5324 -66.5324 -66.5324 -66.5324 -33.4890 -33.4890 -33.4861 -33.4861 -33.2135 -33.2135 -33.2093 -33.2093 -33.1880 -33.1880 -33.1866 -33.1866 -10.5224 -10.5224 -10.5214 -10.5214 2.4985 2.4985 2.5000 2.5000 4.0837 4.0837 4.0935 4.0935 4.5230 4.5230 4.5353 4.5353 12.5310 12.5310 12.5349 12.5349 16.8813 16.8813 16.8835 16.8835 k = 0.1562 0.2706 0.3364 ( 2342 PWs) bands (ev): -66.5324 -66.5324 -66.5324 -66.5324 -33.4887 -33.4887 -33.4859 -33.4859 -33.2130 -33.2130 -33.2090 -33.2090 -33.1876 -33.1876 -33.1863 -33.1863 -10.5347 -10.5347 -10.5338 -10.5338 2.5268 2.5268 2.5282 2.5282 4.1110 4.1110 4.1213 4.1213 4.5127 4.5127 4.5254 4.5254 12.4860 12.4860 12.4898 12.4898 16.9433 16.9433 16.9458 16.9458 k = 0.1510 0.2616 0.3364 ( 2350 PWs) bands (ev): -66.5325 -66.5325 -66.5325 -66.5325 -33.4883 -33.4883 -33.4856 -33.4856 -33.2125 -33.2125 -33.2088 -33.2088 -33.1873 -33.1873 -33.1861 -33.1861 -10.5470 -10.5470 -10.5462 -10.5462 2.5558 2.5558 2.5572 2.5572 4.1371 4.1371 4.1479 4.1479 4.5030 4.5030 4.5160 4.5160 12.4406 12.4406 12.4442 12.4442 17.0071 17.0071 17.0100 17.0100 k = 0.1458 0.2526 0.3364 ( 2354 PWs) bands (ev): -66.5325 -66.5325 -66.5325 -66.5325 -33.4879 -33.4879 -33.4853 -33.4853 -33.2121 -33.2121 -33.2085 -33.2085 -33.1869 -33.1869 -33.1859 -33.1859 -10.5594 -10.5594 -10.5586 -10.5586 2.5855 2.5855 2.5868 2.5868 4.1621 4.1621 4.1736 4.1736 4.4939 4.4939 4.5075 4.5075 12.3949 12.3949 12.3984 12.3984 17.0729 17.0729 17.0761 17.0761 k = 0.1406 0.2436 0.3364 ( 2354 PWs) bands (ev): -66.5326 -66.5326 -66.5326 -66.5326 -33.4876 -33.4876 -33.4850 -33.4850 -33.2116 -33.2116 -33.2083 -33.2083 -33.1866 -33.1866 -33.1856 -33.1856 -10.5717 -10.5717 -10.5709 -10.5709 2.6158 2.6158 2.6169 2.6169 4.1861 4.1861 4.1982 4.1982 4.4857 4.4857 4.4997 4.4997 12.3488 12.3488 12.3522 12.3522 17.1406 17.1406 17.1443 17.1443 k = 0.1354 0.2345 0.3364 ( 2350 PWs) bands (ev): -66.5326 -66.5326 -66.5326 -66.5326 -33.4872 -33.4872 -33.4848 -33.4848 -33.2112 -33.2112 -33.2080 -33.2080 -33.1862 -33.1862 -33.1853 -33.1853 -10.5838 -10.5838 -10.5831 -10.5831 2.6463 2.6463 2.6474 2.6474 4.2090 4.2090 4.2217 4.2217 4.4783 4.4783 4.4928 4.4928 12.3025 12.3025 12.3057 12.3057 17.2105 17.2105 17.2146 17.2146 k = 0.1302 0.2255 0.3364 ( 2346 PWs) bands (ev): -66.5327 -66.5327 -66.5327 -66.5327 -33.4868 -33.4868 -33.4845 -33.4845 -33.2107 -33.2107 -33.2077 -33.2077 -33.1858 -33.1858 -33.1851 -33.1851 -10.5959 -10.5959 -10.5952 -10.5952 2.6770 2.6770 2.6780 2.6780 4.2308 4.2308 4.2442 4.2442 4.4718 4.4718 4.4868 4.4868 12.2559 12.2559 12.2591 12.2591 17.2823 17.2823 17.2869 17.2869 k = 0.1250 0.2165 0.3364 ( 2346 PWs) bands (ev): -66.5327 -66.5327 -66.5327 -66.5327 -33.4864 -33.4864 -33.4842 -33.4842 -33.2103 -33.2103 -33.2075 -33.2075 -33.1855 -33.1855 -33.1848 -33.1848 -10.6078 -10.6078 -10.6071 -10.6071 2.7076 2.7076 2.7086 2.7086 4.2515 4.2515 4.2655 4.2655 4.4662 4.4662 4.4817 4.4817 12.2092 12.2092 12.2122 12.2122 17.3559 17.3559 17.3610 17.3610 k = 0.1198 0.2075 0.3364 ( 2350 PWs) bands (ev): -66.5328 -66.5328 -66.5328 -66.5328 -33.4861 -33.4861 -33.4839 -33.4839 -33.2099 -33.2099 -33.2072 -33.2072 -33.1851 -33.1851 -33.1845 -33.1845 -10.6196 -10.6196 -10.6189 -10.6189 2.7381 2.7381 2.7389 2.7389 4.2711 4.2711 4.2859 4.2859 4.4615 4.4615 4.4776 4.4776 12.1624 12.1624 12.1653 12.1653 17.4314 17.4314 17.4370 17.4370 k = 0.1146 0.1985 0.3364 ( 2350 PWs) bands (ev): -66.5328 -66.5328 -66.5328 -66.5328 -33.4858 -33.4858 -33.4836 -33.4836 -33.2095 -33.2095 -33.2070 -33.2070 -33.1848 -33.1848 -33.1843 -33.1843 -10.6311 -10.6311 -10.6304 -10.6304 2.7681 2.7681 2.7689 2.7689 4.2898 4.2898 4.3052 4.3052 4.4579 4.4579 4.4745 4.4745 12.1157 12.1157 12.1185 12.1185 17.5087 17.5087 17.5147 17.5147 k = 0.1094 0.1894 0.3364 ( 2350 PWs) bands (ev): -66.5329 -66.5329 -66.5329 -66.5329 -33.4854 -33.4854 -33.4834 -33.4834 -33.2091 -33.2091 -33.2067 -33.2067 -33.1844 -33.1844 -33.1840 -33.1840 -10.6423 -10.6423 -10.6417 -10.6417 2.7977 2.7977 2.7984 2.7984 4.3074 4.3074 4.3235 4.3235 4.4553 4.4553 4.4725 4.4725 12.0691 12.0691 12.0719 12.0719 17.5874 17.5874 17.5939 17.5939 k = 0.1042 0.1804 0.3364 ( 2354 PWs) bands (ev): -66.5329 -66.5329 -66.5329 -66.5329 -33.4851 -33.4851 -33.4831 -33.4831 -33.2088 -33.2088 -33.2065 -33.2065 -33.1841 -33.1841 -33.1837 -33.1837 -10.6533 -10.6533 -10.6527 -10.6527 2.8265 2.8265 2.8271 2.8271 4.3241 4.3241 4.3407 4.3407 4.4538 4.4538 4.4714 4.4714 12.0229 12.0229 12.0256 12.0256 17.6675 17.6675 17.6744 17.6744 k = 0.0990 0.1714 0.3364 ( 2350 PWs) bands (ev): -66.5330 -66.5330 -66.5330 -66.5330 -33.4848 -33.4848 -33.4829 -33.4829 -33.2084 -33.2084 -33.2063 -33.2063 -33.1838 -33.1838 -33.1834 -33.1834 -10.6639 -10.6639 -10.6633 -10.6633 2.8544 2.8544 2.8550 2.8550 4.3399 4.3399 4.3570 4.3570 4.4534 4.4534 4.4714 4.4714 11.9772 11.9772 11.9798 11.9798 17.7487 17.7487 17.7560 17.7560 k = 0.0938 0.1624 0.3364 ( 2350 