Program PWSCF v.5.1.1 starts on 16Jul2015 at 14:48:18 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./InSb.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 19 13 4 675 371 66 Max 21 14 5 680 381 70 Sum 615 421 137 21627 12019 2193 bravais-lattice index = 14 lattice parameter (alat) = 5.5274 a.u. unit-cell volume = 340.0483 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.527449 celldm(2)= 1.048547 celldm(3)= 1.920342 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.048547 0.000000 ) a(3) = ( 0.000000 0.000000 1.920342 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.953701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.520741 ) PseudoPot. # 1 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Sb 5.00 121.76000 Sb( 1.00) 4 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 548 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 2) = ( 0.0092593 -0.0000000 -0.0000000), wk = 0.0018248 k( 3) = ( 0.0185185 -0.0000000 -0.0000000), wk = 0.0018248 k( 4) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0018248 k( 5) = ( 0.0370370 -0.0000000 -0.0000000), wk = 0.0018248 k( 6) = ( 0.0462963 -0.0000000 -0.0000000), wk = 0.0018248 k( 7) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 8) = ( 0.0648148 -0.0000000 -0.0000000), wk = 0.0018248 k( 9) = ( 0.0740741 -0.0000000 -0.0000000), wk = 0.0018248 k( 10) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0018248 k( 11) = ( 0.0925926 -0.0000000 -0.0000000), wk = 0.0018248 k( 12) = ( 0.1018518 -0.0000000 -0.0000000), wk = 0.0018248 k( 13) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 14) = ( 0.1203704 -0.0000000 -0.0000000), wk = 0.0018248 k( 15) = ( 0.1296296 -0.0000000 -0.0000000), wk = 0.0018248 k( 16) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0018248 k( 17) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0018248 k( 18) = ( 0.1574074 -0.0000000 -0.0000000), wk = 0.0018248 k( 19) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0018248 k( 20) = ( 0.1759259 -0.0000000 -0.0000000), wk = 0.0018248 k( 21) = ( 0.1851852 -0.0000000 -0.0000000), wk = 0.0018248 k( 22) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0018248 k( 23) = ( 0.2037037 -0.0000000 -0.0000000), wk = 0.0018248 k( 24) = ( 0.2129630 -0.0000000 -0.0000000), wk = 0.0018248 k( 25) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0018248 k( 26) = ( 0.2314815 -0.0000000 -0.0000000), wk = 0.0018248 k( 27) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0018248 k( 28) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0018248 k( 29) = ( 0.2592593 -0.0000000 -0.0000000), wk = 0.0018248 k( 30) = ( 0.2685185 -0.0000000 -0.0000000), wk = 0.0018248 k( 31) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 32) = ( 0.2870370 -0.0000000 -0.0000000), wk = 0.0018248 k( 33) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0018248 k( 34) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0018248 k( 35) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0018248 k( 36) = ( 0.3240741 -0.0000000 -0.0000000), wk = 0.0018248 k( 37) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0018248 k( 38) = ( 0.3425926 -0.0000000 -0.0000000), wk = 0.0018248 k( 39) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0018248 k( 40) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0018248 k( 41) = ( 0.3703704 -0.0000000 -0.0000000), wk = 0.0018248 k( 42) = ( 0.3796296 -0.0000000 -0.0000000), wk = 0.0018248 k( 43) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0018248 k( 44) = ( 0.3981481 -0.0000000 -0.0000000), wk = 0.0018248 k( 45) = ( 0.4074074 -0.0000000 -0.0000000), wk = 0.0018248 k( 46) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0018248 k( 47) = ( 0.4259259 -0.0000000 -0.0000000), wk = 0.0018248 k( 48) = ( 0.4351852 -0.0000000 -0.0000000), wk = 0.0018248 k( 49) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0018248 k( 50) = ( 0.4537037 -0.0000000 -0.0000000), wk = 0.0018248 k( 51) = ( 0.4629630 -0.0000000 -0.0000000), wk = 0.0018248 k( 52) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0018248 k( 53) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0018248 k( 54) = ( 0.4907407 -0.0000000 -0.0000000), wk = 0.0018248 k( 55) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 56) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 57) = ( 0.5000000 0.0091702 -0.0000000), wk = 0.0018248 k( 58) = ( 0.5000000 0.0183404 -0.0000000), wk = 0.0018248 k( 59) = ( 0.5000000 0.0275106 -0.0000000), wk = 0.0018248 k( 60) = ( 0.5000000 0.0366808 -0.0000000), wk = 0.0018248 k( 61) = ( 0.5000000 0.0458510 -0.0000000), wk = 0.0018248 k( 62) = ( 0.5000000 0.0550212 -0.0000000), wk = 0.0018248 k( 63) = ( 0.5000000 0.0641914 -0.0000000), wk = 0.0018248 k( 64) = ( 0.5000000 0.0733616 -0.0000000), wk = 0.0018248 k( 65) = ( 0.5000000 0.0825318 -0.0000000), wk = 0.0018248 k( 66) = ( 0.5000000 0.0917020 -0.0000000), wk = 0.0018248 k( 67) = ( 0.5000000 0.1008722 -0.0000000), wk = 0.0018248 k( 68) = ( 0.5000000 0.1100424 -0.0000000), wk = 0.0018248 k( 69) = ( 0.5000000 0.1192126 -0.0000000), wk = 0.0018248 k( 70) = ( 0.5000000 0.1283828 -0.0000000), wk = 0.0018248 k( 71) = ( 0.5000000 0.1375530 -0.0000000), wk = 0.0018248 k( 72) = ( 0.5000000 0.1467232 -0.0000000), wk = 0.0018248 k( 73) = ( 0.5000000 0.1558934 -0.0000000), wk = 0.0018248 k( 74) = ( 0.5000000 0.1650636 -0.0000000), wk = 0.0018248 k( 75) = ( 0.5000000 0.1742338 -0.0000000), wk = 0.0018248 k( 76) = ( 0.5000000 0.1834040 -0.0000000), wk = 0.0018248 k( 77) = ( 0.5000000 0.1925742 -0.0000000), wk = 0.0018248 k( 78) = ( 0.5000000 0.2017444 -0.0000000), wk = 0.0018248 k( 79) = ( 0.5000000 0.2109146 -0.0000000), wk = 0.0018248 k( 80) = ( 0.5000000 0.2200848 -0.0000000), wk = 0.0018248 k( 81) = ( 0.5000000 0.2292550 -0.0000000), wk = 0.0018248 k( 82) = ( 0.5000000 0.2384252 -0.0000000), wk = 0.0018248 k( 83) = ( 0.5000000 0.2475954 -0.0000000), wk = 0.0018248 k( 84) = ( 0.5000000 0.2567656 -0.0000000), wk = 0.0018248 k( 85) = ( 0.5000000 0.2659358 -0.0000000), wk = 0.0018248 k( 86) = ( 0.5000000 0.2751060 -0.0000000), wk = 0.0018248 k( 87) = ( 0.5000000 0.2842762 -0.0000000), wk = 0.0018248 k( 88) = ( 0.5000000 0.2934464 -0.0000000), wk = 0.0018248 k( 89) = ( 0.5000000 0.3026166 -0.0000000), wk = 0.0018248 k( 90) = ( 0.5000000 0.3117868 -0.0000000), wk = 0.0018248 k( 91) = ( 0.5000000 0.3209570 -0.0000000), wk = 0.0018248 k( 92) = ( 0.5000000 0.3301272 -0.0000000), wk = 0.0018248 k( 93) = ( 0.5000000 0.3392974 -0.0000000), wk = 0.0018248 k( 94) = ( 0.5000000 0.3484676 -0.0000000), wk = 0.0018248 k( 95) = ( 0.5000000 0.3576378 -0.0000000), wk = 0.0018248 k( 96) = ( 0.5000000 0.3668080 -0.0000000), wk = 0.0018248 k( 97) = ( 0.5000000 0.3759782 -0.0000000), wk = 0.0018248 k( 98) = ( 0.5000000 0.3851483 -0.0000000), wk = 0.0018248 k( 99) = ( 0.5000000 0.3943186 -0.0000000), wk = 0.0018248 k( 100) = ( 0.5000000 0.4034887 -0.0000000), wk = 0.0018248 k( 101) = ( 0.5000000 0.4126590 -0.0000000), wk = 0.0018248 k( 102) = ( 0.5000000 0.4218291 -0.0000000), wk = 0.0018248 k( 103) = ( 0.5000000 0.4309994 -0.0000000), wk = 0.0018248 k( 104) = ( 0.5000000 0.4401695 -0.0000000), wk = 0.0018248 k( 105) = ( 0.5000000 0.4493397 -0.0000000), wk = 0.0018248 k( 106) = ( 0.5000000 0.4585099 -0.0000000), wk = 0.0018248 k( 107) = ( 0.5000000 0.4676801 -0.0000000), wk = 0.0018248 k( 108) = ( 0.5000000 0.4768503 -0.0000000), wk = 0.0018248 k( 109) = ( 0.5000000 0.4768503 -0.0000000), wk = 0.0018248 k( 110) = ( 0.4907407 0.4768503 -0.0000000), wk = 0.0018248 k( 111) = ( 0.4814815 0.4768503 -0.0000000), wk = 0.0018248 k( 112) = ( 0.4722222 0.4768503 -0.0000000), wk = 0.0018248 k( 113) = ( 0.4629630 0.4768503 -0.0000000), wk = 0.0018248 k( 114) = ( 0.4537037 0.4768503 -0.0000000), wk = 0.0018248 k( 115) = ( 0.4444444 0.4768503 -0.0000000), wk = 0.0018248 k( 116) = ( 0.4351852 0.4768503 -0.0000000), wk = 0.0018248 k( 117) = ( 0.4259259 0.4768503 -0.0000000), wk = 0.0018248 k( 118) = ( 0.4166667 0.4768503 -0.0000000), wk = 0.0018248 k( 119) = ( 0.4074074 0.4768503 -0.0000000), wk = 0.0018248 k( 120) = ( 0.3981481 0.4768503 -0.0000000), wk = 0.0018248 k( 121) = ( 0.3888889 0.4768503 -0.0000000), wk = 0.0018248 k( 122) = ( 0.3796296 0.4768503 -0.0000000), wk = 0.0018248 k( 123) = ( 0.3703704 0.4768503 -0.0000000), wk = 0.0018248 k( 124) = ( 0.3611111 0.4768503 -0.0000000), wk = 0.0018248 k( 125) = ( 0.3518519 0.4768503 -0.0000000), wk = 0.0018248 k( 126) = ( 0.3425926 0.4768503 -0.0000000), wk = 0.0018248 k( 127) = ( 0.3333333 0.4768503 -0.0000000), wk = 0.0018248 k( 128) = ( 0.3240741 0.4768503 -0.0000000), wk = 0.0018248 k( 129) = ( 0.3148148 0.4768503 -0.0000000), wk = 0.0018248 k( 130) = ( 0.3055556 0.4768503 -0.0000000), wk = 0.0018248 k( 131) = ( 0.2962963 0.4768503 -0.0000000), wk = 0.0018248 k( 132) = ( 0.2870370 0.4768503 -0.0000000), wk = 0.0018248 k( 133) = ( 0.2777778 0.4768503 -0.0000000), wk = 0.0018248 k( 134) = ( 0.2685185 0.4768503 -0.0000000), wk = 0.0018248 k( 135) = ( 0.2592593 0.4768503 -0.0000000), wk = 0.0018248 k( 136) = ( 0.2500000 0.4768503 -0.0000000), wk = 0.0018248 k( 137) = ( 0.2407407 0.4768503 -0.0000000), wk = 0.0018248 k( 138) = ( 0.2314815 0.4768503 -0.0000000), wk = 0.0018248 k( 139) = ( 0.2222222 0.4768503 -0.0000000), wk = 0.0018248 k( 140) = ( 0.2129630 0.4768503 -0.0000000), wk = 0.0018248 k( 141) = ( 0.2037037 0.4768503 -0.0000000), wk = 0.0018248 k( 142) = ( 0.1944444 0.4768503 -0.0000000), wk = 0.0018248 k( 143) = ( 0.1851852 0.4768503 -0.0000000), wk = 0.0018248 k( 144) = ( 0.1759259 0.4768503 -0.0000000), wk = 0.0018248 k( 145) = ( 0.1666667 0.4768503 -0.0000000), wk = 0.0018248 k( 146) = ( 0.1574074 0.4768503 -0.0000000), wk = 0.0018248 k( 147) = ( 0.1481482 0.4768503 -0.0000000), wk = 0.0018248 k( 148) = ( 0.1388889 0.4768503 -0.0000000), wk = 0.0018248 k( 149) = ( 0.1296296 0.4768503 -0.0000000), wk = 0.0018248 k( 150) = ( 0.1203704 0.4768503 -0.0000000), wk = 0.0018248 k( 151) = ( 0.1111111 0.4768503 -0.0000000), wk = 0.0018248 k( 152) = ( 0.1018518 0.4768503 -0.0000000), wk = 0.0018248 k( 153) = ( 0.0925926 0.4768503 -0.0000000), wk = 0.0018248 k( 154) = ( 0.0833333 0.4768503 -0.0000000), wk = 0.0018248 k( 155) = ( 0.0740741 0.4768503 -0.0000000), wk = 0.0018248 k( 156) = ( 0.0648148 0.4768503 -0.0000000), wk = 0.0018248 k( 157) = ( 0.0555556 0.4768503 -0.0000000), wk = 0.0018248 k( 158) = ( 0.0462963 0.4768503 -0.0000000), wk = 0.0018248 k( 159) = ( 0.0370370 0.4768503 -0.0000000), wk = 0.0018248 k( 160) = ( 0.0277778 0.4768503 -0.0000000), wk = 0.0018248 k( 161) = ( 0.0185185 0.4768503 -0.0000000), wk = 0.0018248 k( 162) = ( 0.0092593 0.4768503 -0.0000000), wk = 0.0018248 k( 163) = ( 0.0000000 0.4768503 -0.0000000), wk = 0.0018248 k( 164) = ( 0.0000000 0.4768503 -0.0000000), wk = 0.0018248 k( 165) = ( 0.0000000 0.4676801 -0.0000000), wk = 0.0018248 k( 166) = ( 0.0000000 0.4585099 -0.0000000), wk = 0.0018248 k( 167) = ( 0.0000000 0.4493397 -0.0000000), wk = 0.0018248 k( 168) = ( 0.0000000 0.4401695 -0.0000000), wk = 0.0018248 k( 169) = ( 0.0000000 0.4309994 -0.0000000), wk = 0.0018248 k( 170) = ( 0.0000000 0.4218291 -0.0000000), wk = 0.0018248 k( 171) = ( 0.0000000 0.4126590 -0.0000000), wk = 0.0018248 k( 172) = ( 0.0000000 0.4034887 -0.0000000), wk = 0.0018248 k( 173) = ( 0.0000000 0.3943186 -0.0000000), wk = 0.0018248 k( 174) = ( 0.0000000 0.3851483 -0.0000000), wk = 0.0018248 k( 175) = ( 0.0000000 0.3759782 -0.0000000), wk = 0.0018248 k( 176) = ( 0.0000000 0.3668080 -0.0000000), wk = 0.0018248 k( 177) = ( 0.0000000 0.3576378 -0.0000000), wk = 0.0018248 k( 178) = ( 0.0000000 0.3484676 -0.0000000), wk = 0.0018248 k( 179) = ( 0.0000000 0.3392974 -0.0000000), wk = 0.0018248 k( 180) = ( 0.0000000 0.3301272 -0.0000000), wk = 0.0018248 k( 181) = ( 0.0000000 0.3209570 -0.0000000), wk = 0.0018248 k( 182) = ( 0.0000000 0.3117868 -0.0000000), wk = 0.0018248 k( 183) = ( 0.0000000 0.3026166 -0.0000000), wk = 0.0018248 k( 184) = ( 0.0000000 0.2934464 -0.0000000), wk = 0.0018248 k( 185) = ( 0.0000000 0.2842762 -0.0000000), wk = 0.0018248 k( 186) = ( 0.0000000 0.2751060 -0.0000000), wk = 0.0018248 k( 187) = ( 0.0000000 0.2659358 -0.0000000), wk = 0.0018248 k( 188) = ( 0.0000000 0.2567656 -0.0000000), wk = 0.0018248 k( 189) = ( 0.0000000 0.2475954 -0.0000000), wk = 0.0018248 k( 190) = ( 0.0000000 0.2384252 -0.0000000), wk = 0.0018248 k( 191) = ( 0.0000000 0.2292550 -0.0000000), wk = 0.0018248 k( 192) = ( 0.0000000 0.2200848 -0.0000000), wk = 0.0018248 k( 193) = ( 0.0000000 0.2109146 -0.0000000), wk = 0.0018248 k( 194) = ( 0.0000000 0.2017444 -0.0000000), wk = 0.0018248 k( 195) = ( 0.0000000 0.1925742 -0.0000000), wk = 0.0018248 k( 196) = ( 0.0000000 0.1834040 -0.0000000), wk = 0.0018248 k( 197) = ( 0.0000000 0.1742338 -0.0000000), wk = 0.0018248 k( 198) = ( 0.0000000 0.1650636 -0.0000000), wk = 0.0018248 k( 199) = ( 0.0000000 0.1558934 -0.0000000), wk = 0.0018248 k( 200) = ( 0.0000000 0.1467232 -0.0000000), wk = 0.0018248 k( 201) = ( 0.0000000 0.1375530 -0.0000000), wk = 0.0018248 k( 202) = ( 0.0000000 0.1283828 -0.0000000), wk = 0.0018248 k( 203) = ( 0.0000000 0.1192126 -0.0000000), wk = 0.0018248 k( 204) = ( 0.0000000 0.1100424 -0.0000000), wk = 0.0018248 k( 205) = ( 0.0000000 0.1008722 -0.0000000), wk = 0.0018248 k( 206) = ( 0.0000000 0.0917020 -0.0000000), wk = 0.0018248 k( 207) = ( 0.0000000 0.0825318 -0.0000000), wk = 0.0018248 k( 208) = ( 0.0000000 0.0733616 -0.0000000), wk = 0.0018248 k( 209) = ( 0.0000000 0.0641914 -0.0000000), wk = 0.0018248 k( 210) = ( 0.0000000 0.0550212 -0.0000000), wk = 0.0018248 k( 211) = ( 0.0000000 0.0458510 -0.0000000), wk = 0.0018248 k( 212) = ( 0.0000000 0.0366808 -0.0000000), wk = 0.0018248 k( 213) = ( 0.0000000 0.0275106 -0.0000000), wk = 0.0018248 k( 214) = ( 0.0000000 0.0183404 -0.0000000), wk = 0.0018248 k( 215) = ( 0.0000000 0.0091702 -0.0000000), wk = 0.0018248 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 218) = ( 0.0000000 0.0000000 0.0092989), wk = 0.0018248 k( 219) = ( 0.0000000 0.0000000 0.0185979), wk = 0.0018248 k( 220) = ( 0.0000000 0.0000000 0.0278968), wk = 0.0018248 k( 221) = ( 0.0000000 0.0000000 0.0371958), wk = 0.0018248 k( 222) = ( 0.0000000 0.0000000 0.0464947), wk = 0.0018248 k( 223) = ( 0.0000000 0.0000000 0.0557936), wk = 0.0018248 k( 224) = ( 0.0000000 0.0000000 0.0650926), wk = 0.0018248 k( 225) = ( 0.0000000 0.0000000 0.0743915), wk = 0.0018248 k( 226) = ( 0.0000000 0.0000000 0.0836905), wk = 0.0018248 k( 227) = ( 0.0000000 0.0000000 0.0929894), wk = 0.0018248 k( 228) = ( 0.0000000 0.0000000 0.1022883), wk = 0.0018248 k( 229) = ( 0.0000000 0.0000000 0.1115873), wk = 0.0018248 k( 230) = ( 0.0000000 0.0000000 0.1208862), wk = 0.0018248 k( 231) = ( 0.0000000 0.0000000 0.1301852), wk = 0.0018248 k( 232) = ( 0.0000000 0.0000000 0.1394841), wk = 0.0018248 k( 233) = ( 0.0000000 0.0000000 0.1487830), wk = 0.0018248 k( 234) = ( 0.0000000 0.0000000 0.1580820), wk = 0.0018248 k( 235) = ( 0.0000000 0.0000000 0.1673809), wk = 0.0018248 k( 236) = ( 0.0000000 0.0000000 0.1766798), wk = 0.0018248 k( 237) = ( 0.0000000 0.0000000 0.1859788), wk = 0.0018248 k( 238) = ( 0.0000000 0.0000000 0.1952777), wk = 0.0018248 k( 239) = ( 0.0000000 0.0000000 0.2045767), wk = 0.0018248 k( 240) = ( 0.0000000 0.0000000 0.2138756), wk = 0.0018248 k( 241) = ( 0.0000000 0.0000000 0.2231745), wk = 0.0018248 k( 242) = ( 0.0000000 0.0000000 0.2324735), wk = 0.0018248 k( 243) = ( 0.0000000 0.0000000 0.2417724), wk = 0.0018248 k( 244) = ( 0.0000000 0.0000000 0.2510714), wk = 0.0018248 k( 245) = ( 0.0000000 0.0000000 0.2603703), wk = 0.0018248 k( 246) = ( 0.0000000 0.0000000 0.2603703), wk = 0.0018248 k( 247) = ( 0.0092593 -0.0000000 0.2603703), wk = 0.0018248 k( 248) = ( 0.0185185 -0.0000000 0.2603703), wk = 0.0018248 k( 249) = ( 0.0277778 -0.0000000 0.2603703), wk = 0.0018248 k( 250) = ( 0.0370370 -0.0000000 0.2603703), wk = 0.0018248 k( 251) = ( 0.0462963 -0.0000000 0.2603703), wk = 0.0018248 k( 252) = ( 0.0555556 -0.0000000 0.2603703), wk = 0.0018248 k( 253) = ( 0.0648148 -0.0000000 0.2603703), wk = 0.0018248 k( 254) = ( 0.0740741 -0.0000000 0.2603703), wk = 0.0018248 k( 255) = ( 0.0833333 -0.0000000 0.2603703), wk = 0.0018248 k( 256) = ( 0.0925926 -0.0000000 0.2603703), wk = 0.0018248 k( 257) = ( 0.1018518 -0.0000000 0.2603703), wk = 0.0018248 k( 258) = ( 0.1111111 -0.0000000 0.2603703), wk = 0.0018248 k( 259) = ( 0.1203704 -0.0000000 0.2603703), wk = 0.0018248 k( 260) = ( 0.1296296 -0.0000000 0.2603703), wk = 0.0018248 k( 261) = ( 0.1388889 -0.0000000 0.2603703), wk = 0.0018248 k( 262) = ( 0.1481482 -0.0000000 0.2603703), wk = 0.0018248 k( 263) = ( 0.1574074 -0.0000000 0.2603703), wk = 0.0018248 k( 264) = ( 0.1666667 -0.0000000 0.2603703), wk = 0.0018248 k( 265) = ( 0.1759259 -0.0000000 0.2603703), wk = 0.0018248 k( 266) = ( 0.1851852 -0.0000000 0.2603703), wk = 0.0018248 k( 267) = ( 0.1944444 -0.0000000 0.2603703), wk = 0.0018248 k( 268) = ( 0.2037037 -0.0000000 0.2603703), wk = 0.0018248 k( 269) = ( 0.2129630 -0.0000000 0.2603703), wk = 0.0018248 k( 270) = ( 0.2222222 -0.0000000 0.2603703), wk = 0.0018248 k( 271) = ( 0.2314815 -0.0000000 0.2603703), wk = 0.0018248 k( 272) = ( 0.2407407 -0.0000000 0.2603703), wk = 0.0018248 k( 273) = ( 0.2500000 -0.0000000 0.2603703), wk = 0.0018248 k( 274) = ( 0.2592593 -0.0000000 0.2603703), wk = 0.0018248 k( 275) = ( 0.2685185 -0.0000000 0.2603703), wk = 0.0018248 k( 276) = ( 0.2777778 -0.0000000 0.2603703), wk = 0.0018248 k( 277) = ( 0.2870370 -0.0000000 0.2603703), wk = 0.0018248 k( 278) = ( 0.2962963 -0.0000000 0.2603703), wk = 0.0018248 k( 279) = ( 0.3055556 -0.0000000 0.2603703), wk = 0.0018248 k( 280) = ( 0.3148148 -0.0000000 0.2603703), wk = 0.0018248 k( 281) = ( 0.3240741 -0.0000000 0.2603703), wk = 0.0018248 k( 282) = ( 0.3333333 -0.0000000 0.2603703), wk = 0.0018248 k( 283) = ( 0.3425926 -0.0000000 0.2603703), wk = 0.0018248 k( 284) = ( 0.3518519 -0.0000000 0.2603703), wk = 0.0018248 k( 285) = ( 0.3611111 -0.0000000 0.2603703), wk = 0.0018248 k( 286) = ( 0.3703704 -0.0000000 0.2603703), wk = 0.0018248 k( 287) = ( 0.3796296 -0.0000000 0.2603703), wk = 0.0018248 k( 288) = ( 0.3888889 -0.0000000 0.2603703), wk = 0.0018248 k( 289) = ( 0.3981481 -0.0000000 0.2603703), wk = 0.0018248 k( 290) = ( 0.4074074 -0.0000000 0.2603703), wk = 0.0018248 k( 291) = ( 0.4166667 -0.0000000 0.2603703), wk = 0.0018248 k( 292) = ( 0.4259259 -0.0000000 0.2603703), wk = 0.0018248 k( 293) = ( 0.4351852 -0.0000000 0.2603703), wk = 0.0018248 k( 294) = ( 0.4444444 -0.0000000 0.2603703), wk = 0.0018248 k( 295) = ( 0.4537037 -0.0000000 0.2603703), wk = 0.0018248 k( 296) = ( 0.4629630 -0.0000000 0.2603703), wk = 0.0018248 k( 297) = ( 0.4722222 -0.0000000 0.2603703), wk = 0.0018248 k( 298) = ( 0.4814815 -0.0000000 0.2603703), wk = 0.0018248 k( 299) = ( 0.4907407 -0.0000000 0.2603703), wk = 0.0018248 k( 300) = ( 0.5000000 -0.0000000 0.2603703), wk = 0.0018248 k( 301) = ( 0.5000000 -0.0000000 0.2603703), wk = 0.0018248 k( 302) = ( 0.5000000 0.0091702 0.2603703), wk = 0.0018248 k( 303) = ( 0.5000000 0.0183404 0.2603703), wk = 0.0018248 k( 304) = ( 0.5000000 0.0275106 0.2603703), wk = 0.0018248 k( 305) = ( 0.5000000 0.0366808 0.2603703), wk = 0.0018248 k( 306) = ( 0.5000000 0.0458510 0.2603703), wk = 0.0018248 k( 307) = ( 0.5000000 0.0550212 0.2603703), wk = 0.0018248 k( 308) = ( 0.5000000 0.0641914 0.2603703), wk = 0.0018248 k( 309) = ( 0.5000000 0.0733616 0.2603703), wk = 0.0018248 k( 310) = ( 0.5000000 0.0825318 0.2603703), wk = 0.0018248 k( 311) = ( 0.5000000 0.0917020 0.2603703), wk = 0.0018248 k( 312) = ( 0.5000000 0.1008722 0.2603703), wk = 0.0018248 k( 313) = ( 0.5000000 0.1100424 0.2603703), wk = 0.0018248 k( 314) = ( 0.5000000 0.1192126 0.2603703), wk = 0.0018248 k( 315) = ( 0.5000000 0.1283828 0.2603703), wk = 0.0018248 k( 316) = ( 0.5000000 0.1375530 0.2603703), wk = 0.0018248 k( 317) = ( 0.5000000 0.1467232 0.2603703), wk = 0.0018248 k( 318) = ( 0.5000000 0.1558934 0.2603703), wk = 0.0018248 k( 319) = ( 0.5000000 0.1650636 0.2603703), wk = 0.0018248 k( 320) = ( 0.5000000 0.1742338 0.2603703), wk = 0.0018248 k( 321) = ( 0.5000000 0.1834040 0.2603703), wk = 0.0018248 k( 322) = ( 0.5000000 0.1925742 0.2603703), wk = 0.0018248 k( 323) = ( 0.5000000 0.2017444 0.2603703), wk = 0.0018248 k( 324) = ( 0.5000000 0.2109146 0.2603703), wk = 0.0018248 k( 325) = ( 0.5000000 0.2200848 0.2603703), wk = 0.0018248 k( 326) = ( 0.5000000 0.2292550 0.2603703), wk = 0.0018248 k( 327) = ( 0.5000000 0.2384252 0.2603703), wk = 0.0018248 k( 328) = ( 0.5000000 0.2475954 0.2603703), wk = 0.0018248 k( 329) = ( 0.5000000 0.2567656 0.2603703), wk = 0.0018248 k( 330) = ( 0.5000000 0.2659358 0.2603703), wk = 0.0018248 k( 331) = ( 0.5000000 0.2751060 0.2603703), wk = 0.0018248 k( 332) = ( 0.5000000 0.2842762 0.2603703), wk = 0.0018248 k( 333) = ( 0.5000000 0.2934464 0.2603703), wk = 0.0018248 k( 334) = ( 0.5000000 0.3026166 0.2603703), wk = 0.0018248 k( 335) = ( 0.5000000 0.3117868 0.2603703), wk = 0.0018248 k( 336) = ( 0.5000000 0.3209570 0.2603703), wk = 0.0018248 k( 337) = ( 0.5000000 0.3301272 0.2603703), wk = 0.0018248 k( 338) = ( 0.5000000 0.3392974 0.2603703), wk = 0.0018248 k( 339) = ( 0.5000000 0.3484676 0.2603703), wk = 0.0018248 k( 340) = ( 0.5000000 0.3576378 0.2603703), wk = 0.0018248 k( 341) = ( 0.5000000 0.3668080 0.2603703), wk = 0.0018248 k( 342) = ( 0.5000000 0.3759782 0.2603703), wk = 0.0018248 k( 343) = ( 0.5000000 0.3851483 0.2603703), wk = 0.0018248 k( 344) = ( 0.5000000 0.3943186 0.2603703), wk = 0.0018248 k( 345) = ( 0.5000000 0.4034887 0.2603703), wk = 0.0018248 k( 346) = ( 0.5000000 0.4126590 0.2603703), wk = 0.0018248 k( 347) = ( 0.5000000 0.4218291 0.2603703), wk = 0.0018248 k( 348) = ( 0.5000000 0.4309994 0.2603703), wk = 0.0018248 k( 349) = ( 0.5000000 0.4401695 0.2603703), wk = 0.0018248 k( 350) = ( 0.5000000 0.4493397 0.2603703), wk = 0.0018248 k( 351) = ( 0.5000000 0.4585099 0.2603703), wk = 0.0018248 k( 352) = ( 0.5000000 0.4676801 0.2603703), wk = 0.0018248 k( 353) = ( 0.5000000 0.4768503 0.2603703), wk = 0.0018248 k( 354) = ( 0.5000000 0.4768503 0.2603703), wk = 0.0018248 k( 355) = ( 0.4907407 0.4768503 0.2603703), wk = 0.0018248 k( 356) = ( 0.4814815 0.4768503 0.2603703), wk = 0.0018248 k( 357) = ( 0.4722222 0.4768503 0.2603703), wk = 0.0018248 k( 358) = ( 0.4629630 0.4768503 0.2603703), wk = 0.0018248 k( 359) = ( 0.4537037 0.4768503 0.2603703), wk = 0.0018248 k( 360) = ( 0.4444444 0.4768503 0.2603703), wk = 0.0018248 k( 361) = ( 0.4351852 0.4768503 0.2603703), wk = 0.0018248 k( 362) = ( 0.4259259 0.4768503 0.2603703), wk = 0.0018248 k( 363) = ( 0.4166667 0.4768503 0.2603703), wk = 0.0018248 k( 364) = ( 0.4074074 0.4768503 0.2603703), wk = 0.0018248 k( 365) = ( 0.3981481 0.4768503 0.2603703), wk = 0.0018248 k( 366) = ( 0.3888889 0.4768503 0.2603703), wk = 0.0018248 k( 367) = ( 0.3796296 0.4768503 0.2603703), wk = 0.0018248 k( 368) = ( 0.3703704 0.4768503 0.2603703), wk = 0.0018248 k( 369) = ( 0.3611111 0.4768503 0.2603703), wk = 0.0018248 k( 370) = ( 0.3518519 0.4768503 0.2603703), wk = 0.0018248 k( 371) = ( 0.3425926 0.4768503 0.2603703), wk = 0.0018248 k( 372) = ( 0.3333333 0.4768503 0.2603703), wk = 0.0018248 k( 373) = ( 0.3240741 0.4768503 0.2603703), wk = 0.0018248 k( 374) = ( 0.3148148 0.4768503 0.2603703), wk = 0.0018248 k( 375) = ( 0.3055556 0.4768503 0.2603703), wk = 0.0018248 k( 376) = ( 0.2962963 0.4768503 0.2603703), wk = 0.0018248 k( 377) = ( 0.2870370 0.4768503 0.2603703), wk = 0.0018248 k( 378) = ( 0.2777778 0.4768503 0.2603703), wk = 0.0018248 k( 379) = ( 0.2685185 0.4768503 0.2603703), wk = 0.0018248 k( 380) = ( 0.2592593 0.4768503 0.2603703), wk = 0.0018248 k( 381) = ( 0.2500000 0.4768503 0.2603703), wk = 0.0018248 k( 382) = ( 0.2407407 0.4768503 0.2603703), wk = 0.0018248 k( 383) = ( 0.2314815 0.4768503 0.2603703), wk = 0.0018248 k( 384) = ( 0.2222222 0.4768503 0.2603703), wk = 0.0018248 k( 385) = ( 0.2129630 0.4768503 0.2603703), wk = 0.0018248 k( 386) = ( 0.2037037 0.4768503 0.2603703), wk = 0.0018248 k( 387) = ( 0.1944444 0.4768503 0.2603703), wk = 0.0018248 k( 388) = ( 0.1851852 0.4768503 0.2603703), wk = 0.0018248 k( 389) = ( 0.1759259 0.4768503 0.2603703), wk = 0.0018248 k( 390) = ( 0.1666667 0.4768503 0.2603703), wk = 0.0018248 k( 391) = ( 0.1574074 0.4768503 0.2603703), wk = 0.0018248 k( 392) = ( 0.1481482 0.4768503 0.2603703), wk = 0.0018248 k( 393) = ( 0.1388889 0.4768503 0.2603703), wk = 0.0018248 k( 394) = ( 0.1296296 0.4768503 0.2603703), wk = 0.0018248 k( 395) = ( 0.1203704 0.4768503 0.2603703), wk = 0.0018248 k( 396) = ( 0.1111111 0.4768503 0.2603703), wk = 0.0018248 k( 397) = ( 0.1018518 0.4768503 0.2603703), wk = 0.0018248 k( 398) = ( 0.0925926 0.4768503 0.2603703), wk = 0.0018248 k( 399) = ( 0.0833333 0.4768503 0.2603703), wk = 0.0018248 k( 400) = ( 0.0740741 0.4768503 0.2603703), wk = 0.0018248 k( 401) = ( 0.0648148 0.4768503 0.2603703), wk = 0.0018248 k( 402) = ( 0.0555556 0.4768503 0.2603703), wk = 0.0018248 k( 403) = ( 0.0462963 0.4768503 0.2603703), wk = 0.0018248 k( 404) = ( 0.0370370 0.4768503 0.2603703), wk = 0.0018248 k( 405) = ( 0.0277778 0.4768503 0.2603703), wk = 0.0018248 k( 406) = ( 0.0185185 0.4768503 0.2603703), wk = 0.0018248 k( 407) = ( 0.0092593 0.4768503 0.2603703), wk = 0.0018248 k( 408) = ( 0.0000000 0.4768503 0.2603703), wk = 0.0018248 k( 409) = ( 0.0000000 0.4768503 0.2603703), wk = 0.0018248 k( 410) = ( 0.0000000 0.4676801 0.2603703), wk = 0.0018248 k( 411) = ( 0.0000000 0.4585099 0.2603703), wk = 0.0018248 k( 412) = ( 0.0000000 0.4493397 0.2603703), wk = 0.0018248 k( 413) = ( 0.0000000 0.4401695 0.2603703), wk = 0.0018248 k( 414) = ( 0.0000000 0.4309994 0.2603703), wk = 0.0018248 k( 415) = ( 0.0000000 0.4218291 0.2603703), wk = 0.0018248 k( 416) = ( 0.0000000 0.4126590 0.2603703), wk = 