PWs) bands (ev): -66.5330 -66.5330 -66.5330 -66.5330 -33.4844 -33.4844 -33.4827 -33.4826 -33.2081 -33.2081 -33.2060 -33.2060 -33.1834 -33.1834 -33.1832 -33.1832 -10.6742 -10.6742 -10.6737 -10.6737 2.8814 2.8814 2.8819 2.8819 4.3548 4.3548 4.3724 4.3724 4.4540 4.4540 4.4722 4.4722 11.9321 11.9321 11.9346 11.9346 17.8307 17.8307 17.8384 17.8384 k = 0.0885 0.1534 0.3364 ( 2356 PWs) bands (ev): -66.5331 -66.5331 -66.5331 -66.5331 -33.4842 -33.4842 -33.4824 -33.4824 -33.2078 -33.2078 -33.2058 -33.2058 -33.1831 -33.1831 -33.1829 -33.1829 -10.6841 -10.6841 -10.6836 -10.6836 2.9072 2.9072 2.9076 2.9076 4.3690 4.3690 4.3867 4.3867 4.4556 4.4556 4.4739 4.4739 11.8878 11.8878 11.8902 11.8902 17.9132 17.9132 17.9212 17.9212 k = 0.0833 0.1443 0.3364 ( 2356 PWs) bands (ev): -66.5331 -66.5331 -66.5331 -66.5331 -33.4839 -33.4839 -33.4822 -33.4822 -33.2075 -33.2075 -33.2056 -33.2056 -33.1829 -33.1829 -33.1827 -33.1827 -10.6937 -10.6937 -10.6931 -10.6931 2.9318 2.9318 2.9322 2.9322 4.3825 4.3825 4.4002 4.4002 4.4581 4.4581 4.4763 4.4763 11.8445 11.8445 11.8469 11.8469 17.9958 17.9958 18.0041 18.0041 k = 0.0781 0.1353 0.3364 ( 2356 PWs) bands (ev): -66.5331 -66.5331 -66.5331 -66.5331 -33.4836 -33.4836 -33.4820 -33.4820 -33.2072 -33.2072 -33.2054 -33.2054 -33.1826 -33.1826 -33.1824 -33.1824 -10.7027 -10.7027 -10.7022 -10.7022 2.9550 2.9550 2.9553 2.9553 4.3954 4.3954 4.4127 4.4127 4.4615 4.4615 4.4793 4.4793 11.8025 11.8025 11.8048 11.8048 18.0781 18.0781 18.0867 18.0867 k = 0.0729 0.1263 0.3364 ( 2356 PWs) bands (ev): -66.5332 -66.5332 -66.5332 -66.5332 -33.4833 -33.4833 -33.4818 -33.4818 -33.2069 -33.2069 -33.2053 -33.2053 -33.1823 -33.1823 -33.1821 -33.1821 -10.7113 -10.7113 -10.7109 -10.7109 2.9768 2.9768 2.9771 2.9771 4.4077 4.4077 4.4244 4.4245 4.4656 4.4656 4.4827 4.4827 11.7619 11.7619 11.7641 11.7641 18.1596 18.1596 18.1685 18.1685 k = 0.0677 0.1173 0.3364 ( 2344 PWs) bands (ev): -66.5332 -66.5332 -66.5332 -66.5332 -33.4830 -33.4830 -33.4816 -33.4816 -33.2066 -33.2066 -33.2051 -33.2051 -33.1820 -33.1820 -33.1819 -33.1819 -10.7194 -10.7194 -10.7190 -10.7190 2.9971 2.9971 2.9974 2.9974 4.4195 4.4195 4.4353 4.4354 4.4704 4.4704 4.4865 4.4865 11.7229 11.7229 11.7250 11.7250 18.2400 18.2400 18.2490 18.2490 k = 0.0625 0.1083 0.3364 ( 2348 PWs) bands (ev): -66.5332 -66.5332 -66.5332 -66.5332 -33.4828 -33.4828 -33.4815 -33.4815 -33.2063 -33.2063 -33.2050 -33.2049 -33.1818 -33.1817 -33.1817 -33.1817 -10.7271 -10.7271 -10.7267 -10.7267 3.0159 3.0159 3.0161 3.0161 4.4307 4.4307 4.4454 4.4454 4.4757 4.4757 4.4905 4.4905 11.6858 11.6858 11.6878 11.6878 18.3184 18.3184 18.3275 18.3275 k = 0.0573 0.0992 0.3364 ( 2348 PWs) bands (ev): -66.5333 -66.5333 -66.5333 -66.5333 -33.4825 -33.4825 -33.4813 -33.4813 -33.2061 -33.2061 -33.2048 -33.2048 -33.1815 -33.1815 -33.1815 -33.1814 -10.7341 -10.7341 -10.7338 -10.7338 3.0331 3.0331 3.0332 3.0332 4.4414 4.4414 4.4546 4.4546 4.4813 4.4813 4.4946 4.4946 11.6507 11.6507 11.6525 11.6525 18.3943 18.3943 18.4034 18.4034 k = 0.0521 0.0902 0.3364 ( 2348 PWs) bands (ev): -66.5333 -66.5333 -66.5333 -66.5333 -33.4823 -33.4823 -33.4812 -33.4812 -33.2059 -33.2059 -33.2047 -33.2047 -33.1813 -33.1813 -33.1813 -33.1813 -10.7407 -10.7407 -10.7403 -10.7403 3.0487 3.0487 3.0488 3.0488 4.4516 4.4516 4.4630 4.4630 4.4872 4.4872 4.4987 4.4987 11.6179 11.6179 11.6196 11.6196 18.4672 18.4672 18.4762 18.4762 k = 0.0469 0.0812 0.3364 ( 2344 PWs) bands (ev): -66.5333 -66.5333 -66.5333 -66.5333 -33.4821 -33.4821 -33.4811 -33.4811 -33.2056 -33.2056 -33.2046 -33.2046 -33.1811 -33.1811 -33.1811 -33.1811 -10.7466 -10.7466 -10.7463 -10.7463 3.0627 3.0627 3.0629 3.0629 4.4611 4.4611 4.4706 4.4706 4.4931 4.4931 4.5027 4.5027 11.5875 11.5875 11.5890 11.5890 18.5363 18.5363 18.5451 18.5451 k = 0.0417 0.0722 0.3364 ( 2344 PWs) bands (ev): -66.5333 -66.5333 -66.5333 -66.5333 -33.4819 -33.4819 -33.4810 -33.4810 -33.2055 -33.2055 -33.2045 -33.2045 -33.1809 -33.1809 -33.1809 -33.1809 -10.7520 -10.7520 -10.7517 -10.7517 3.0752 3.0752 3.0753 3.0753 4.4698 4.4698 4.4774 4.4774 4.4990 4.4990 4.5065 4.5065 11.5597 11.5597 11.5611 11.5611 18.6008 18.6008 18.6093 18.6093 k = 0.0365 0.0631 0.3364 ( 2340 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4817 -33.4817 -33.4809 -33.4809 -33.2053 -33.2053 -33.2044 -33.2044 -33.1807 -33.1807 -33.1807 -33.1807 -10.7568 -10.7568 -10.7566 -10.7566 3.0861 3.0861 3.0862 3.0862 4.4778 4.4778 4.4835 4.4835 4.5046 4.5046 4.5102 4.5102 11.5347 11.5347 11.5360 11.5360 18.6602 18.6602 18.6682 18.6682 k = 0.0312 0.0541 0.3364 ( 2334 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4815 -33.4815 -33.4808 -33.4808 -33.2051 -33.2051 -33.2044 -33.2044 -33.1806 -33.1806 -33.1806 -33.1806 -10.7610 -10.7610 -10.7608 -10.7608 3.0955 3.0955 3.0956 3.0956 4.4847 4.4847 4.4887 4.4887 4.5098 4.5098 4.5137 4.5137 11.5128 11.5128 11.5139 11.5139 18.7136 18.7136 18.7209 18.7209 k = 0.0260 0.0451 0.3364 ( 2334 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4814 -33.4814 -33.4808 -33.4808 -33.2050 -33.2050 -33.2044 -33.2044 -33.1805 -33.1805 -33.1805 -33.1805 -10.7645 -10.7645 -10.7643 -10.7643 3.1033 3.1033 3.1034 3.1034 4.4906 4.4906 4.4931 4.4931 4.5145 4.5145 4.5169 4.5169 11.4939 11.4939 11.4948 11.4948 18.7603 18.7603 18.7668 18.7668 k = 0.0208 0.0361 0.3364 ( 2330 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4812 -33.4812 -33.4808 -33.4808 -33.2048 -33.2048 -33.2043 -33.2043 -33.1803 -33.1803 -33.1803 -33.1803 -10.7674 -10.7674 -10.7673 -10.7673 3.1097 3.1097 3.1098 3.1098 4.4953 4.4953 4.4967 4.4967 4.5185 4.5185 4.5198 4.5198 11.4783 11.4783 11.4791 11.4791 18.7998 18.7998 18.8052 18.8052 k = 0.0156 0.0271 0.3364 ( 2326 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4811 -33.4811 -33.4808 -33.4808 -33.2047 -33.2047 -33.2043 -33.2043 -33.1802 -33.1802 -33.1802 -33.1802 -10.7697 -10.7697 -10.7696 -10.7696 3.1147 3.1147 3.1147 3.1147 4.4989 4.4989 4.4996 4.4996 4.5218 4.5218 4.5223 4.5223 11.4661 11.4661 11.4667 11.4667 18.8313 18.8313 18.8355 18.8355 k = 0.0104 0.0180 0.3364 ( 2326 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4810 -33.4810 -33.4808 -33.4808 -33.2046 -33.2046 -33.2043 -33.2043 -33.1802 -33.1802 -33.1802 -33.1802 -10.7713 -10.7713 -10.7712 -10.7712 3.1182 3.1182 3.1182 3.1182 4.5013 4.5013 4.5017 4.5017 4.5241 4.5241 4.5242 4.5242 11.4574 11.4574 11.4577 11.4577 18.8544 18.8544 18.8573 18.8573 k = 0.0052 0.0090 0.3364 ( 2322 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4809 -33.4809 -33.4808 -33.4808 -33.2045 -33.2045 -33.2044 -33.2044 -33.1801 -33.1801 -33.1801 -33.1801 -10.7723 -10.7723 -10.7722 -10.7722 3.1203 3.1203 3.1203 3.1203 4.5028 4.5028 4.5029 4.5029 4.5255 4.5255 4.5255 4.5255 11.4521 11.4521 11.4523 11.4523 18.8688 18.8688 18.8703 18.8703 k = 0.0000 0.0000 0.3364 ( 2314 PWs) bands (ev): -66.5334 -66.5334 -66.5334 -66.5334 -33.4808 -33.4808 -33.4808 -33.4808 -33.2044 -33.2044 -33.2044 -33.2044 -33.1801 -33.1801 -33.1801 -33.1801 -10.7726 -10.7726 -10.7726 -10.7726 3.1210 3.1210 3.1210 3.1210 4.5034 4.5034 4.5034 4.5034 4.5260 4.5260 4.5260 4.5260 11.4504 11.4504 11.4504 11.4504 18.8741 18.8741 18.8741 18.8741 k = 0.5000 0.2887 0.3364 ( 2356 PWs) bands (ev): -66.5317 -66.5317 -66.5317 -66.5317 -33.4925 -33.4925 -33.4925 -33.4925 -33.2176 -33.2176 -33.2176 -33.2176 -33.1902 -33.1902 -33.1902 -33.1902 -10.3430 -10.3430 -10.3430 -10.3430 1.9209 1.9209 1.9209 1.9209 4.2009 4.2009 4.2009 4.2009 4.4641 4.4641 4.4641 4.4641 12.7437 12.7437 12.7437 12.7437 16.3405 16.3405 16.3405 16.3405 k = 0.5000 0.2887 0.3262 ( 2350 PWs) bands (ev): -66.5317 -66.5317 -66.5316 -66.5316 -33.4928 -33.4928 -33.4922 -33.4922 -33.2178 -33.2178 -33.2174 -33.2174 -33.1904 -33.1904 -33.1899 -33.1899 -10.3497 -10.3497 -10.3363 -10.3363 1.9022 1.9022 1.9416 1.9416 4.1806 4.1806 4.2214 4.2214 4.4332 4.4332 4.4930 4.4930 12.7311 12.7311 12.7578 12.7578 16.3238 16.3238 16.3548 16.3548 k = 0.5000 0.2887 0.3160 ( 2344 PWs) bands (ev): -66.5318 -66.5318 -66.5316 -66.5316 -33.4930 -33.4930 -33.4920 -33.4920 -33.2180 -33.2180 -33.2171 -33.2171 -33.1907 -33.1907 -33.1897 -33.1897 -10.3565 -10.3565 -10.3296 -10.3296 1.8853 1.8853 1.9640 1.9640 4.1604 4.1604 4.2419 4.2419 4.4002 4.4002 4.5197 4.5197 12.7201 12.7201 12.7730 12.7730 16.3046 16.3046 16.3669 16.3669 k = 0.5000 0.2887 0.3058 ( 2342 PWs) bands (ev): -66.5318 -66.5318 -66.5315 -66.5315 -33.4932 -33.4932 -33.4917 -33.4917 -33.2182 -33.2182 -33.2169 -33.2169 -33.1909 -33.1909 -33.1894 -33.1894 -10.3634 -10.3634 -10.3231 -10.3231 1.8703 1.8703 1.9882 1.9882 4.1404 4.1404 4.2625 4.2625 4.3655 4.3655 4.5441 4.5441 12.7110 12.7110 12.7891 12.7891 16.2829 16.2829 16.3769 16.3769 k = 0.5000 0.2887 0.2956 ( 2338 PWs) bands (ev): -66.5318 -66.5318 -66.5315 -66.5315 -33.4935 -33.4935 -33.4914 -33.4914 -33.2184 -33.2184 -33.2166 -33.2166 -33.1912 -33.1912 -33.1892 -33.1892 -10.3702 -10.3702 -10.3167 -10.3167 1.8571 1.8571 2.0142 2.0142 4.1207 4.1207 4.2829 4.2829 4.3293 4.3293 4.5660 4.5660 12.7039 12.7039 12.8059 12.8059 16.2585 16.2585 16.3848 16.3848 k = 0.5000 0.2887 0.2854 ( 2342 PWs) bands (ev): -66.5319 -66.5319 -66.5315 -66.5315 -33.4937 -33.4937 -33.4912 -33.4912 -33.2186 -33.2186 -33.2163 -33.2163 -33.1916 -33.1916 -33.1890 -33.1890 -10.3771 -10.3771 -10.3104 -10.3104 1.8457 1.8457 2.0419 2.0419 4.1013 4.1013 4.2899 4.2899 4.3049 4.3049 4.5853 4.5853 12.6992 12.6992 12.8233 12.8233 16.2312 16.2312 16.3907 16.3907 k = 0.5000 0.2887 0.2752 ( 2338 PWs) bands (ev): -66.5319 -66.5319 -66.5314 -66.5314 -33.4939 -33.4939 -33.4909 -33.4909 -33.2187 -33.2187 -33.2160 -33.2160 -33.1919 -33.1919 -33.1889 -33.1889 -10.3839 -10.3839 -10.3042 -10.3042 1.8363 1.8363 2.0713 2.0713 4.0823 4.0823 4.2516 4.2516 4.3244 4.3244 4.6018 4.6018 12.6970 12.6970 12.8409 12.8409 16.2010 16.2010 16.3949 16.3949 k = 0.5000 0.2887 