0.0018248 k( 417) = ( 0.0000000 0.4034887 0.2603703), wk = 0.0018248 k( 418) = ( 0.0000000 0.3943186 0.2603703), wk = 0.0018248 k( 419) = ( 0.0000000 0.3851483 0.2603703), wk = 0.0018248 k( 420) = ( 0.0000000 0.3759782 0.2603703), wk = 0.0018248 k( 421) = ( 0.0000000 0.3668080 0.2603703), wk = 0.0018248 k( 422) = ( 0.0000000 0.3576378 0.2603703), wk = 0.0018248 k( 423) = ( 0.0000000 0.3484676 0.2603703), wk = 0.0018248 k( 424) = ( 0.0000000 0.3392974 0.2603703), wk = 0.0018248 k( 425) = ( 0.0000000 0.3301272 0.2603703), wk = 0.0018248 k( 426) = ( 0.0000000 0.3209570 0.2603703), wk = 0.0018248 k( 427) = ( 0.0000000 0.3117868 0.2603703), wk = 0.0018248 k( 428) = ( 0.0000000 0.3026166 0.2603703), wk = 0.0018248 k( 429) = ( 0.0000000 0.2934464 0.2603703), wk = 0.0018248 k( 430) = ( 0.0000000 0.2842762 0.2603703), wk = 0.0018248 k( 431) = ( 0.0000000 0.2751060 0.2603703), wk = 0.0018248 k( 432) = ( 0.0000000 0.2659358 0.2603703), wk = 0.0018248 k( 433) = ( 0.0000000 0.2567656 0.2603703), wk = 0.0018248 k( 434) = ( 0.0000000 0.2475954 0.2603703), wk = 0.0018248 k( 435) = ( 0.0000000 0.2384252 0.2603703), wk = 0.0018248 k( 436) = ( 0.0000000 0.2292550 0.2603703), wk = 0.0018248 k( 437) = ( 0.0000000 0.2200848 0.2603703), wk = 0.0018248 k( 438) = ( 0.0000000 0.2109146 0.2603703), wk = 0.0018248 k( 439) = ( 0.0000000 0.2017444 0.2603703), wk = 0.0018248 k( 440) = ( 0.0000000 0.1925742 0.2603703), wk = 0.0018248 k( 441) = ( 0.0000000 0.1834040 0.2603703), wk = 0.0018248 k( 442) = ( 0.0000000 0.1742338 0.2603703), wk = 0.0018248 k( 443) = ( 0.0000000 0.1650636 0.2603703), wk = 0.0018248 k( 444) = ( 0.0000000 0.1558934 0.2603703), wk = 0.0018248 k( 445) = ( 0.0000000 0.1467232 0.2603703), wk = 0.0018248 k( 446) = ( 0.0000000 0.1375530 0.2603703), wk = 0.0018248 k( 447) = ( 0.0000000 0.1283828 0.2603703), wk = 0.0018248 k( 448) = ( 0.0000000 0.1192126 0.2603703), wk = 0.0018248 k( 449) = ( 0.0000000 0.1100424 0.2603703), wk = 0.0018248 k( 450) = ( 0.0000000 0.1008722 0.2603703), wk = 0.0018248 k( 451) = ( 0.0000000 0.0917020 0.2603703), wk = 0.0018248 k( 452) = ( 0.0000000 0.0825318 0.2603703), wk = 0.0018248 k( 453) = ( 0.0000000 0.0733616 0.2603703), wk = 0.0018248 k( 454) = ( 0.0000000 0.0641914 0.2603703), wk = 0.0018248 k( 455) = ( 0.0000000 0.0550212 0.2603703), wk = 0.0018248 k( 456) = ( 0.0000000 0.0458510 0.2603703), wk = 0.0018248 k( 457) = ( 0.0000000 0.0366808 0.2603703), wk = 0.0018248 k( 458) = ( 0.0000000 0.0275106 0.2603703), wk = 0.0018248 k( 459) = ( 0.0000000 0.0183404 0.2603703), wk = 0.0018248 k( 460) = ( 0.0000000 0.0091702 0.2603703), wk = 0.0018248 k( 461) = ( 0.0000000 0.0000000 0.2603703), wk = 0.0018248 k( 462) = ( 0.0000000 0.4768503 -0.0000000), wk = 0.0018248 k( 463) = ( 0.0000000 0.4768503 0.0092989), wk = 0.0018248 k( 464) = ( 0.0000000 0.4768503 0.0185979), wk = 0.0018248 k( 465) = ( 0.0000000 0.4768503 0.0278968), wk = 0.0018248 k( 466) = ( 0.0000000 0.4768503 0.0371958), wk = 0.0018248 k( 467) = ( 0.0000000 0.4768503 0.0464947), wk = 0.0018248 k( 468) = ( 0.0000000 0.4768503 0.0557936), wk = 0.0018248 k( 469) = ( 0.0000000 0.4768503 0.0650926), wk = 0.0018248 k( 470) = ( 0.0000000 0.4768503 0.0743915), wk = 0.0018248 k( 471) = ( 0.0000000 0.4768503 0.0836905), wk = 0.0018248 k( 472) = ( 0.0000000 0.4768503 0.0929894), wk = 0.0018248 k( 473) = ( 0.0000000 0.4768503 0.1022883), wk = 0.0018248 k( 474) = ( 0.0000000 0.4768503 0.1115873), wk = 0.0018248 k( 475) = ( 0.0000000 0.4768503 0.1208862), wk = 0.0018248 k( 476) = ( 0.0000000 0.4768503 0.1301852), wk = 0.0018248 k( 477) = ( 0.0000000 0.4768503 0.1394841), wk = 0.0018248 k( 478) = ( 0.0000000 0.4768503 0.1487830), wk = 0.0018248 k( 479) = ( 0.0000000 0.4768503 0.1580820), wk = 0.0018248 k( 480) = ( 0.0000000 0.4768503 0.1673809), wk = 0.0018248 k( 481) = ( 0.0000000 0.4768503 0.1766798), wk = 0.0018248 k( 482) = ( 0.0000000 0.4768503 0.1859788), wk = 0.0018248 k( 483) = ( 0.0000000 0.4768503 0.1952777), wk = 0.0018248 k( 484) = ( 0.0000000 0.4768503 0.2045767), wk = 0.0018248 k( 485) = ( 0.0000000 0.4768503 0.2138756), wk = 0.0018248 k( 486) = ( 0.0000000 0.4768503 0.2231745), wk = 0.0018248 k( 487) = ( 0.0000000 0.4768503 0.2324735), wk = 0.0018248 k( 488) = ( 0.0000000 0.4768503 0.2417724), wk = 0.0018248 k( 489) = ( 0.0000000 0.4768503 0.2510714), wk = 0.0018248 k( 490) = ( 0.0000000 0.4768503 0.2603703), wk = 0.0018248 k( 491) = ( 0.5000000 -0.0000000 0.2603703), wk = 0.0018248 k( 492) = ( 0.5000000 -0.0000000 0.2510714), wk = 0.0018248 k( 493) = ( 0.5000000 -0.0000000 0.2417724), wk = 0.0018248 k( 494) = ( 0.5000000 -0.0000000 0.2324735), wk = 0.0018248 k( 495) = ( 0.5000000 -0.0000000 0.2231745), wk = 0.0018248 k( 496) = ( 0.5000000 -0.0000000 0.2138756), wk = 0.0018248 k( 497) = ( 0.5000000 -0.0000000 0.2045767), wk = 0.0018248 k( 498) = ( 0.5000000 -0.0000000 0.1952777), wk = 0.0018248 k( 499) = ( 0.5000000 -0.0000000 0.1859788), wk = 0.0018248 k( 500) = ( 0.5000000 -0.0000000 0.1766798), wk = 0.0018248 k( 501) = ( 0.5000000 -0.0000000 0.1673809), wk = 0.0018248 k( 502) = ( 0.5000000 -0.0000000 0.1580820), wk = 0.0018248 k( 503) = ( 0.5000000 -0.0000000 0.1487830), wk = 0.0018248 k( 504) = ( 0.5000000 -0.0000000 0.1394841), wk = 0.0018248 k( 505) = ( 0.5000000 -0.0000000 0.1301852), wk = 0.0018248 k( 506) = ( 0.5000000 -0.0000000 0.1208862), wk = 0.0018248 k( 507) = ( 0.5000000 -0.0000000 0.1115873), wk = 0.0018248 k( 508) = ( 0.5000000 -0.0000000 0.1022883), wk = 0.0018248 k( 509) = ( 0.5000000 -0.0000000 0.0929894), wk = 0.0018248 k( 510) = ( 0.5000000 -0.0000000 0.0836905), wk = 0.0018248 k( 511) = ( 0.5000000 -0.0000000 0.0743915), wk = 0.0018248 k( 512) = ( 0.5000000 -0.0000000 0.0650926), wk = 0.0018248 k( 513) = ( 0.5000000 -0.0000000 0.0557936), wk = 0.0018248 k( 514) = ( 0.5000000 -0.0000000 0.0464947), wk = 0.0018248 k( 515) = ( 0.5000000 -0.0000000 0.0371958), wk = 0.0018248 k( 516) = ( 0.5000000 -0.0000000 0.0278968), wk = 0.0018248 k( 517) = ( 0.5000000 -0.0000000 0.0185979), wk = 0.0018248 k( 518) = ( 0.5000000 -0.0000000 0.0092989), wk = 0.0018248 k( 519) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 520) = ( 0.5000000 0.4768503 -0.0000000), wk = 0.0018248 k( 521) = ( 0.5000000 0.4768503 0.0092989), wk = 0.0018248 k( 522) = ( 0.5000000 0.4768503 0.0185979), wk = 0.0018248 k( 523) = ( 0.5000000 0.4768503 0.0278968), wk = 0.0018248 k( 524) = ( 0.5000000 0.4768503 0.0371958), wk = 0.0018248 k( 525) = ( 0.5000000 0.4768503 0.0464947), wk = 0.0018248 k( 526) = ( 0.5000000 0.4768503 0.0557936), wk = 0.0018248 k( 527) = ( 0.5000000 0.4768503 0.0650926), wk = 0.0018248 k( 528) = ( 0.5000000 0.4768503 0.0743915), wk = 0.0018248 k( 529) = ( 0.5000000 0.4768503 0.0836905), wk = 0.0018248 k( 530) = ( 0.5000000 0.4768503 0.0929894), wk = 0.0018248 k( 531) = ( 0.5000000 0.4768503 0.1022883), wk = 0.0018248 k( 532) = ( 0.5000000 0.4768503 0.1115873), wk = 0.0018248 k( 533) = ( 0.5000000 0.4768503 0.1208862), wk = 0.0018248 k( 534) = ( 0.5000000 0.4768503 0.1301852), wk = 0.0018248 k( 535) = ( 0.5000000 0.4768503 0.1394841), wk = 0.0018248 k( 536) = ( 0.5000000 0.4768503 0.1487830), wk = 0.0018248 k( 537) = ( 0.5000000 0.4768503 0.1580820), wk = 0.0018248 k( 538) = ( 0.5000000 0.4768503 0.1673809), wk = 0.0018248 k( 539) = ( 0.5000000 0.4768503 0.1766798), wk = 0.0018248 k( 540) = ( 0.5000000 0.4768503 0.1859788), wk = 0.0018248 k( 541) = ( 0.5000000 0.4768503 0.1952777), wk = 0.0018248 k( 542) = ( 0.5000000 0.4768503 0.2045767), wk = 0.0018248 k( 543) = ( 0.5000000 0.4768503 0.2138756), wk = 0.0018248 k( 544) = ( 0.5000000 0.4768503 0.2231745), wk = 0.0018248 k( 545) = ( 0.5000000 0.4768503 0.2324735), wk = 0.0018248 k( 546) = ( 0.5000000 0.4768503 0.2417724), wk = 0.0018248 k( 547) = ( 0.5000000 0.4768503 0.2510714), wk = 0.0018248 k( 548) = ( 0.5000000 0.4768503 0.2603703), wk = 0.0018248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 2) = ( 0.0092593 0.0000000 0.0000000), wk = 0.0018248 k( 3) = ( 0.0185185 0.0000000 0.0000000), wk = 0.0018248 k( 4) = ( 0.0277778 0.0000000 0.0000000), wk = 0.0018248 k( 5) = ( 0.0370370 0.0000000 0.0000000), wk = 0.0018248 k( 6) = ( 0.0462963 0.0000000 -0.0000000), wk = 0.0018248 k( 7) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0018248 k( 8) = ( 0.0648148 0.0000000 0.0000000), wk = 0.0018248 k( 9) = ( 0.0740741 0.0000000 0.0000000), wk = 0.0018248 k( 10) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0018248 k( 11) = ( 0.0925926 0.0000000 -0.0000000), wk = 0.0018248 k( 12) = ( 0.1018518 0.0000000 0.0000000), wk = 0.0018248 k( 13) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0018248 k( 14) = ( 0.1203704 0.0000000 -0.0000000), wk = 0.0018248 k( 15) = ( 0.1296296 0.0000000 -0.0000000), wk = 0.0018248 k( 16) = ( 0.1388889 0.0000000 0.0000000), wk = 0.0018248 k( 17) = ( 0.1481482 -0.0000000 0.0000000), wk = 0.0018248 k( 18) = ( 0.1574074 -0.0000000 0.0000000), wk = 0.0018248 k( 19) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0018248 k( 20) = ( 0.1759259 -0.0000000 -0.0000000), wk = 0.0018248 k( 21) = ( 0.1851852 -0.0000000 -0.0000000), wk = 0.0018248 k( 22) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0018248 k( 23) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0018248 k( 24) = ( 0.2129630 0.0000000 -0.0000000), wk = 0.0018248 k( 25) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0018248 k( 26) = ( 0.2314815 0.0000000 -0.0000000), wk = 0.0018248 k( 27) = ( 0.2407407 0.0000000 -0.0000000), wk = 0.0018248 k( 28) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0018248 k( 29) = ( 0.2592593 0.0000000 -0.0000000), wk = 0.0018248 k( 30) = ( 0.2685185 0.0000000 0.0000000), wk = 0.0018248 k( 31) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0018248 k( 32) = ( 0.2870370 -0.0000000 -0.0000000), wk = 0.0018248 k( 33) = ( 0.2962963 -0.0000000 0.0000000), wk = 0.0018248 k( 34) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0018248 k( 35) = ( 0.3148148 0.0000000 0.0000000), wk = 0.0018248 k( 36) = ( 0.3240741 0.0000000 -0.0000000), wk = 0.0018248 k( 37) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0018248 k( 38) = ( 0.3425926 0.0000000 0.0000000), wk = 0.0018248 k( 39) = ( 0.3518519 0.0000000 -0.0000000), wk = 0.0018248 k( 40) = ( 0.3611111 0.0000000 0.0000000), wk = 0.0018248 k( 41) = ( 0.3703704 0.0000000 0.0000000), wk = 0.0018248 k( 42) = ( 0.3796296 0.0000000 -0.0000000), wk = 0.0018248 k( 43) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0018248 k( 44) = ( 0.3981481 0.0000000 -0.0000000), wk = 0.0018248 k( 45) = ( 0.4074074 0.0000000 -0.0000000), wk = 0.0018248 k( 46) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0018248 k( 47) = ( 0.4259259 0.0000000 -0.0000000), wk = 0.0018248 k( 48) = ( 0.4351852 0.0000000 -0.0000000), wk = 0.0018248 k( 49) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0018248 k( 50) = ( 0.4537037 0.0000000 -0.0000000), wk = 0.0018248 k( 51) = ( 0.4629630 0.0000000 -0.0000000), wk = 0.0018248 k( 52) = ( 0.4722222 0.0000000 -0.0000000), wk = 0.0018248 k( 53) = ( 0.4814815 0.0000000 -0.0000000), wk = 0.0018248 k( 54) = ( 0.4907407 0.0000000 -0.0000000), wk = 0.0018248 k( 55) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0018248 k( 56) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0018248 k( 57) = ( 0.5000000 0.0096154 -0.0000000), wk = 0.0018248 k( 58) = ( 0.5000000 0.0192308 -0.0000000), wk = 0.0018248 k( 59) = ( 0.5000000 0.0288462 -0.0000000), wk = 0.0018248 k( 60) = ( 0.5000000 0.0384615 -0.0000000), wk = 0.0018248 k( 61) = ( 0.5000000 0.0480769 -0.0000000), wk = 0.0018248 k( 62) = ( 0.5000000 0.0576923 -0.0000000), wk = 0.0018248 k( 63) = ( 0.5000000 0.0673077 0.0000000), wk = 0.0018248 k( 64) = ( 0.5000000 0.0769231 0.0000000), wk = 0.0018248 k( 65) = ( 0.5000000 0.0865385 -0.0000000), wk = 0.0018248 k( 66) = ( 0.5000000 0.0961539 -0.0000000), wk = 0.0018248 k( 67) = ( 0.5000000 0.1057692 0.0000000), wk = 0.0018248 k( 68) = ( 0.5000000 0.1153846 0.0000000), wk = 0.0018248 k( 69) = ( 0.5000000 0.1250000 -0.0000000), wk = 0.0018248 k( 70) = ( 0.5000000 0.1346154 -0.0000000), wk = 0.0018248 k( 71) = ( 0.5000000 0.1442308 -0.0000000), wk = 0.0018248 k( 72) = ( 0.5000000 0.1538462 0.0000000), wk = 0.0018248 k( 73) = ( 0.5000000 0.1634615 0.0000000), wk = 0.0018248 k( 74) = ( 0.5000000 0.1730769 0.0000000), wk = 0.0018248 k( 75) = ( 0.5000000 0.1826923 0.0000000), wk = 0.0018248 k( 76) = ( 0.5000000 0.1923077 0.0000000), wk = 0.0018248 k( 77) = ( 0.5000000 0.2019231 0.0000000), wk = 0.0018248 k( 78) = ( 0.5000000 0.2115385 -0.0000000), wk = 0.0018248 k( 79) = ( 0.5000000 0.2211539 0.0000000), wk = 0.0018248 k( 80) = ( 0.5000000 0.2307692 0.0000000), wk = 0.0018248 k( 81) = ( 0.5000000 0.2403846 0.0000000), wk = 0.0018248 k( 82) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0018248 k( 83) = ( 0.5000000 0.2596154 0.0000000), wk = 0.0018248 