0.2650 ( 2340 PWs) bands (ev): -66.5320 -66.5320 -66.5314 -66.5314 -33.4941 -33.4941 -33.4906 -33.4906 -33.2189 -33.2189 -33.2157 -33.2157 -33.1922 -33.1922 -33.1887 -33.1887 -10.3907 -10.3907 -10.2981 -10.2981 1.8286 1.8286 2.1022 2.1022 4.0635 4.0635 4.2113 4.2113 4.3446 4.3446 4.6156 4.6156 12.6976 12.6976 12.8586 12.8586 16.1678 16.1678 16.3974 16.3974 k = 0.5000 0.2887 0.2548 ( 2336 PWs) bands (ev): -66.5320 -66.5320 -66.5313 -66.5313 -33.4943 -33.4943 -33.4904 -33.4904 -33.2190 -33.2190 -33.2154 -33.2154 -33.1926 -33.1926 -33.1886 -33.1886 -10.3974 -10.3974 -10.2923 -10.2923 1.8227 1.8227 2.1348 2.1348 4.0452 4.0452 4.1700 4.1700 4.3646 4.3646 4.6267 4.6267 12.7011 12.7011 12.8763 12.8763 16.1316 16.1316 16.3983 16.3983 k = 0.5000 0.2887 0.2446 ( 2340 PWs) bands (ev): -66.5321 -66.5321 -66.5313 -66.5313 -33.4945 -33.4945 -33.4901 -33.4901 -33.2191 -33.2191 -33.2151 -33.2151 -33.1930 -33.1929 -33.1885 -33.1885 -10.4040 -10.4040 -10.2865 -10.2865 1.8186 1.8186 2.1688 2.1688 4.0272 4.0272 4.1278 4.1278 4.3844 4.3844 4.6349 4.6349 12.7076 12.7076 12.8937 12.8937 16.0921 16.0921 16.3978 16.3978 k = 0.5000 0.2887 0.2344 ( 2340 PWs) bands (ev): -66.5321 -66.5321 -66.5312 -66.5312 -33.4947 -33.4947 -33.4898 -33.4898 -33.2192 -33.2192 -33.2148 -33.2148 -33.1933 -33.1933 -33.1884 -33.1884 -10.4106 -10.4106 -10.2810 -10.2810 1.8162 1.8162 2.2041 2.2041 4.0096 4.0096 4.0850 4.0850 4.4038 4.4038 4.6402 4.6402 12.7173 12.7173 12.9107 12.9107 16.0494 16.0494 16.3960 16.3960 k = 0.5000 0.2887 0.2242 ( 2346 PWs) bands (ev): -66.5321 -66.5321 -66.5312 -66.5312 -33.4950 -33.4950 -33.4896 -33.4896 -33.2194 -33.2194 -33.2145 -33.2145 -33.1937 -33.1937 -33.1883 -33.1883 -10.4170 -10.4170 -10.2757 -10.2757 1.8154 1.8154 2.2407 2.2407 3.9923 3.9923 4.0419 4.0419 4.4229 4.4229 4.6426 4.6426 12.7304 12.7304 12.9272 12.9272 16.0033 16.0033 16.3931 16.3931 k = 0.5000 0.2887 0.2140 ( 2346 PWs) bands (ev): -66.5322 -66.5322 -66.5312 -66.5312 -33.4951 -33.4951 -33.4893 -33.4893 -33.2194 -33.2194 -33.2141 -33.2141 -33.1941 -33.1941 -33.1882 -33.1882 -10.4233 -10.4233 -10.2705 -10.2705 1.8163 1.8163 2.2785 2.2785 3.9748 3.9748 3.9993 3.9993 4.4416 4.4416 4.6422 4.6422 12.7470 12.7470 12.9431 12.9431 15.9539 15.9539 16.3892 16.3892 k = 0.5000 0.2887 0.2039 ( 2346 PWs) bands (ev): -66.5322 -66.5322 -66.5311 -66.5311 -33.4953 -33.4953 -33.4891 -33.4891 -33.2195 -33.2195 -33.2138 -33.2138 -33.1945 -33.1945 -33.1882 -33.1882 -10.4294 -10.4294 -10.2656 -10.2656 1.8186 1.8186 2.3173 2.3173 3.9490 3.9490 3.9655 3.9655 4.4599 4.4599 4.6390 4.6390 12.7670 12.7670 12.9582 12.9582 15.9012 15.9012 16.3845 16.3845 k = 0.5000 0.2887 0.1937 ( 2348 PWs) bands (ev): -66.5323 -66.5323 -66.5311 -66.5311 -33.4955 -33.4955 -33.4888 -33.4888 -33.2196 -33.2196 -33.2134 -33.2134 -33.1949 -33.1949 -33.1881 -33.1881 -10.4354 -10.4354 -10.2608 -10.2608 1.8225 1.8225 2.3570 2.3570 3.9078 3.9078 3.9475 3.9475 4.4776 4.4776 4.6332 4.6332 12.7906 12.7906 12.9726 12.9726 15.8451 15.8451 16.3790 16.3790 k = 0.5000 0.2887 0.1835 ( 2352 PWs) bands (ev): -66.5323 -66.5323 -66.5311 -66.5311 -33.4957 -33.4957 -33.4886 -33.4886 -33.2197 -33.2197 -33.2131 -33.2131 -33.1953 -33.1953 -33.1881 -33.1881 -10.4412 -10.4412 -10.2563 -10.2563 1.8276 1.8276 2.3975 2.3975 3.8647 3.8647 3.9324 3.9324 4.4946 4.4946 4.6247 4.6247 12.8177 12.8177 12.9861 12.9861 15.7859 15.7859 16.3730 16.3730 k = 0.5000 0.2887 0.1733 ( 2344 PWs) bands (ev): -66.5323 -66.5323 -66.5310 -66.5310 -33.4958 -33.4958 -33.4884 -33.4884 -33.2197 -33.2197 -33.2127 -33.2127 -33.1957 -33.1957 -33.1880 -33.1880 -10.4468 -10.4468 -10.2520 -10.2520 1.8341 1.8341 2.4386 2.4386 3.8216 3.8216 3.9183 3.9183 4.5111 4.5111 4.6139 4.6139 12.8484 12.8484 12.9988 12.9988 15.7235 15.7235 16.3667 16.3667 k = 0.5000 0.2887 0.1631 ( 2340 PWs) bands (ev): -66.5323 -66.5323 -66.5310 -66.5310 -33.4959 -33.4959 -33.4881 -33.4881 -33.2197 -33.2197 -33.2124 -33.2124 -33.1961 -33.1961 -33.1880 -33.1880 -10.4521 -10.4521 -10.2479 -10.2479 1.8416 1.8416 2.4802 2.4802 3.7791 3.7791 3.9050 3.9050 4.5266 4.5266 4.6009 4.6009 12.8825 12.8825 13.0105 13.0105 15.6583 15.6583 16.3600 16.3600 k = 0.5000 0.2887 0.1529 ( 2336 PWs) bands (ev): -66.5324 -66.5324 -66.5310 -66.5310 -33.4960 -33.4960 -33.4879 -33.4879 -33.2197 -33.2197 -33.2120 -33.2120 -33.1964 -33.1964 -33.1880 -33.1880 -10.4573 -10.4573 -10.2440 -10.2440 1.8501 1.8501 2.5219 2.5219 3.7373 3.7373 3.8924 3.8924 4.5409 4.5409 4.5865 4.5865 12.9199 12.9199 13.0213 13.0213 15.5905 15.5905 16.3532 16.3532 k = 0.5000 0.2887 0.1427 ( 2338 PWs) bands (ev): -66.5324 -66.5324 -66.5309 -66.5309 -33.4962 -33.4962 -33.4877 -33.4877 -33.2198 -33.2198 -33.2117 -33.2117 -33.1968 -33.1968 -33.1880 -33.1880 -10.4621 -10.4621 -10.2404 -10.2404 1.8595 1.8595 2.5636 2.5636 3.6964 3.6964 3.8806 3.8806 4.5512 4.5512 4.5733 4.5733 12.9604 12.9604 13.0312 13.0312 15.5203 15.5203 16.3462 