k( 84) = ( 0.5000000 0.2692308 0.0000000), wk = 0.0018248 k( 85) = ( 0.5000000 0.2788462 0.0000000), wk = 0.0018248 k( 86) = ( 0.5000000 0.2884615 0.0000000), wk = 0.0018248 k( 87) = ( 0.5000000 0.2980769 0.0000000), wk = 0.0018248 k( 88) = ( 0.5000000 0.3076923 0.0000000), wk = 0.0018248 k( 89) = ( 0.5000000 0.3173077 0.0000000), wk = 0.0018248 k( 90) = ( 0.5000000 0.3269231 0.0000000), wk = 0.0018248 k( 91) = ( 0.5000000 0.3365385 0.0000000), wk = 0.0018248 k( 92) = ( 0.5000000 0.3461539 -0.0000000), wk = 0.0018248 k( 93) = ( 0.5000000 0.3557692 0.0000000), wk = 0.0018248 k( 94) = ( 0.5000000 0.3653846 -0.0000000), wk = 0.0018248 k( 95) = ( 0.5000000 0.3750000 -0.0000000), wk = 0.0018248 k( 96) = ( 0.5000000 0.3846154 0.0000000), wk = 0.0018248 k( 97) = ( 0.5000000 0.3942308 0.0000000), wk = 0.0018248 k( 98) = ( 0.5000000 0.4038462 0.0000000), wk = 0.0018248 k( 99) = ( 0.5000000 0.4134615 0.0000000), wk = 0.0018248 k( 100) = ( 0.5000000 0.4230769 0.0000000), wk = 0.0018248 k( 101) = ( 0.5000000 0.4326923 -0.0000000), wk = 0.0018248 k( 102) = ( 0.5000000 0.4423077 0.0000000), wk = 0.0018248 k( 103) = ( 0.5000000 0.4519231 0.0000000), wk = 0.0018248 k( 104) = ( 0.5000000 0.4615385 0.0000000), wk = 0.0018248 k( 105) = ( 0.5000000 0.4711539 -0.0000000), wk = 0.0018248 k( 106) = ( 0.5000000 0.4807692 -0.0000000), wk = 0.0018248 k( 107) = ( 0.5000000 0.4903846 0.0000000), wk = 0.0018248 k( 108) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 109) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 110) = ( 0.4907407 0.5000000 -0.0000000), wk = 0.0018248 k( 111) = ( 0.4814815 0.5000000 0.0000000), wk = 0.0018248 k( 112) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0018248 k( 113) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0018248 k( 114) = ( 0.4537037 0.5000000 0.0000000), wk = 0.0018248 k( 115) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0018248 k( 116) = ( 0.4351852 0.5000000 0.0000000), wk = 0.0018248 k( 117) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0018248 k( 118) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0018248 k( 119) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0018248 k( 120) = ( 0.3981481 0.5000000 -0.0000000), wk = 0.0018248 k( 121) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0018248 k( 122) = ( 0.3796296 0.5000000 0.0000000), wk = 0.0018248 k( 123) = ( 0.3703704 0.5000000 0.0000000), wk = 0.0018248 k( 124) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0018248 k( 125) = ( 0.3518519 0.5000000 0.0000000), wk = 0.0018248 k( 126) = ( 0.3425926 0.5000000 -0.0000000), wk = 0.0018248 k( 127) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0018248 k( 128) = ( 0.3240741 0.5000000 0.0000000), wk = 0.0018248 k( 129) = ( 0.3148148 0.5000000 0.0000000), wk = 0.0018248 k( 130) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0018248 k( 131) = ( 0.2962963 0.5000000 0.0000000), wk = 0.0018248 k( 132) = ( 0.2870370 0.5000000 0.0000000), wk = 0.0018248 k( 133) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0018248 k( 134) = ( 0.2685185 0.5000000 0.0000000), wk = 0.0018248 k( 135) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0018248 k( 136) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0018248 k( 137) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0018248 k( 138) = ( 0.2314815 0.5000000 0.0000000), wk = 0.0018248 k( 139) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0018248 k( 140) = ( 0.2129630 0.5000000 0.0000000), wk = 0.0018248 k( 141) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0018248 k( 142) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0018248 k( 143) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0018248 k( 144) = ( 0.1759259 0.5000000 0.0000000), wk = 0.0018248 k( 145) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0018248 k( 146) = ( 0.1574074 0.5000000 0.0000000), wk = 0.0018248 k( 147) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0018248 k( 148) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0018248 k( 149) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0018248 k( 150) = ( 0.1203704 0.5000000 0.0000000), wk = 0.0018248 k( 151) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0018248 k( 152) = ( 0.1018518 0.5000000 0.0000000), wk = 0.0018248 k( 153) = ( 0.0925926 0.5000000 0.0000000), wk = 0.0018248 k( 154) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0018248 k( 155) = ( 0.0740741 0.5000000 0.0000000), wk = 0.0018248 k( 156) = ( 0.0648148 0.5000000 0.0000000), wk = 0.0018248 k( 157) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0018248 k( 158) = ( 0.0462963 0.5000000 0.0000000), wk = 0.0018248 k( 159) = ( 0.0370370 0.5000000 0.0000000), wk = 0.0018248 k( 160) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0018248 k( 161) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0018248 k( 162) = ( 0.0092593 0.5000000 0.0000000), wk = 0.0018248 k( 163) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018248 k( 164) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018248 k( 165) = ( 0.0000000 0.4903846 0.0000000), wk = 0.0018248 k( 166) = ( 0.0000000 0.4807692 0.0000000), wk = 0.0018248 k( 167) = ( 0.0000000 0.4711539 -0.0000000), wk = 0.0018248 k( 168) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0018248 k( 169) = ( 0.0000000 0.4519231 0.0000000), wk = 0.0018248 k( 170) = ( 0.0000000 0.4423077 0.0000000), wk = 0.0018248 k( 171) = ( 0.0000000 0.4326923 0.0000000), wk = 0.0018248 k( 172) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0018248 k( 173) = ( 0.0000000 0.4134615 0.0000000), wk = 0.0018248 k( 174) = ( 0.0000000 0.4038462 0.0000000), wk = 0.0018248 k( 175) = ( 0.0000000 0.3942308 0.0000000), wk = 0.0018248 k( 176) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0018248 k( 177) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0018248 k( 178) = ( 0.0000000 0.3653846 -0.0000000), wk = 0.0018248 k( 179) = ( 0.0000000 0.3557692 0.0000000), wk = 0.0018248 k( 180) = ( 0.0000000 0.3461539 0.0000000), wk = 0.0018248 k( 181) = ( 0.0000000 0.3365385 0.0000000), wk = 0.0018248 k( 182) = ( 0.0000000 0.3269231 0.0000000), wk = 0.0018248 k( 183) = ( 0.0000000 0.3173077 0.0000000), wk = 0.0018248 k( 184) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0018248 k( 185) = ( 0.0000000 0.2980769 0.0000000), wk = 0.0018248 k( 186) = ( 0.0000000 0.2884615 0.0000000), wk = 0.0018248 k( 187) = ( 0.0000000 0.2788462 0.0000000), wk = 0.0018248 k( 188) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0018248 k( 189) = ( 0.0000000 0.2596154 0.0000000), wk = 0.0018248 k( 190) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0018248 k( 191) = ( 0.0000000 0.2403846 -0.0000000), wk = 0.0018248 k( 192) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0018248 k( 193) = ( 0.0000000 0.2211539 0.0000000), wk = 0.0018248 k( 194) = ( 0.0000000 0.2115385 0.0000000), wk = 0.0018248 k( 195) = ( 0.0000000 0.2019231 0.0000000), wk = 0.0018248 k( 196) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0018248 k( 197) = ( 0.0000000 0.1826923 -0.0000000), wk = 0.0018248 k( 198) = ( 0.0000000 0.1730769 0.0000000), wk = 0.0018248 k( 199) = ( 0.0000000 0.1634615 0.0000000), wk = 0.0018248 k( 200) = ( 0.0000000 0.1538462 0.0000000), wk = 0.0018248 k( 201) = ( 0.0000000 0.1442308 0.0000000), wk = 0.0018248 k( 202) = ( 0.0000000 0.1346154 0.0000000), wk = 0.0018248 k( 203) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0018248 k( 204) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0018248 k( 205) = ( 0.0000000 0.1057692 0.0000000), wk = 0.0018248 k( 206) = ( 0.0000000 0.0961539 0.0000000), wk = 0.0018248 k( 207) = ( 0.0000000 0.0865385 0.0000000), wk = 0.0018248 k( 208) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0018248 k( 209) = ( 0.0000000 0.0673077 0.0000000), wk = 0.0018248 k( 210) = ( 0.0000000 0.0576923 0.0000000), wk = 0.0018248 k( 211) = ( 0.0000000 0.0480769 -0.0000000), wk = 0.0018248 k( 212) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0018248 k( 213) = ( 0.0000000 0.0288462 0.0000000), wk = 0.0018248 k( 214) = ( 0.0000000 0.0192308 0.0000000), wk = 0.0018248 k( 215) = ( 0.0000000 0.0096154 0.0000000), wk = 0.0018248 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 218) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0018248 k( 219) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0018248 k( 220) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0018248 k( 221) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0018248 k( 222) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0018248 k( 223) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0018248 k( 224) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0018248 k( 225) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0018248 k( 226) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0018248 k( 227) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0018248 k( 228) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0018248 k( 229) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0018248 k( 230) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0018248 k( 231) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0018248 k( 232) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0018248 k( 233) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0018248 k( 234) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0018248 k( 235) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0018248 k( 236) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0018248 k( 237) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0018248 k( 238) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0018248 k( 239) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0018248 k( 240) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0018248 k( 241) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0018248 k( 242) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0018248 k( 243) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0018248 k( 244) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0018248 k( 245) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 246) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 247) = ( 0.0092593 0.0000000 0.5000000), wk = 0.0018248 k( 248) = ( 0.0185185 0.0000000 0.5000000), wk = 0.0018248 k( 249) = ( 0.0277778 0.0000000 0.5000000), wk = 0.0018248 k( 250) = ( 0.0370370 0.0000000 0.5000000), wk = 0.0018248 k( 251) = ( 0.0462963 0.0000000 0.5000000), wk = 0.0018248 k( 252) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0018248 k( 253) = ( 0.0648148 0.0000000 0.5000000), wk = 0.0018248 k( 254) = ( 0.0740741 0.0000000 0.5000000), wk = 0.0018248 k( 255) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0018248 k( 256) = ( 0.0925926 0.0000000 0.5000000), wk = 0.0018248 k( 257) = ( 0.1018518 0.0000000 0.5000000), wk = 0.0018248 k( 258) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0018248 k( 259) = ( 0.1203704 0.0000000 0.5000000), wk = 0.0018248 k( 260) = ( 0.1296296 0.0000000 0.5000000), wk = 0.0018248 k( 261) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0018248 k( 262) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0018248 k( 263) = ( 0.1574074 -0.0000000 0.5000000), wk = 0.0018248 k( 264) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0018248 k( 265) = ( 0.1759259 -0.0000000 0.5000000), wk = 0.0018248 k( 266) = ( 0.1851852 -0.0000000 0.5000000), wk = 0.0018248 k( 267) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0018248 k( 268) = ( 0.2037037 0.0000000 0.5000000), wk = 0.0018248 k( 269) = ( 0.2129630 0.0000000 0.5000000), wk = 0.0018248 k( 270) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0018248 k( 271) = ( 0.2314815 0.0000000 0.5000000), wk = 0.0018248 k( 272) = ( 0.2407407 0.0000000 0.5000000), wk = 0.0018248 k( 273) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0018248 k( 274) = ( 0.2592593 0.0000000 0.5000000), wk = 0.0018248 k( 275) = ( 0.2685185 0.0000000 0.5000000), wk = 0.0018248 k( 276) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0018248 k( 277) = ( 0.2870370 -0.0000000 0.5000000), wk = 0.0018248 k( 278) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0018248 k( 279) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0018248 k( 280) = ( 0.3148148 0.0000000 0.5000000), wk = 0.0018248 k( 281) = ( 0.3240741 0.0000000 0.5000000), wk = 0.0018248 k( 282) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0018248 k( 283) = ( 0.3425926 0.0000000 0.5000000), wk = 0.0018248 k( 284) = ( 0.3518519 0.0000000 0.5000000), wk = 0.0018248 k( 285) = ( 0.3611111 0.0000000 0.5000000), wk = 0.0018248 k( 286) = ( 0.3703704 0.0000000 0.5000000), wk = 0.0018248 k( 287) = ( 0.3796296 0.0000000 0.5000000), wk = 0.0018248 k( 288) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0018248 k( 289) = ( 0.3981481 0.0000000 