16.3462 k = 0.5000 0.2887 0.1325 ( 2338 PWs) bands (ev): -66.5324 -66.5324 -66.5309 -66.5309 -33.4963 -33.4963 -33.4875 -33.4875 -33.2198 -33.2198 -33.2113 -33.2113 -33.1972 -33.1972 -33.1880 -33.1880 -10.4668 -10.4668 -10.2370 -10.2370 1.8696 1.8696 2.6051 2.6051 3.6569 3.6569 3.8695 3.8695 4.5440 4.5440 4.5752 4.5752 13.0039 13.0039 13.0401 13.0401 15.4481 15.4481 16.3394 16.3394 k = 0.5000 0.2887 0.1223 ( 2340 PWs) bands (ev): -66.5325 -66.5325 -66.5309 -66.5309 -33.4964 -33.4964 -33.4874 -33.4874 -33.2198 -33.2198 -33.2110 -33.2110 -33.1976 -33.1976 -33.1880 -33.1880 -10.4711 -10.4711 -10.2339 -10.2339 1.8802 1.8802 2.6460 2.6460 3.6187 3.6187 3.8592 3.8592 4.5257 4.5257 4.5861 4.5861 13.0474 13.0474 13.0507 13.0507 15.3744 15.3744 16.3326 16.3326 k = 0.5000 0.2887 0.1121 ( 2336 PWs) bands (ev): -66.5325 -66.5325 -66.5309 -66.5309 -33.4964 -33.4964 -33.4872 -33.4872 -33.2198 -33.2198 -33.2106 -33.2106 -33.1979 -33.1979 -33.1881 -33.1881 -10.4751 -10.4751 -10.2310 -10.2310 1.8912 1.8912 2.6861 2.6861 3.5824 3.5824 3.8496 3.8496 4.5051 4.5051 4.5975 4.5975 13.0553 13.0553 13.0985 13.0985 15.2998 15.2998 16.3262 16.3262 k = 0.5000 0.2887 0.1019 ( 2338 PWs) bands (ev): -66.5325 -66.5325 -66.5308 -66.5308 -33.4965 -33.4965 -33.4871 -33.4871 -33.2198 -33.2198 -33.2103 -33.2103 -33.1983 -33.1983 -33.1881 -33.1881 -10.4789 -10.4789 -10.2283 -10.2283 1.9023 1.9023 2.7249 2.7249 3.5478 3.5478 3.8408 3.8408 4.4835 4.4835 4.6083 4.6083 13.0617 13.0617 13.1488 13.1488 15.2248 15.2248 16.3201 16.3201 k = 0.5000 0.2887 0.0917 ( 2338 PWs) bands (ev): -66.5325 -66.5325 -66.5308 -66.5308 -33.4966 -33.4966 -33.4869 -33.4869 -33.2198 -33.2198 -33.2100 -33.2100 -33.1986 -33.1986 -33.1881 -33.1881 -10.4823 -10.4823 -10.2259 -10.2259 1.9133 1.9133 2.7621 2.7621 3.5155 3.5155 3.8328 3.8328 4.4616 4.4616 4.6183 4.6183 13.0674 13.0674 13.2004 13.2004 15.1502 15.1502 16.3143 16.3143 k = 0.5000 0.2887 0.0815 ( 2344 PWs) bands (ev): -66.5325 -66.5325 -66.5308 -66.5308 -33.4967 -33.4967 -33.4868 -33.4868 -33.2198 -33.2198 -33.2097 -33.2097 -33.1990 -33.1990 -33.1881 -33.1881 -10.4853 -10.4853 -10.2238 -10.2238 1.9240 1.9240 2.7973 2.7973 3.4856 3.4856 3.8257 3.8257 4.4399 4.4399 4.6274 4.6274 13.0722 13.0722 13.2525 13.2525 15.0769 15.0769 16.3090 16.3090 k = 0.5000 0.2887 0.0713 ( 2344 PWs) bands (ev): -66.5326 -66.5326 -66.5308 -66.5308 -33.4967 -33.4967 -33.4867 -33.4867 -33.2198 -33.2198 -33.2095 -33.2095 -33.1993 -33.1993 -33.1882 -33.1882 -10.4881 -10.4881 -10.2219 -10.2219 1.9342 1.9342 2.8301 2.8301 3.4584 3.4584 3.8193 3.8193 4.4191 4.4191 4.6355 4.6355 13.0764 13.0764 13.3044 13.3044 15.0059 15.0059 16.3042 16.3042 k = 0.5000 0.2887 0.0612 ( 2336 PWs) bands (ev): -66.5326 -66.5326 -66.5308 -66.5308 -33.4968 -33.4968 -33.4866 -33.4866 -33.2197 -33.2197 -33.2092 -33.2092 -33.1995 -33.1995 -33.1882 -33.1882 -10.4905 -10.4905 -10.2202 -10.2202 1.9437 1.9437 2.8599 2.8599 3.4341 3.4341 3.8138 3.8138 4.3994 4.3994 4.6426 4.6426 13.0800 13.0800 13.3550 13.3550 14.9385 14.9385 16.3001 16.3001 k = 0.5000 0.2887 0.0510 ( 2336 PWs) bands (ev): -66.5326 -66.5326 -66.5308 -66.5308 -33.4968 -33.4968 -33.4865 -33.4865 -33.2197 -33.2197 -33.2089 -33.2089 -33.1998 -33.1998 -33.1882 -33.1882 -10.4925 -10.4925 -10.2188 -10.2188 1.9522 1.9522 2.8862 2.8862 3.4131 3.4131 3.8091 3.8091 4.3816 4.3816 4.6486 4.6486 13.0829 13.0829 13.4028 13.4028 14.8762 14.8762 16.2964 16.2964 k = 0.5000 0.2887 0.0408 ( 2332 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4968 -33.4968 -33.4864 -33.4864 -33.2197 -33.2197 -33.2087 -33.2087 -33.2000 -33.2000 -33.1882 -33.1882 -10.4942 -10.4942 -10.2177 -10.2177 1.9595 1.9595 2.9087 2.9087 3.3956 3.3956 3.8053 3.8053 4.3662 4.3662 4.6536 4.6536 13.0852 13.0852 13.4461 13.4461 14.8208 14.8208 16.2935 16.2935 k = 0.5000 0.2887 0.0306 ( 2332 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4969 -33.4969 -33.4863 -33.4863 -33.2197 -33.2197 -33.2086 -33.2086 -33.2001 -33.2001 -33.1882 -33.1882 -10.4955 -10.4955 -10.2168 -10.2168 1.9654 1.9654 2.9267 2.9267 3.3816 3.3816 3.8023 3.8023 4.3535 4.3535 4.6576 4.6576 13.0870 13.0870 13.4832 13.4832 14.7742 14.7742 16.2911 16.2911 k = 0.5000 0.2887 0.0204 ( 2326 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4969 -33.4969 -33.4863 -33.4863 -33.2197 -33.2197 -33.2084 -33.2084 -33.2003 -33.2003 -33.1882 -33.1882 -10.4964 -10.4964 -10.2161 -10.2161 1.9697 1.9697 2.9399 2.9399 3.3716 3.3716 3.8002 3.8002 4.3443 4.3443 4.6604 4.6604 13.0882 13.0882 13.5118 13.5118 14.7388 14.7388 16.2894 16.2894 k = 0.5000 0.2887 0.0102 ( 2326 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4969 -33.4969 -33.4862 -33.4862 -33.2197 -33.2197 -33.2084 -33.2084 -33.2003 -33.2003 -33.1882 -33.1882 -10.4970 -10.4970 -10.2158 -10.2158 1.9724 1.9724 2.9479 2.9479 3.3654 3.3654 3.7989 3.7989 4.3385 4.3385 4.6621 4.6621 13.0890 13.0890 13.5299 13.5299 14.7165 14.7165 16.2883 16.2883 k = 0.5000 0.2887-0.0000 ( 2326 PWs) bands (ev): -66.5326 -66.5326 -66.5307 -66.5307 -33.4969 -33.4969 -33.4862 -33.4862 -33.2197 -33.2197 -33.2083 -33.2083 -33.2004 -33.2004 -33.1882 -33.1882 -10.4972 -10.4972 -10.2156 -10.2156 1.9732 1.9732 2.9506 2.9506 3.3633 3.3633 3.7985 3.7985 4.3365 4.3365 4.6627 4.6627 13.0892 13.0892 13.5361 13.5361 14.7089 14.7089 16.2880 16.2880 k = 0.3333 0.5774-0.0000 ( 2352 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5002 -33.4908 -33.4898 -33.4898 -33.2166 -33.2130 -33.2130 -33.2067 -33.2045 -33.2045 -33.1945 -33.1945 -10.3086 -10.3061 -10.3052 -10.3052 2.2939 2.2939 3.1733 3.1798 3.1926 3.1926 3.8791 3.8791 3.9260 3.9355 3.9355 3.9387 13.5826 13.5826 13.7114 13.7114 15.6551 15.6608 15.6675 15.6675 k = 0.3333 0.5774 0.0102 ( 2349 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5002 -33.4908 -33.4898 -33.4898 -33.2166 -33.2131 -33.2131 -33.2067 -33.2044 -33.2044 -33.1945 -33.1945 -10.3086 -10.3061 -10.3052 -10.3052 2.2946 2.2946 3.1698 3.1762 3.1889 3.1889 3.8782 3.8782 3.9299 3.9393 3.9393 3.9425 13.5829 13.5829 13.7120 13.7120 15.6546 15.6603 15.6670 15.6670 k = 0.3333 0.5774 0.0204 ( 2349 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5002 -33.4908 -33.4898 -33.4898 -33.2165 -33.2133 -33.2133 -33.2067 -33.2043 -33.2043 -33.1945 -33.1945 -10.3084 -10.3060 -10.3051 -10.3051 2.2968 2.2968 3.1594 3.1656 3.1782 3.1782 3.8751 3.8751 3.9415 3.9505 3.9505 3.9538 13.5839 13.5839 13.7137 13.7137 15.6531 15.6588 15.6654 15.6654 k = 0.3333 0.5774 0.0306 ( 2355 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5002 -33.4908 -33.4898 -33.4898 -33.2165 -33.2136 -33.2136 -33.2067 -33.2040 -33.2040 -33.1945 -33.1945 -10.3083 -10.3058 -10.3049 -10.3049 2.3004 2.3004 3.1429 3.1486 3.1611 3.1611 3.8697 3.8697 3.9599 3.9687 3.9687 3.9717 13.5855 13.5855 13.7163 13.7163 15.6506 15.6563 15.6629 15.6629 k = 0.3333 0.5774 0.0408 ( 2355 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5002 -33.4909 -33.4899 -33.4899 -33.2165 -33.2139 -33.2139 -33.2068 -33.2037 -33.2037 -33.1944 -33.1944 -10.3080 -10.3056 -10.3046 -10.3046 2.3055 2.3055 3.1211 3.1263 3.1386 3.1386 3.8619 3.8619 3.9842 3.9929 3.9929 3.9955 13.5877 13.5877 13.7200 13.7200 15.6472 15.6528 15.6593 15.6593 k = 0.3333 0.5774 0.0510 ( 2355 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5002 -33.4910 -33.4899 -33.4899 -33.2164 -33.2143 -33.2143 -33.2068 -33.2033 -33.2033 -33.1944 -33.1944 -10.3077 -10.3053 -10.3043 -10.3043 2.3119 2.3119 3.0949 3.0996 3.1117 3.1117 3.8519 3.8519 4.0134 4.0221 4.0221 4.0241 13.5906 13.5906 13.7246 13.7246 15.6428 15.6483 15.6548 15.6548 k = 0.3333 0.5774 0.0612 ( 2352 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5002 -33.4911 -33.4899 -33.4899 -33.2163 -33.2147 -33.2147 -33.2068 -33.2029 -33.2029 -33.1944 -33.1944 -10.3073 -10.3049 -10.3039 -10.3039 2.3198 2.3198 3.0655 3.0696 3.0816 3.0816 3.8395 3.8395 4.0466 4.0553 4.0553 4.0567 13.5941 13.5941 13.7301 13.7301 15.6375 15.6430 15.6494 15.6494 k = 0.3333 0.5774 0.0713 ( 2346 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5001 -33.4912 -33.4899 -33.4898 -33.2162 -33.2152 -33.2152 -33.2068 -33.2024 -33.2024 -33.1943 -33.1943 -10.3068 -10.3045 -10.3035 -10.3035 2.3291 2.3291 3.0335 3.0372 3.0489 3.0489 3.8251 3.8251 4.0827 4.0915 4.0915 4.0922 13.5981 13.5981 13.7364 13.7364 15.6314 15.6368 15.6431 15.6431 k = 0.3333 0.5774 0.0815 ( 2331 PWs) bands (ev): -66.5314 -66.5314 -66.5314 -66.5314 -33.5000 -33.4912 -33.4898 -33.4898 -33.2160 -33.2157 -33.2157 -33.2068 -33.2019 -33.2019 -33.1942 -33.1942 -10.3063 -10.3040 -10.3030 -10.3030 2.3398 2.3398 2.9999 3.0031 3.0146 3.0146 3.8086 3.8086 4.1211 4.1300 4.1300 4.1300 13.6029 13.6029 13.7433 13.7433 15.6245 15.6298 15.6360 15.6360 k = 0.3333 0.5774 0.0917 ( 2340 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5000 -33.4914 -33.4899 -33.4899 -33.2162 -33.2162 -33.2159 -33.2069 -33.2014 -33.2014 -33.1942 -33.1942 -10.3057 -10.3035 -10.3024 -10.3024 2.3519 2.3519 2.9650 2.9678 2.9792 2.9792 3.7899 3.7899 4.1608 4.1692 4.1697 4.1697 13.6081 13.6081 13.7506 13.7506 15.6167 15.6219 15.6280 15.6280 k = 0.3333 0.5774 0.1019 ( 2340 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.5000 -33.4916 -33.4899 -33.4899 -33.2167 -33.2167 -33.2157 -33.2070 -33.2010 -33.2010 -33.1941 -33.1941 -10.3051 -10.3029 -10.3018 -10.3018 2.3654 2.3654 2.9296 2.9320 2.9432 2.9432 3.7694 3.7694 4.2016 4.2095 4.2106 4.2106 13.6138 13.6138 13.7584 13.7584 15.6082 15.6132 15.6193 15.6193 k = 0.3333 0.5774 0.1121 ( 2340 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4999 -33.4917 -33.4899 -33.4899 -33.2173 -33.2173 -33.2156 -33.2070 -33.2005 -33.2005 -33.1940 -33.1940 -10.3044 -10.3023 -10.3012 -10.3012 2.3802 2.3802 2.8939 2.8960 2.9071 2.9071 3.7470 3.7470 4.2429 4.2504 4.2520 4.2520 13.6201 13.6201 13.7665 13.7665 15.5991 15.6039 15.6099 15.6099 k = 0.3333 