0.5000000), wk = 0.0018248 k( 290) = ( 0.4074074 0.0000000 0.5000000), wk = 0.0018248 k( 291) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0018248 k( 292) = ( 0.4259259 0.0000000 0.5000000), wk = 0.0018248 k( 293) = ( 0.4351852 0.0000000 0.5000000), wk = 0.0018248 k( 294) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0018248 k( 295) = ( 0.4537037 0.0000000 0.5000000), wk = 0.0018248 k( 296) = ( 0.4629630 0.0000000 0.5000000), wk = 0.0018248 k( 297) = ( 0.4722222 0.0000000 0.5000000), wk = 0.0018248 k( 298) = ( 0.4814815 0.0000000 0.5000000), wk = 0.0018248 k( 299) = ( 0.4907407 0.0000000 0.5000000), wk = 0.0018248 k( 300) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 301) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 302) = ( 0.5000000 0.0096154 0.5000000), wk = 0.0018248 k( 303) = ( 0.5000000 0.0192308 0.5000000), wk = 0.0018248 k( 304) = ( 0.5000000 0.0288462 0.5000000), wk = 0.0018248 k( 305) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0018248 k( 306) = ( 0.5000000 0.0480769 0.5000000), wk = 0.0018248 k( 307) = ( 0.5000000 0.0576923 0.5000000), wk = 0.0018248 k( 308) = ( 0.5000000 0.0673077 0.5000000), wk = 0.0018248 k( 309) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0018248 k( 310) = ( 0.5000000 0.0865385 0.5000000), wk = 0.0018248 k( 311) = ( 0.5000000 0.0961539 0.5000000), wk = 0.0018248 k( 312) = ( 0.5000000 0.1057692 0.5000000), wk = 0.0018248 k( 313) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0018248 k( 314) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0018248 k( 315) = ( 0.5000000 0.1346154 0.5000000), wk = 0.0018248 k( 316) = ( 0.5000000 0.1442308 0.5000000), wk = 0.0018248 k( 317) = ( 0.5000000 0.1538462 0.5000000), wk = 0.0018248 k( 318) = ( 0.5000000 0.1634615 0.5000000), wk = 0.0018248 k( 319) = ( 0.5000000 0.1730769 0.5000000), wk = 0.0018248 k( 320) = ( 0.5000000 0.1826923 0.5000000), wk = 0.0018248 k( 321) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0018248 k( 322) = ( 0.5000000 0.2019231 0.5000000), wk = 0.0018248 k( 323) = ( 0.5000000 0.2115385 0.5000000), wk = 0.0018248 k( 324) = ( 0.5000000 0.2211539 0.5000000), wk = 0.0018248 k( 325) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0018248 k( 326) = ( 0.5000000 0.2403846 0.5000000), wk = 0.0018248 k( 327) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0018248 k( 328) = ( 0.5000000 0.2596154 0.5000000), wk = 0.0018248 k( 329) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0018248 k( 330) = ( 0.5000000 0.2788462 0.5000000), wk = 0.0018248 k( 331) = ( 0.5000000 0.2884615 0.5000000), wk = 0.0018248 k( 332) = ( 0.5000000 0.2980769 0.5000000), wk = 0.0018248 k( 333) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0018248 k( 334) = ( 0.5000000 0.3173077 0.5000000), wk = 0.0018248 k( 335) = ( 0.5000000 0.3269231 0.5000000), wk = 0.0018248 k( 336) = ( 0.5000000 0.3365385 0.5000000), wk = 0.0018248 k( 337) = ( 0.5000000 0.3461539 0.5000000), wk = 0.0018248 k( 338) = ( 0.5000000 0.3557692 0.5000000), wk = 0.0018248 k( 339) = ( 0.5000000 0.3653846 0.5000000), wk = 0.0018248 k( 340) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0018248 k( 341) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0018248 k( 342) = ( 0.5000000 0.3942308 0.5000000), wk = 0.0018248 k( 343) = ( 0.5000000 0.4038462 0.5000000), wk = 0.0018248 k( 344) = ( 0.5000000 0.4134615 0.5000000), wk = 0.0018248 k( 345) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0018248 k( 346) = ( 0.5000000 0.4326923 0.5000000), wk = 0.0018248 k( 347) = ( 0.5000000 0.4423077 0.5000000), wk = 0.0018248 k( 348) = ( 0.5000000 0.4519231 0.5000000), wk = 0.0018248 k( 349) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0018248 k( 350) = ( 0.5000000 0.4711539 0.5000000), wk = 0.0018248 k( 351) = ( 0.5000000 0.4807692 0.5000000), wk = 0.0018248 k( 352) = ( 0.5000000 0.4903846 0.5000000), wk = 0.0018248 k( 353) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 354) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 355) = ( 0.4907407 0.5000000 0.5000000), wk = 0.0018248 k( 356) = ( 0.4814815 0.5000000 0.5000000), wk = 0.0018248 k( 357) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0018248 k( 358) = ( 0.4629630 0.5000000 0.5000000), wk = 0.0018248 k( 359) = ( 0.4537037 0.5000000 0.5000000), wk = 0.0018248 k( 360) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0018248 k( 361) = ( 0.4351852 0.5000000 0.5000000), wk = 0.0018248 k( 362) = ( 0.4259259 0.5000000 0.5000000), wk = 0.0018248 k( 363) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0018248 k( 364) = ( 0.4074074 0.5000000 0.5000000), wk = 0.0018248 k( 365) = ( 0.3981481 0.5000000 0.5000000), wk = 0.0018248 k( 366) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0018248 k( 367) = ( 0.3796296 0.5000000 0.5000000), wk = 0.0018248 k( 368) = ( 0.3703704 0.5000000 0.5000000), wk = 0.0018248 k( 369) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0018248 k( 370) = ( 0.3518519 0.5000000 0.5000000), wk = 0.0018248 k( 371) = ( 0.3425926 0.5000000 0.5000000), wk = 0.0018248 k( 372) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0018248 k( 373) = ( 0.3240741 0.5000000 0.5000000), wk = 0.0018248 k( 374) = ( 0.3148148 0.5000000 0.5000000), wk = 0.0018248 k( 375) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0018248 k( 376) = ( 0.2962963 0.5000000 0.5000000), wk = 0.0018248 k( 377) = ( 0.2870370 0.5000000 0.5000000), wk = 0.0018248 k( 378) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0018248 k( 379) = ( 0.2685185 0.5000000 0.5000000), wk = 0.0018248 k( 380) = ( 0.2592593 0.5000000 0.5000000), wk = 0.0018248 k( 381) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0018248 k( 382) = ( 0.2407407 0.5000000 0.5000000), wk = 0.0018248 k( 383) = ( 0.2314815 0.5000000 0.5000000), wk = 0.0018248 k( 384) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0018248 k( 385) = ( 0.2129630 0.5000000 0.5000000), wk = 0.0018248 k( 386) = ( 0.2037037 0.5000000 0.5000000), wk = 0.0018248 k( 387) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0018248 k( 388) = ( 0.1851852 0.5000000 0.5000000), wk = 0.0018248 k( 389) = ( 0.1759259 0.5000000 0.5000000), wk = 0.0018248 k( 390) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0018248 k( 391) = ( 0.1574074 0.5000000 0.5000000), wk = 0.0018248 k( 392) = ( 0.1481482 0.5000000 0.5000000), wk = 0.0018248 k( 393) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0018248 k( 394) = ( 0.1296296 0.5000000 0.5000000), wk = 0.0018248 k( 395) = ( 0.1203704 0.5000000 0.5000000), wk = 0.0018248 k( 396) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0018248 k( 397) = ( 0.1018518 0.5000000 0.5000000), wk = 0.0018248 k( 398) = ( 0.0925926 0.5000000 0.5000000), wk = 0.0018248 k( 399) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0018248 k( 400) = ( 0.0740741 0.5000000 0.5000000), wk = 0.0018248 k( 401) = ( 0.0648148 0.5000000 0.5000000), wk = 0.0018248 k( 402) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0018248 k( 403) = ( 0.0462963 0.5000000 0.5000000), wk = 0.0018248 k( 404) = ( 0.0370370 0.5000000 0.5000000), wk = 0.0018248 k( 405) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0018248 k( 406) = ( 0.0185185 0.5000000 0.5000000), wk = 0.0018248 k( 407) = ( 0.0092593 0.5000000 0.5000000), wk = 0.0018248 k( 408) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 409) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 410) = ( 0.0000000 0.4903846 0.5000000), wk = 0.0018248 k( 411) = ( 0.0000000 0.4807692 0.5000000), wk = 0.0018248 k( 412) = ( 0.0000000 0.4711539 0.5000000), wk = 0.0018248 k( 413) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0018248 k( 414) = ( 0.0000000 0.4519231 0.5000000), wk = 0.0018248 k( 415) = ( 0.0000000 0.4423077 0.5000000), wk = 0.0018248 k( 416) = ( 0.0000000 0.4326923 0.5000000), wk = 0.0018248 k( 417) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0018248 k( 418) = ( 0.0000000 0.4134615 0.5000000), wk = 0.0018248 k( 419) = ( 0.0000000 0.4038462 0.5000000), wk = 0.0018248 k( 420) = ( 0.0000000 0.3942308 0.5000000), wk = 0.0018248 k( 421) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0018248 k( 422) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0018248 k( 423) = ( 0.0000000 0.3653846 0.5000000), wk = 0.0018248 k( 424) = ( 0.0000000 0.3557692 0.5000000), wk = 0.0018248 k( 425) = ( 0.0000000 0.3461539 0.5000000), wk = 0.0018248 k( 426) = ( 0.0000000 0.3365385 0.5000000), wk = 0.0018248 k( 427) = ( 0.0000000 0.3269231 0.5000000), wk = 0.0018248 k( 428) = ( 0.0000000 0.3173077 0.5000000), wk = 0.0018248 k( 429) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0018248 k( 430) = ( 0.0000000 0.2980769 0.5000000), wk = 0.0018248 k( 431) = ( 0.0000000 0.2884615 0.5000000), wk = 0.0018248 k( 432) = ( 0.0000000 0.2788462 0.5000000), wk = 0.0018248 k( 433) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0018248 k( 434) = ( 0.0000000 0.2596154 0.5000000), wk = 0.0018248 k( 435) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0018248 k( 436) = ( 0.0000000 0.2403846 0.5000000), wk = 0.0018248 k( 437) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0018248 k( 438) = ( 0.0000000 0.2211539 0.5000000), wk = 0.0018248 k( 439) = ( 0.0000000 0.2115385 0.5000000), wk = 0.0018248 k( 440) = ( 0.0000000 0.2019231 0.5000000), wk = 0.0018248 k( 441) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0018248 k( 442) = ( 0.0000000 0.1826923 0.5000000), wk = 0.0018248 k( 443) = ( 0.0000000 0.1730769 0.5000000), wk = 0.0018248 k( 444) = ( 0.0000000 0.1634615 0.5000000), wk = 0.0018248 k( 445) = ( 0.0000000 0.1538462 0.5000000), wk = 0.0018248 k( 446) = ( 0.0000000 0.1442308 0.5000000), wk = 0.0018248 k( 447) = ( 0.0000000 0.1346154 0.5000000), wk = 0.0018248 k( 448) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0018248 k( 449) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0018248 k( 450) = ( 0.0000000 0.1057692 0.5000000), wk = 0.0018248 k( 451) = ( 0.0000000 0.0961539 0.5000000), wk = 0.0018248 k( 452) = ( 0.0000000 0.0865385 0.5000000), wk = 0.0018248 k( 453) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0018248 k( 454) = ( 0.0000000 0.0673077 0.5000000), wk = 0.0018248 k( 455) = ( 0.0000000 0.0576923 0.5000000), wk = 0.0018248 k( 456) = ( 0.0000000 0.0480769 0.5000000), wk = 0.0018248 k( 457) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0018248 k( 458) = ( 0.0000000 0.0288462 0.5000000), wk = 0.0018248 k( 459) = ( 0.0000000 0.0192308 0.5000000), wk = 0.0018248 k( 460) = ( 0.0000000 0.0096154 0.5000000), wk = 0.0018248 k( 461) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 462) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018248 k( 463) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0018248 k( 464) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0018248 k( 465) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0018248 k( 466) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0018248 k( 467) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0018248 k( 468) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0018248 k( 469) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0018248 k( 470) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0018248 k( 471) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0018248 k( 472) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0018248 k( 473) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0018248 k( 474) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0018248 k( 475) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0018248 k( 476) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0018248 k( 477) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0018248 k( 478) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0018248 k( 479) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0018248 k( 480) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0018248 k( 481) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0018248 k( 482) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0018248 k( 483) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0018248 k( 484) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0018248 k( 485) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0018248 k( 486) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0018248 k( 487) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0018248 k( 488) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0018248 k( 489) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0018248 k( 490) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 491) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 492) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0018248 k( 493) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0018248 k( 494) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0018248 k( 495) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0018248 k( 496) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0018248 k( 497) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0018248 k( 498) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0018248 k( 499) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0018248 k( 500) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0018248 k( 501) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0018248 k( 502) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0018248 k( 503) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0018248 k( 504) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0018248 k( 505) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0018248 k( 506) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0018248 k( 507) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0018248 k( 508) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0018248 k( 509) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0018248 k( 510) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0018248 k( 511) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0018248 k( 512) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0018248 k( 513) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0018248 k( 514) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0018248 k( 515) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0018248 k( 516) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0018248 k( 517) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0018248 k( 518) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0018248 k( 519) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0018248 k( 520) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 521) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0018248 k( 522) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0018248 k( 523) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0018248 k( 524) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0018248 k( 525) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0018248 k( 526) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0018248 k( 527) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0018248 k( 528) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0018248 k( 529) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0018248 k( 530) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0018248 k( 531) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0018248 k( 532) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0018248 k( 533) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0018248 k( 534) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0018248 k( 535) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0018248 k( 536) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0018248 k( 537) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0018248 k( 538) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0018248 k( 539) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0018248 k( 540) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0018248 k( 541) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0018248 k( 542) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0018248 k( 543) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0018248 k( 544) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0018248 k( 545) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0018248 k( 546) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0018248 k( 547) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0018248 k( 548) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 Dense grid: 21627 G-vectors FFT dimensions: ( 27, 30, 54) Smooth grid: 12019 G-vectors FFT dimensions: ( 24, 24, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 108, 26) NL pseudopotentials 0.06 Mb ( 54, 68) Each V/rho on FFT grid 0.02 Mb ( 1620) Each G-vector array 0.01 Mb ( 680) G-vector shells 0.00 Mb ( 346) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 108, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.05 Mb ( 68, 2, 26) The potential is recalculated from file : ./InSb.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 5.0 secs Computing kpt #: 12 total cpu time spent up to now is 5.2 secs Computing kpt #: 13 total cpu time spent up to now is 5.4 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.7 secs Computing kpt #: 16 total cpu time spent up to now is 5.9 secs Computing kpt #: 17 total cpu time spent up to now is 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.2 secs Computing kpt #: 19 total cpu time spent up to now is 6.4 secs Computing kpt #: 20 total cpu time spent up to now is 6.5 secs Computing kpt #: 21 total cpu time spent up to now is 6.7 secs Computing kpt #: 22 total cpu time spent up to now is 6.9 secs Computing kpt #: 23 total cpu time spent up to now is 7.1 secs Computing kpt #: 24 total cpu time spent up to now is 7.3 secs Computing kpt #: 25 total cpu time spent up to now is 7.4 secs Computing kpt #: 26 total cpu time spent up to now is 7.6 secs Computing kpt #: 27 total cpu time spent up to now is 7.8 secs Computing kpt #: 28 total cpu time spent up to now is 8.0 secs Computing kpt #: 29 total cpu time spent up to now is 8.2 secs Computing kpt #: 30 total cpu time spent up to now is 8.4 secs Computing kpt #: 31 total cpu time spent up to now is 8.6 secs Computing kpt #: 32 total cpu time spent up to now is 8.8 secs Computing kpt #: 33 total cpu time spent up to now is 9.0 secs Computing kpt #: 34 total cpu time spent up to now is 9.2 secs Computing kpt #: 35 total cpu time spent up to now is 9.4 secs Computing kpt #: 36 total cpu time spent up to now is 9.6 secs Computing kpt #: 37 total cpu time spent up to now is 9.8 secs Computing kpt #: 38 total cpu time spent up to now is 10.0 secs Computing kpt #: 39 total cpu time spent up to now is 10.2 secs Computing kpt #: 40 total cpu time spent up to now is 10.4 secs Computing kpt #: 41 total cpu time spent up to now is 10.6 secs Computing kpt #: 42 total cpu time spent up to now is 10.8 secs Computing kpt #: 43 total cpu time spent up to now is 11.0 secs Computing kpt #: 44 total cpu time spent up to now is 11.3 secs Computing kpt #: 45 total cpu time spent up to now is 11.5 secs Computing kpt #: 46 total cpu time spent up to now is 11.7 secs Computing kpt #: 47 total cpu time spent up to now is 11.9 secs Computing kpt #: 48 total cpu time spent up to now is 12.2 secs Computing kpt #: 49 total cpu time spent up to now is 12.4 secs Computing kpt #: 50 total cpu time spent up to now is 12.6 secs Computing kpt #: 51 total cpu time spent up to now is 12.9 secs Computing kpt #: 52 total cpu time spent up to now is 13.1 secs Computing kpt #: 53 total cpu time spent up to now is 13.3 secs Computing kpt #: 54 total cpu time spent up to now is 13.5 secs Computing kpt #: 55 total cpu time spent up to now is 13.7 secs Computing kpt #: 56 total cpu time spent up to now is 13.9 secs Computing kpt #: 57 total cpu time spent up to now is 14.1 secs Computing kpt #: 58 total cpu time spent up to now is 14.3 secs Computing kpt #: 59 total cpu time spent up to now is 14.5 secs Computing kpt #: 60 total cpu time spent up to now is 14.7 secs Computing kpt #: 61 total cpu time spent up to now is 14.9 secs Computing kpt #: 62 total cpu time spent up to now is 15.2 secs Computing kpt #: 63 total cpu time spent up to now is 15.4 secs Computing kpt #: 64 total cpu time spent up to now is 15.6 secs Computing kpt #: 65 total cpu time spent up to now is 15.8 secs Computing kpt #: 66 total cpu time spent up to now is 16.0 secs Computing kpt #: 67 total cpu time spent up to now is 16.2 secs Computing kpt #: 68 total cpu time spent up to now is 16.4 secs Computing kpt #: 69 total cpu time spent up to now is 16.6 secs Computing kpt #: 70 total cpu time spent up to now is 16.8 secs Computing kpt #: 71 total cpu time spent up to now is 16.9 secs Computing kpt #: 72 total cpu time spent up to now is 17.1 secs Computing kpt #: 73 total cpu time spent up to now is 17.3 secs Computing kpt #: 74 total cpu time spent up to now is 17.5 secs Computing kpt #: 75 total cpu time spent up to now is 17.7 secs Computing kpt #: 76 total cpu time spent up to now is 17.8 secs Computing kpt #: 77 total cpu time spent up to now is 18.0 secs Computing kpt #: 78 total cpu time spent up to now is 18.2 secs Computing kpt #: 79 total cpu time spent up to now is 18.4 secs Computing kpt #: 80 total cpu time spent up to now is 18.6 secs Computing kpt #: 81 total cpu time spent up to now is 18.8 secs Computing kpt #: 82 total cpu time spent up to now is 18.9 secs Computing kpt #: 83 total cpu time spent up to now is 19.1 secs Computing kpt #: 84 total cpu time spent up to now is 19.3 secs Computing kpt #: 85 total cpu time spent up to now is 19.5 secs Computing kpt #: 86 total cpu time spent up to now is 19.7 secs Computing kpt #: 87 total cpu time spent up to now is 19.8 secs Computing kpt #: 88 total cpu time spent up to now is 20.0 secs Computing kpt #: 89 total cpu time spent up to now is 20.2 secs Computing kpt #: 90 total cpu time spent up to now is 20.4 secs Computing kpt #: 91 total cpu time spent up to now is 20.6 secs Computing kpt #: 92 total cpu time spent up to now is 20.8 secs Computing kpt #: 93 total cpu time spent up to now is 21.0 secs Computing kpt #: 94 total cpu time spent up to now is 21.1 secs Computing kpt #: 95 total cpu time spent up to now is 21.3 secs Computing kpt #: 96 total cpu time spent up to now is 21.5 secs Computing kpt #: 97 total cpu time spent up to now is 21.7 secs Computing kpt #: 98 total cpu time spent up to now is 21.9 secs Computing kpt #: 99 total cpu time spent up to now is 22.0 secs Computing kpt #: 100 total cpu time spent up to now is 22.2 secs Computing kpt #: 101 total cpu time spent up to now is 22.4 secs Computing kpt #: 102 total cpu time spent up to now is 22.6 secs Computing kpt #: 103 total cpu time spent up to now is 22.8 secs Computing kpt #: 104 total cpu time spent up to now is 23.0 secs Computing kpt #: 105 total cpu time spent up to now is 23.2 secs Computing kpt #: 106 total cpu time spent up to now is 23.4 secs Computing kpt #: 107 total cpu time spent up to now is 23.5 secs Computing kpt #: 108 total cpu time spent up to now is 23.7 secs Computing kpt #: 109 total cpu time spent up to now is 23.9 secs Computing kpt #: 110 total cpu time spent up to now is 24.1 secs Computing kpt #: 111 total cpu time spent up to now is 24.3 secs Computing kpt #: 112 total cpu time spent up to now is 24.5 secs Computing kpt #: 113 total cpu time spent up to now is 24.7 secs Computing kpt #: 114 total cpu time spent up to now is 24.8 secs Computing kpt #: 115 total cpu time spent up to now is 25.0 secs Computing kpt #: 116 total cpu time spent up to now is 25.2 secs Computing kpt #: 117 total cpu time spent up to now is 25.3 secs Computing kpt #: 118 total cpu time spent up to now is 25.5 secs Computing kpt #: 119 total cpu time spent up to now is 25.6 secs Computing kpt #: 120 total cpu time spent up to now is 25.8 secs Computing kpt #: 121 total cpu time spent up to now is 25.9 secs Computing kpt #: 122 total cpu time spent up to now is 26.1 secs Computing kpt #: 123 total cpu time spent up to now is 26.2 secs Computing kpt #: 124 total cpu time spent up to now is 26.4 secs Computing kpt #: 125 total cpu time spent up to now is 26.5 secs Computing kpt #: 126 total cpu time spent up to now is 26.7 secs Computing kpt #: 127 total cpu time spent up to now is 26.8 secs Computing kpt #: 128 total cpu time spent up to now is 26.9 secs Computing kpt #: 129 total cpu time spent up to now is 27.1 secs Computing kpt #: 130 total cpu time spent up to now is 27.2 secs Computing kpt #: 131 total cpu time spent up to now is 27.4 secs Computing kpt #: 132 total cpu time spent up to now is 27.5 secs Computing kpt #: 133 total cpu time spent up to now is 27.7 secs Computing kpt #: 134 total cpu time spent up to now is 27.8 secs Computing kpt #: 135 total cpu time spent up to now is 28.0 secs Computing kpt #: 136 total cpu time spent up to now is 28.1 secs Computing kpt #: 137 total cpu time spent up to now is 28.3 secs Computing kpt #: 138 total cpu time spent up to now is 28.4 secs Computing kpt #: 139 total cpu time spent up to now is 28.6 secs Computing kpt #: 140 total cpu time spent up to now is 28.7 secs Computing kpt #: 141 total cpu time spent up to now is 28.8 secs Computing kpt #: 142 total cpu time spent up to now is 29.0 secs Computing kpt #: 143 total cpu time spent up to now is 29.1 secs Computing kpt #: 144 total cpu time spent up to now is 29.3 secs Computing kpt #: 145 total cpu time spent up to now is 29.4 secs Computing kpt #: 146 total cpu time spent up to now is 29.6 secs Computing kpt #: 147 total cpu time spent up