0.5774 0.1223 ( 2334 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5314 -33.4999 -33.4919 -33.4899 -33.4899 -33.2178 -33.2178 -33.2154 -33.2071 -33.2001 -33.2001 -33.1939 -33.1939 -10.3037 -10.3016 -10.3005 -10.3005 2.3964 2.3964 2.8584 2.8602 2.8712 2.8712 3.7228 3.7228 4.2844 4.2914 4.2936 4.2936 13.6269 13.6269 13.7747 13.7747 15.5894 15.5941 15.5999 15.5999 k = 0.3333 0.5774 0.1325 ( 2343 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4998 -33.4921 -33.4899 -33.4899 -33.2183 -33.2183 -33.2152 -33.2072 -33.1997 -33.1997 -33.1938 -33.1938 -10.3030 -10.3009 -10.2998 -10.2998 2.4139 2.4139 2.8233 2.8248 2.8357 2.8357 3.6970 3.6970 4.3256 4.3322 4.3349 4.3349 13.6342 13.6342 13.7828 13.7828 15.5792 15.5837 15.5894 15.5894 k = 0.3333 0.5774 0.1427 ( 2343 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4998 -33.4923 -33.4899 -33.4899 -33.2188 -33.2188 -33.2150 -33.2072 -33.1993 -33.1993 -33.1937 -33.1937 -10.3022 -10.3002 -10.2991 -10.2991 2.4327 2.4327 2.7889 2.7902 2.8009 2.8009 3.6696 3.6696 4.3664 4.3726 4.3757 4.3757 13.6419 13.6419 13.7909 13.7909 15.5685 15.5728 15.5784 15.5784 k = 0.3333 0.5774 0.1529 ( 2334 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4997 -33.4925 -33.4899 -33.4899 -33.2193 -33.2193 -33.2147 -33.2073 -33.1990 -33.1990 -33.1935 -33.1935 -10.3014 -10.2995 -10.2983 -10.2983 2.4528 2.4528 2.7554 2.7565 2.7672 2.7672 3.6408 3.6408 4.4065 4.4123 4.4158 4.4158 13.6500 13.6500 13.7987 13.7987 15.5576 15.5617 15.5672 15.5672 k = 0.3333 0.5774 0.1631 ( 2328 PWs) bands (ev): -66.5315 -66.5314 -66.5314 -66.5314 -33.4996 -33.4927 -33.4899 -33.4899 -33.2197 -33.2197 -33.2145 -33.2074 -33.1986 -33.1986 -33.1933 -33.1933 -10.3006 -10.2988 -10.2975 -10.2975 2.4741 2.4741 2.7230 2.7239 2.7345 2.7345 3.6107 3.6107 4.4455 4.4510 4.4549 4.4549 13.6584 13.6584 13.8061 13.8061 15.5463 15.5503 15.5556 15.5556 k = 0.3333 0.5774 0.1733 ( 2328 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5314 -33.4995 -33.4929 -33.4899 -33.4899 -33.2202 -33.2202 -33.2143 -33.2075 -33.1984 -33.1984 -33.1931 -33.1931 -10.2998 -10.2981 -10.2968 -10.2968 2.4967 2.4967 2.6918 2.6925 2.7030 2.7030 3.5793 3.5793 4.4834 4.4885 4.4928 4.4928 13.6672 13.6672 13.8130 13.8130 15.5350 15.5387 15.5439 15.5439 k = 0.3333 0.5774 0.1835 ( 2328 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4994 -33.4932 -33.4900 -33.4900 -33.2206 -33.2206 -33.2140 -33.2076 -33.1981 -33.1981 -33.1928 -33.1928 -10.2990 -10.2974 -10.2960 -10.2960 2.5204 2.5204 2.6619 2.6625 2.6729 2.6729 3.5468 3.5468 4.5199 4.5246 4.5293 4.5293 13.6763 13.6763 13.8193 13.8193 15.5236 15.5271 15.5322 15.5322 k = 0.3333 0.5774 0.1937 ( 2328 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4993 -33.4934 -33.4900 -33.4900 -33.2210 -33.2210 -33.2138 -33.2077 -33.1979 -33.1979 -33.1926 -33.1926 -10.2982 -10.2966 -10.2953 -10.2953 2.5453 2.5453 2.6334 2.6340 2.6443 2.6443 3.5132 3.5132 4.5548 4.5593 4.5642 4.5643 13.6856 13.6856 13.8249 13.8249 15.5123 15.5156 15.5206 15.5206 k = 0.3333 0.5774 0.2039 ( 2334 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4992 -33.4937 -33.4900 -33.4900 -33.2214 -33.2214 -33.2135 -33.2078 -33.1978 -33.1978 -33.1924 -33.1924 -10.2974 -10.2960 -10.2945 -10.2945 2.5712 2.5712 2.6065 2.6070 2.6174 2.6174 3.4788 3.4788 4.5880 4.5921 4.5974 4.5974 13.6951 13.6951 13.8297 13.8297 15.5011 15.5042 15.5091 15.5091 k = 0.3333 0.5774 0.2140 ( 2334 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4990 -33.4940 -33.4900 -33.4900 -33.2218 -33.2218 -33.2133 -33.2080 -33.1977 -33.1977 -33.1922 -33.1922 -10.2966 -10.2953 -10.2938 -10.2938 2.5813 2.5817 2.5902 2.5902 2.6003 2.6003 3.4435 3.4435 4.6194 4.6232 4.6288 4.6288 13.7048 13.7048 13.8337 13.8337 15.4903 15.4932 15.4980 15.4980 k = 0.3333 0.5774 0.2242 ( 2340 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4989 -33.4942 -33.4901 -33.4901 -33.2221 -33.2221 -33.2131 -33.2081 -33.1975 -33.1975 -33.1919 -33.1919 -10.2959 -10.2947 -10.2931 -10.2931 2.5578 2.5581 2.5679 2.5679 2.6272 2.6272 3.4075 3.4075 4.6487 4.6522 4.6581 4.6581 13.7145 13.7145 13.8369 13.8369 15.4798 15.4825 15.4872 15.4872 k = 0.3333 0.5774 0.2344 ( 2337 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4988 -33.4945 -33.4901 -33.4901 -33.2225 -33.2225 -33.2128 -33.2083 -33.1974 -33.1974 -33.1917 -33.1917 -10.2952 -10.2941 -10.2925 -10.2925 2.5362 2.5364 2.5462 2.5462 2.6564 2.6564 3.3710 3.3710 4.6760 4.6792 4.6854 4.6854 13.7243 13.7243 13.8391 13.8391 15.4699 15.4723 15.4770 15.4770 k = 0.3333 0.5774 0.2446 ( 2337 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4986 -33.4947 -33.4901 -33.4901 -33.2227 -33.2227 -33.2125 -33.2084 -33.1974 -33.1974 -33.1915 -33.1915 -10.2946 -10.2935 -10.2919 -10.2919 2.5164 2.5166 2.5264 2.5264 2.6866 2.6866 3.3340 3.3340 4.7011 4.7039 4.7104 4.7104 13.7341 13.7341 13.8405 13.8405 15.4606 15.4628 15.4674 15.4674 k = 0.3333 0.5774 0.2548 ( 2337 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4985 -33.4950 -33.4901 -33.4901 -33.2230 -33.2230 -33.2123 -33.2086 -33.1973 -33.1973 -33.1913 -33.1913 -10.2939 -10.2930 -10.2913 -10.2913 2.4986 2.4987 2.5085 2.5085 2.7178 2.7178 3.2966 3.2966 4.7238 4.7263 4.7330 4.7330 13.7438 13.7438 13.8408 13.8408 15.4520 15.4539 15.4585 15.4585 k = 0.3333 0.5774 0.2650 ( 2343 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4983 -33.4953 -33.4901 -33.4901 -33.2233 -33.2233 -33.2120 -33.2088 -33.1973 -33.1973 -33.1911 -33.1911 -10.2934 -10.2926 -10.2909 -10.2909 2.4827 2.4828 2.4925 2.4925 2.7499 2.7499 3.2589 3.2589 4.7441 4.7463 4.7533 4.7533 13.7533 13.7533 13.8403 13.8403 15.4441 15.4458 15.4504 15.4504 k = 0.3333 0.5774 0.2752 ( 2337 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4982 -33.4955 -33.4901 -33.4901 -33.2234 -33.2234 -33.2117 -33.2090 -33.1972 -33.1972 -33.1909 -33.1909 -10.2929 -10.2922 -10.2904 -10.2904 2.4689 2.4690 2.4787 2.4787 2.7828 2.7828 3.2210 3.2210 4.7619 4.7638 4.7710 4.7710 13.7626 13.7626 13.8388 13.8388 15.4373 15.4388 15.4433 15.4433 k = 0.3333 0.5774 0.2854 ( 2331 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4980 -33.4957 -33.4901 -33.4901 -33.2236 -33.2236 -33.2114 -33.2091 -33.1972 -33.1972 -33.1908 -33.1907 -10.2924 -10.2919 -10.2900 -10.2900 2.4572 2.4572 2.4669 2.4669 2.8165 2.8165 3.1830 3.1830 4.7772 4.7787 4.7861 4.7861 13.7718 13.7718 13.8365 13.8365 15.4314 15.4326 15.4372 15.4372 k = 0.3333 0.5774 0.2956 ( 2325 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4977 -33.4960 -33.4901 -33.4901 -33.2237 -33.2237 -33.2112 -33.2093 -33.1971 -33.1971 -33.1906 -33.1906 -10.2921 -10.2916 -10.2897 -10.2897 2.4475 2.4476 2.4572 2.4572 2.8510 2.8510 3.1451 3.1451 4.7897 4.7910 4.7986 4.7986 13.7806 13.7806 13.8333 13.8333 15.4264 15.4274 15.4320 15.4320 k = 0.3333 0.5774 0.3058 ( 2319 PWs) bands (ev): -66.5314 -66.5314 -66.5314 -66.5314 -33.4975 -33.4962 -33.4901 -33.4901 -33.2238 -33.2238 -33.2109 -33.2095 -33.1971 -33.1971 -33.1905 -33.1905 -10.2917 -10.2914 -10.2894 -10.2894 2.4400 2.4400 2.4497 2.4497 2.8861 2.8861 3.1074 3.1074 4.7996 4.8005 4.8084 4.8084 13.7889 13.7889 13.8293 13.8293 15.4226 15.4233 15.4280 15.4280 k = 0.3333 0.5774 0.3160 ( 2322 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5314 -33.4973 -33.4964 -33.4901 -33.4901 -33.2239 -33.2239 -33.2107 -33.2098 -33.1971 -33.1971 -33.1904 -33.1904 -10.2915 -10.2913 -10.2893 -10.2893 2.4346 2.4346 2.4442 2.4442 2.9218 2.9218 3.0697 3.0697 4.8067 4.8073 4.8153 4.8153 13.7967 13.7967 13.8247 13.8247 15.4197 15.4202 15.4250 15.4250 k = 0.3333 0.5774 0.3262 ( 2322 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5314 -33.4971 -33.4967 -33.4901 -33.4901 -33.2239 -33.2239 -33.2104 -33.2100 -33.1970 -33.1970 -33.1904 -33.1904 -10.2913 -10.2912 -10.2891 -10.2891 2.4313 2.4313 2.4410 2.4410 2.9579 2.9579 3.0324 3.0324 4.8110 4.8113 4.8195 4.8195 13.8035 13.8035 13.8197 13.8197 15.4181 15.4183 15.4232 15.4232 k = 0.3333 0.5774 0.3364 ( 2328 PWs) bands (ev): -66.5315 -66.5315 -66.5315 -66.5315 -33.4969 -33.4969 -33.4901 -33.4901 -33.2240 -33.2240 -33.2102 -33.2102 -33.1971 -33.1971 -33.1904 -33.1904 -10.2913 -10.2913 -10.2891 -10.2891 2.4303 2.4303 2.4399 2.4399 2.9899 2.9899 2.9999 2.9999 4.8126 4.8126 4.8209 4.8209 13.8073 13.8073 13.8166 13.8166 15.4176 15.4176 15.4226 15.4226 Writing output data file MgO.save init_run : 2.88s CPU 11.78s WALL ( 1 calls) electrons : 235.41s CPU 242.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.33s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 235.36s CPU 241.63s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.98s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.09s CPU 0.59s WALL ( 1 calls) newd : 0.26s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.08s WALL ( 412 calls) cegterg : 203.35s CPU 204.95s WALL ( 568 calls) Called by sum_band: Called by *egterg: h_psi : 75.62s CPU 80.77s WALL ( 9236 calls) s_psi : 3.32s CPU 3.98s WALL ( 9236 calls) g_psi : 0.23s CPU 0.33s WALL ( 8256 calls) cdiaghg : 88.01s CPU 86.78s WALL ( 8668 calls) cegterg:over : 22.34s CPU 19.84s WALL ( 8256 calls) cegterg:upda : 2.04s CPU 3.84s WALL ( 8256 calls) cegterg:last : 2.56s CPU 3.19s WALL ( 1722 calls) Called by h_psi: h_psi:vloc : 64.32s CPU 68.77s WALL ( 9236 calls) h_psi:vnl : 11.25s CPU 11.67s WALL ( 9236 calls) add_vuspsi : 1.14s CPU 3.10s WALL ( 9236 calls) General routines calbec : 10.09s CPU 8.48s WALL ( 9236 calls) fft : 0.35s CPU 1.20s WALL ( 19 calls) ffts : 0.01s CPU 0.09s WALL ( 4 calls) fftw : 60.31s CPU 63.87s WALL ( 819608 calls) interpolate : 0.03s CPU 0.10s WALL ( 4 calls) davcio : 0.02s CPU 3.07s WALL ( 824 calls) Parallel routines fft_scatter : 47.69s CPU 49.60s WALL ( 819631 calls) PWSCF : 4m51.17s CPU 8m49.97s WALL This run was terminated on: 17:40:40 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=