to now is 29.7 secs Computing kpt #: 148 total cpu time spent up to now is 29.9 secs Computing kpt #: 149 total cpu time spent up to now is 30.1 secs Computing kpt #: 150 total cpu time spent up to now is 30.2 secs Computing kpt #: 151 total cpu time spent up to now is 30.4 secs Computing kpt #: 152 total cpu time spent up to now is 30.6 secs Computing kpt #: 153 total cpu time spent up to now is 30.8 secs Computing kpt #: 154 total cpu time spent up to now is 30.9 secs Computing kpt #: 155 total cpu time spent up to now is 31.1 secs Computing kpt #: 156 total cpu time spent up to now is 31.3 secs Computing kpt #: 157 total cpu time spent up to now is 31.5 secs Computing kpt #: 158 total cpu time spent up to now is 31.7 secs Computing kpt #: 159 total cpu time spent up to now is 31.9 secs Computing kpt #: 160 total cpu time spent up to now is 32.1 secs Computing kpt #: 161 total cpu time spent up to now is 32.4 secs Computing kpt #: 162 total cpu time spent up to now is 32.8 secs Computing kpt #: 163 total cpu time spent up to now is 33.1 secs Computing kpt #: 164 total cpu time spent up to now is 33.5 secs Computing kpt #: 165 total cpu time spent up to now is 33.8 secs Computing kpt #: 166 total cpu time spent up to now is 34.2 secs Computing kpt #: 167 total cpu time spent up to now is 34.5 secs Computing kpt #: 168 total cpu time spent up to now is 34.8 secs Computing kpt #: 169 total cpu time spent up to now is 35.1 secs Computing kpt #: 170 total cpu time spent up to now is 35.4 secs Computing kpt #: 171 total cpu time spent up to now is 35.7 secs Computing kpt #: 172 total cpu time spent up to now is 36.0 secs Computing kpt #: 173 total cpu time spent up to now is 36.2 secs Computing kpt #: 174 total cpu time spent up to now is 36.5 secs Computing kpt #: 175 total cpu time spent up to now is 36.7 secs Computing kpt #: 176 total cpu time spent up to now is 37.0 secs Computing kpt #: 177 total cpu time spent up to now is 37.2 secs Computing kpt #: 178 total cpu time spent up to now is 37.5 secs Computing kpt #: 179 total cpu time spent up to now is 37.7 secs Computing kpt #: 180 total cpu time spent up to now is 38.0 secs Computing kpt #: 181 total cpu time spent up to now is 38.2 secs Computing kpt #: 182 total cpu time spent up to now is 38.5 secs Computing kpt #: 183 total cpu time spent up to now is 38.7 secs Computing kpt #: 184 total cpu time spent up to now is 38.9 secs Computing kpt #: 185 total cpu time spent up to now is 39.2 secs Computing kpt #: 186 total cpu time spent up to now is 39.4 secs Computing kpt #: 187 total cpu time spent up to now is 39.6 secs Computing kpt #: 188 total cpu time spent up to now is 39.8 secs Computing kpt #: 189 total cpu time spent up to now is 40.0 secs Computing kpt #: 190 total cpu time spent up to now is 40.2 secs Computing kpt #: 191 total cpu time spent up to now is 40.4 secs Computing kpt #: 192 total cpu time spent up to now is 40.6 secs Computing kpt #: 193 total cpu time spent up to now is 40.8 secs Computing kpt #: 194 total cpu time spent up to now is 41.0 secs Computing kpt #: 195 total cpu time spent up to now is 41.2 secs Computing kpt #: 196 total cpu time spent up to now is 41.4 secs Computing kpt #: 197 total cpu time spent up to now is 41.6 secs Computing kpt #: 198 total cpu time spent up to now is 41.9 secs Computing kpt #: 199 total cpu time spent up to now is 42.1 secs Computing kpt #: 200 total cpu time spent up to now is 42.3 secs Computing kpt #: 201 total cpu time spent up to now is 42.6 secs Computing kpt #: 202 total cpu time spent up to now is 42.8 secs Computing kpt #: 203 total cpu time spent up to now is 43.0 secs Computing kpt #: 204 total cpu time spent up to now is 43.2 secs Computing kpt #: 205 total cpu time spent up to now is 43.3 secs Computing kpt #: 206 total cpu time spent up to now is 43.5 secs Computing kpt #: 207 total cpu time spent up to now is 43.7 secs Computing kpt #: 208 total cpu time spent up to now is 43.9 secs Computing kpt #: 209 total cpu time spent up to now is 44.1 secs Computing kpt #: 210 total cpu time spent up to now is 44.3 secs Computing kpt #: 211 total cpu time spent up to now is 44.5 secs Computing kpt #: 212 total cpu time spent up to now is 44.7 secs Computing kpt #: 213 total cpu time spent up to now is 44.9 secs Computing kpt #: 214 total cpu time spent up to now is 45.1 secs Computing kpt #: 215 total cpu time spent up to now is 45.3 secs Computing kpt #: 216 total cpu time spent up to now is 45.5 secs Computing kpt #: 217 total cpu time spent up to now is 45.7 secs Computing kpt #: 218 total cpu time spent up to now is 45.9 secs Computing kpt #: 219 total cpu time spent up to now is 46.1 secs Computing kpt #: 220 total cpu time spent up to now is 46.3 secs Computing kpt #: 221 total cpu time spent up to now is 46.5 secs Computing kpt #: 222 total cpu time spent up to now is 46.7 secs Computing kpt #: 223 total cpu time spent up to now is 46.9 secs Computing kpt #: 224 total cpu time spent up to now is 47.1 secs Computing kpt #: 225 total cpu time spent up to now is 47.3 secs Computing kpt #: 226 total cpu time spent up to now is 47.5 secs Computing kpt #: 227 total cpu time spent up to now is 47.7 secs Computing kpt #: 228 total cpu time spent up to now is 47.9 secs Computing kpt #: 229 total cpu time spent up to now is 48.1 secs Computing kpt #: 230 total cpu time spent up to now is 48.3 secs Computing kpt #: 231 total cpu time spent up to now is 48.5 secs Computing kpt #: 232 total cpu time spent up to now is 48.7 secs Computing kpt #: 233 total cpu time spent up to now is 48.9 secs Computing kpt #: 234 total cpu time spent up to now is 49.0 secs Computing kpt #: 235 total cpu time spent up to now is 49.2 secs Computing kpt #: 236 total cpu time spent up to now is 49.4 secs Computing kpt #: 237 total cpu time spent up to now is 49.6 secs Computing kpt #: 238 total cpu time spent up to now is 49.8 secs Computing kpt #: 239 total cpu time spent up to now is 50.0 secs Computing kpt #: 240 total cpu time spent up to now is 50.2 secs Computing kpt #: 241 total cpu time spent up to now is 50.4 secs Computing kpt #: 242 total cpu time spent up to now is 50.5 secs Computing kpt #: 243 total cpu time spent up to now is 50.7 secs Computing kpt #: 244 total cpu time spent up to now is 50.9 secs Computing kpt #: 245 total cpu time spent up to now is 51.1 secs Computing kpt #: 246 total cpu time spent up to now is 51.3 secs Computing kpt #: 247 total cpu time spent up to now is 51.5 secs Computing kpt #: 248 total cpu time spent up to now is 51.6 secs Computing kpt #: 249 total cpu time spent up to now is 51.8 secs Computing kpt #: 250 total cpu time spent up to now is 52.0 secs Computing kpt #: 251 total cpu time spent up to now is 52.2 secs Computing kpt #: 252 total cpu time spent up to now is 52.4 secs Computing kpt #: 253 total cpu time spent up to now is 52.6 secs Computing kpt #: 254 total cpu time spent up to now is 52.8 secs Computing kpt #: 255 total cpu time spent up to now is 53.0 secs Computing kpt #: 256 total cpu time spent up to now is 53.2 secs Computing kpt #: 257 total cpu time spent up to now is 53.4 secs Computing kpt #: 258 total cpu time spent up to now is 53.5 secs Computing kpt #: 259 total cpu time spent up to now is 53.7 secs Computing kpt #: 260 total cpu time spent up to now is 53.9 secs Computing kpt #: 261 total cpu time spent up to now is 54.1 secs Computing kpt #: 262 total cpu time spent up to now is 54.3 secs Computing kpt #: 263 total cpu time spent up to now is 54.5 secs Computing kpt #: 264 total cpu time spent up to now is 54.6 secs Computing kpt #: 265 total cpu time spent up to now is 54.8 secs Computing kpt #: 266 total cpu time spent up to now is 55.0 secs Computing kpt #: 267 total cpu time spent up to now is 55.2 secs Computing kpt #: 268 total cpu time spent up to now is 55.4 secs Computing kpt #: 269 total cpu time spent up to now is 55.6 secs Computing kpt #: 270 total cpu time spent up to now is 55.8 secs Computing kpt #: 271 total cpu time spent up to now is 56.0 secs Computing kpt #: 272 total cpu time spent up to now is 56.2 secs Computing kpt #: 273 total cpu time spent up to now is 56.4 secs Computing kpt #: 274 total cpu time spent up to now is 56.6 secs Computing kpt #: 275 total cpu time spent up to now is 56.8 secs Computing kpt #: 276 total cpu time spent up to now is 57.0 secs Computing kpt #: 277 total cpu time spent up to now is 57.5 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.0 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.4 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.9 secs Computing kpt #: 281 total cpu time spent up to now is 59.3 secs Computing kpt #: 282 total cpu time spent up to now is 59.5 secs Computing kpt #: 283 total cpu time spent up to now is 59.7 secs Computing kpt #: 284 total cpu time spent up to now is 59.9 secs Computing kpt #: 285 total cpu time spent up to now is 60.1 secs Computing kpt #: 286 total cpu time spent up to now is 60.3 secs Computing kpt #: 287 total cpu time spent up to now is 60.5 secs Computing kpt #: 288 total cpu time spent up to now is 60.7 secs Computing kpt #: 289 total cpu time spent up to now is 60.9 secs Computing kpt #: 290 total cpu time spent up to now is 61.0 secs Computing kpt #: 291 total cpu time spent up to now is 61.2 secs Computing kpt #: 292 total cpu time spent up to now is 61.4 secs Computing kpt #: 293 total cpu time spent up to now is 61.6 secs Computing kpt #: 294 total cpu time spent up to now is 61.8 secs Computing kpt #: 295 total cpu time spent up to now is 61.9 secs Computing kpt #: 296 total cpu time spent up to now is 62.1 secs Computing kpt #: 297 total cpu time spent up to now is 62.3 secs Computing kpt #: 298 total cpu time spent up to now is 62.5 secs Computing kpt #: 299 total cpu time spent up to now is 62.7 secs Computing kpt #: 300 total cpu time spent up to now is 62.8 secs Computing kpt #: 301 total cpu time spent up to now is 63.0 secs Computing kpt #: 302 total cpu time spent up to now is 63.2 secs Computing kpt #: 303 total cpu time spent up to now is 63.4 secs Computing kpt #: 304 total cpu time spent up to now is 63.5 secs Computing kpt #: 305 total cpu time spent up to now is 63.7 secs Computing kpt #: 306 total cpu time spent up to now is 63.9 secs Computing kpt #: 307 total cpu time spent up to now is 64.1 secs Computing kpt #: 308 total cpu time spent up to now is 64.2 secs Computing kpt #: 309 total cpu time spent up to now is 64.4 secs Computing kpt #: 310 total cpu time spent up to now is 64.6 secs Computing kpt #: 311 total cpu time spent up to now is 64.8 secs Computing kpt #: 312 total cpu time spent up to now is 64.9 secs Computing kpt #: 313 total cpu time spent up to now is 65.1 secs Computing kpt #: 314 total cpu time spent up to now is 65.3 secs Computing kpt #: 315 total cpu time spent up to now is 65.5 secs Computing kpt #: 316 total cpu time spent up to now is 65.7 secs Computing kpt #: 317 total cpu time spent up to now is 65.9 secs Computing kpt #: 318 total cpu time spent up to now is 66.1 secs Computing kpt #: 319 total cpu time spent up to now is 66.4 secs Computing kpt #: 320 total cpu time spent up to now is 66.7 secs Computing kpt #: 321 total cpu time spent up to now is 66.9 secs Computing kpt #: 322 total cpu time spent up to now is 67.1 secs Computing kpt #: 323 total cpu time spent up to now is 67.3 secs Computing kpt #: 324 total cpu time spent up to now is 67.5 secs Computing kpt #: 325 total cpu time spent up to now is 67.7 secs Computing kpt #: 326 total cpu time spent up to now is 67.9 secs Computing kpt #: 327 total cpu time spent up to now is 68.1 secs Computing kpt #: 328 total cpu time spent up to now is 68.2 secs Computing kpt #: 329 total cpu time spent up to now is 68.4 secs Computing kpt #: 330 total cpu time spent up to now is 68.6 secs Computing kpt #: 331 total cpu time spent up to now is 68.8 secs Computing kpt #: 332 total cpu time spent up to now is 69.0 secs Computing kpt #: 333 total cpu time spent up to now is 69.1 secs Computing kpt #: 334 total cpu time spent up to now is 69.3 secs Computing kpt #: 335 total cpu time spent up to now is 69.5 secs Computing kpt #: 336 total cpu time spent up to now is 69.7 secs Computing kpt #: 337 total cpu time spent up to now is 69.8 secs Computing kpt #: 338 total cpu time spent up to now is 70.0 secs Computing kpt #: 339 total cpu time spent up to now is 70.2 secs Computing kpt #: 340 total cpu time spent up to now is 70.4 secs Computing kpt #: 341 total cpu time spent up to now is 70.6 secs Computing kpt #: 342 total cpu time spent up to now is 70.8 secs Computing kpt #: 343 total cpu time spent up to now is 71.0 secs Computing kpt #: 344 total cpu time spent up to now is 71.2 secs Computing kpt #: 345 total cpu time spent up to now is 71.4 secs Computing kpt #: 346 total cpu time spent up to now is 71.6 secs Computing kpt #: 347 total cpu time spent up to now is 71.7 secs Computing kpt #: 348 total cpu time spent up to now is 71.9 secs Computing kpt #: 349 total cpu time spent up to now is 72.1 secs Computing kpt #: 350 total cpu time spent up to now is 72.2 secs Computing kpt #: 351 total cpu time spent up to now is 72.4 secs Computing kpt #: 352 total cpu time spent up to now is 72.6 secs Computing kpt #: 353 total cpu time spent up to now is 72.7 secs Computing kpt #: 354 total cpu time spent up to now is 72.9 secs Computing kpt #: 355 total cpu time spent up to now is 73.1 secs Computing kpt #: 356 total cpu time spent up to now is 73.3 secs Computing kpt #: 357 total cpu time spent up to now is 73.4 secs Computing kpt #: 358 total cpu time spent up to now is 73.6 secs Computing kpt #: 359 total cpu time spent up to now is 73.8 secs Computing kpt #: 360 total cpu time spent up to now is 74.0 secs Computing kpt #: 361 total cpu time spent up to now is 74.2 secs Computing kpt #: 362 total cpu time spent up to now is 74.4 secs Computing kpt #: 363 total cpu time spent up to now is 74.5 secs Computing kpt #: 364 total cpu time spent up to now is 74.7 secs Computing kpt #: 365 total cpu time spent up to now is 74.9 secs Computing kpt #: 366 total cpu time spent up to now is 75.1 secs Computing kpt #: 367 total cpu time spent up to now is 75.3 secs Computing kpt #: 368 total cpu time spent up to now is 75.5 secs Computing kpt #: 369 total cpu time spent up to now is 75.7 secs Computing kpt #: 370 total cpu time spent up to now is 75.9 secs Computing kpt #: 371 total cpu time spent up to now is 76.0 secs Computing kpt #: 372 total cpu time spent up to now is 76.2 secs Computing kpt #: 373 total cpu time spent up to now is 76.4 secs Computing kpt #: 374 total cpu time spent up to now is 76.6 secs Computing kpt #: 375 total cpu time spent up to now is 76.8 secs Computing kpt #: 376 total cpu time spent up to now is 77.0 secs Computing kpt #: 377 total cpu time spent up to now is 77.1 secs Computing kpt #: 378 total cpu time spent up to now is 77.3 secs Computing kpt #: 379 total cpu time spent up to now is 77.5 secs Computing kpt #: 380 total cpu time spent up to now is 77.7 secs Computing kpt #: 381 total cpu time spent up to now is 77.9 secs Computing kpt #: 382 total cpu time spent up to now is 78.1 secs Computing kpt #: 383 total cpu time spent up to now is 78.3 secs Computing kpt #: 384 total cpu time spent up to now is 78.5 secs Computing kpt #: 385 total cpu time spent up to now is 78.7 secs Computing kpt #: 386 total cpu time spent up to now is 78.8 secs Computing kpt #: 387 total cpu time spent up to now is 79.0 secs Computing kpt #: 388 total cpu time spent up to now is 79.2 secs Computing kpt #: 389 total cpu time spent up to now is 79.4 secs Computing kpt #: 390 total cpu time spent up to now is 79.6 secs Computing kpt #: 391 total cpu time spent up to now is 79.8 secs Computing kpt #: 392 total cpu time spent up to now is 80.0 secs Computing kpt #: 393 total cpu time spent up to now is 80.2 secs Computing kpt #: 394 total cpu time spent up to now is 80.3 secs Computing kpt #: 395 total cpu time spent up to now is 80.5 secs Computing kpt #: 396 total cpu time spent up to now is 80.7 secs Computing kpt #: 397 total cpu time spent up to now is 80.9 secs Computing kpt #: 398 total cpu time spent up to now is 81.1 secs Computing kpt #: 399 total cpu time spent up to now is 81.3 secs Computing kpt #: 400 total cpu time spent up to now is 81.5 secs Computing kpt #: 401 total cpu time spent up to now is 81.6 secs Computing kpt #: 402 total cpu time spent up to now is 81.8 secs Computing kpt #: 403 total cpu time spent up to now is 82.0 secs Computing kpt #: 404 total cpu time spent up to now is 82.2 secs Computing kpt #: 405 total cpu time spent up to now is 82.4 secs Computing kpt #: 406 total cpu time spent up to now is 82.6 secs Computing kpt #: 407 total cpu time spent up to now is 82.8 secs Computing kpt #: 408 total cpu time spent up to now is 82.9 secs Computing kpt #: 409 total cpu time spent up to now is 83.1 secs Computing kpt #: 410 total cpu time spent up to now is 83.3 secs Computing kpt #: 411 total cpu time spent up to now is 83.5 secs Computing kpt #: 412 total cpu time spent up to now is 83.7 secs Computing kpt #: 413 total cpu time spent up to now is 83.9 secs Computing kpt #: 414 total cpu time spent up to now is 84.0 secs Computing kpt #: 415 total cpu time spent up to now is 84.2 secs Computing kpt #: 416 total cpu time spent up to now is 84.4 secs Computing kpt #: 417 total cpu time spent up to now is 84.6 secs Computing kpt #: 418 total cpu time spent up to now is 84.8 secs Computing kpt #: 419 total cpu time spent up to now is 85.0 secs Computing kpt #: 420 total cpu time spent up to now is 85.2 secs Computing kpt #: 421 total cpu time spent up to now is 85.3 secs Computing kpt #: 422 total cpu time spent up to now is 85.5 secs Computing kpt #: 423 total cpu time spent up to now is 85.7 secs Computing kpt #: 424 total cpu time spent up to now is 85.9 secs Computing kpt #: 425 total cpu time spent up to now is 86.1 secs Computing kpt #: 426 total cpu time spent up to now is 86.3 secs Computing kpt #: 427 total cpu time spent up to now is 86.5 secs Computing kpt #: 428 total cpu time spent up to now is 86.7 secs Computing kpt #: 429 total cpu time spent up to now is 86.9 secs Computing kpt #: 430 total cpu time spent up to now is 87.1 secs Computing kpt #: 431 total cpu time spent up to now is 87.3 secs Computing kpt #: 432 total cpu time spent up to now is 87.6 secs Computing kpt #: 433 total cpu time spent up to now is 87.9 secs Computing kpt #: 434 total cpu time spent up to now is 88.3 secs Computing kpt #: 435 total cpu time spent up to now is 88.5 secs Computing kpt #: 436 total cpu time spent up to now is 88.8 secs Computing kpt #: 437 total cpu time spent up to now is 89.1 secs Computing kpt #: 438 total cpu time spent up to now is 89.4 secs Computing kpt #: 439 total cpu time spent up to now is 89.6 secs Computing kpt #: 440 total cpu time spent up to now is 89.9 secs Computing kpt #: 441 total cpu time spent up to now is 90.1 secs Computing kpt #: 442 total cpu time spent up to now is 90.4 secs Computing kpt #: 443 total cpu time spent up to now is 90.6 secs Computing kpt #: 444 total cpu time spent up to now is 90.9 secs Computing kpt #: 445 total cpu time spent up to now is 91.1 secs Computing kpt #: 446 total cpu time spent up to now is 91.4 secs Computing kpt #: 447 total cpu time spent up to now is 91.6 secs Computing kpt #: 448 total cpu time spent up to now is 91.9 secs Computing kpt #: 449 total cpu time spent up to now is 92.1 secs Computing kpt #: 450 total cpu time spent up to now is 92.3 secs Computing kpt #: 451 total cpu time spent up to now is 92.5 secs Computing kpt #: 452 total cpu time spent up to now is 92.7 secs Computing kpt #: 453 total cpu time spent up to now is 93.0 secs Computing kpt #: 454 total cpu time spent up to now is 93.1 secs Computing kpt #: 455 total cpu time spent up to now is 93.3 secs Computing kpt #: 456 total cpu time spent up to now is 93.5 secs Computing kpt #: 457 total cpu time spent up to now is 93.7 secs Computing kpt #: 458 total cpu time spent up to now is 93.9 secs Computing kpt #: 459 total cpu time spent up to now is 94.1 secs Computing kpt #: 460 total cpu time spent up to now is 94.3 secs Computing kpt #: 461 total cpu time spent up to now is 94.4 secs Computing kpt #: 462 total cpu time spent up to now is 94.8 secs Computing kpt #: 463 total cpu time spent up to now is 95.1 secs Computing kpt #: 464 total cpu time spent up to now is 95.4 secs Computing kpt #: 465 total cpu time spent up to now is 95.7 secs Computing kpt #: 466 total cpu time spent up to now is 95.9 secs Computing kpt #: 467 total cpu time spent up to now is 96.1 secs Computing kpt #: 468 total cpu time spent up to now is 96.3 secs Computing kpt #: 469 total cpu time spent up to now is 96.5 secs Computing kpt #: 470 total cpu time spent up to now is 96.7 secs Computing kpt #: 471 total cpu time spent up to now is 96.9 secs Computing kpt #: 472 total cpu time spent up to now is 97.1 secs Computing kpt #: 473 total cpu time spent up to now is 97.3 secs Computing kpt #: 474 total cpu time spent up to now is 97.5 secs Computing kpt #: 475 total cpu time spent up to now is 97.7 secs Computing kpt #: 476 total cpu time spent up to now is 97.9 secs Computing kpt #: 477 total cpu time spent up to now is 98.1 secs Computing kpt #: 478 total cpu time spent up to now is 98.3 secs Computing kpt #: 479 total cpu time spent up to now is 98.5 secs Computing kpt #: 480 total cpu time spent up to now is 98.6 secs Computing kpt #: 481 total cpu time spent up to now is 98.8 secs Computing kpt #: 482 total cpu time spent up to now is 99.0 secs Computing kpt #: 483 total cpu time spent up to now is 99.2 secs Computing kpt #: 484 total cpu time spent up to now is 99.4 secs Computing kpt #: 485 total cpu time spent up to now is 99.6 secs Computing kpt #: 486 total cpu time spent up to now is 99.8 secs Computing kpt #: 487 total cpu time spent up to now is 100.0 secs Computing kpt #: 488 total cpu time spent up to now is 100.1 secs Computing kpt #: 489 total cpu time spent up to now is 100.3 secs Computing kpt #: 490 total cpu time spent up to now is 100.5 secs Computing kpt #: 491 total cpu time spent up to now is 100.7 secs Computing kpt #: 492 total cpu time spent up to now is 100.9 secs Computing kpt #: 493 total cpu time spent up to now is 101.0 secs Computing kpt #: 494 total cpu time spent up to now is 101.2 secs Computing kpt #: 495 total cpu time spent up to now is 101.4 secs Computing kpt #: 496 total cpu time spent up to now is 101.5 secs Computing kpt #: 497 total cpu time spent up to now is 101.7 secs Computing kpt #: 498 total cpu time spent up to now is 101.8 secs Computing kpt #: 499 total cpu time spent up to now is 102.0 secs Computing kpt #: 500 total cpu time spent up to now is 102.1 secs Computing kpt #: 501 total cpu time spent up to now is 102.3 secs Computing kpt #: 502 total cpu time spent up to now is 102.4 secs Computing kpt #: 503 total cpu time spent up to now is 102.6 secs Computing kpt #: 504 total cpu time spent up to now is 102.7 secs Computing kpt #: 505 total cpu time spent up to now is 102.9 secs Computing kpt #: 506 total cpu time spent up to now is 103.0 secs Computing kpt #: 507 total cpu time spent up to now is 103.2 secs Computing kpt #: 508 total cpu time spent up to now is 103.3 secs Computing kpt #: 509 total cpu time spent up to now is 103.5 secs Computing kpt #: 510 total cpu time spent up to now is 103.6 secs Computing kpt #: 511 total cpu time spent up to now is 103.8 secs Computing kpt #: 512 total cpu time spent up to now is 103.9 secs Computing kpt #: 513 total cpu time spent up to now is 104.1 secs Computing kpt #: 514 total cpu time spent up to now is 104.3 secs Computing kpt #: 515 total cpu time spent up to now is 104.5 secs Computing kpt #: 516 total cpu time spent up to now is 104.7 secs Computing kpt #: 517 total cpu time spent up to now is 104.9 secs Computing kpt #: 518 total cpu time spent up to now is 105.1 secs Computing kpt #: 519 total cpu time spent up to now is 105.3 secs Computing kpt #: 520 total cpu time spent up to now is 105.5 secs Computing kpt #: 521 total cpu time spent up to now is 105.7 secs Computing kpt #: 522 total cpu time spent up to now is 105.9 secs Computing kpt #: 523 total cpu time spent up to now is 106.1 secs Computing kpt #: 524 total cpu time spent up to now is 106.3 secs Computing kpt #: 525 total cpu time spent up to now is 106.5 secs Computing kpt #: 526 total cpu time spent up to now is 106.7 secs Computing kpt #: 527 total cpu time spent up to now is 106.9 secs Computing kpt #: 528 total cpu time spent up to now is 107.1 secs Computing kpt #: 529 total cpu time spent up to now is 107.2 secs Computing kpt #: 530 total cpu time spent up to now is 107.4 secs Computing kpt #: 531 total cpu time spent up to now is 107.6 secs Computing kpt #: 532 total cpu time spent up to now is 107.8 secs Computing kpt #: 533 total cpu time spent up to now is 107.9 secs Computing kpt #: 534 total cpu time spent up to now is 108.1 secs Computing kpt #: 535 total cpu time spent up to now is 108.3 secs Computing kpt #: 536 total cpu time spent up to now is 108.5 secs Computing kpt #: 537 total cpu time spent up to now is 108.7 secs Computing kpt #: 538 total cpu time spent up to now is 108.9 secs Computing kpt #: 539 total cpu time spent up to now is 109.1 secs Computing kpt #: 540 total cpu time spent up to now is 109.2 secs Computing kpt #: 541 total cpu time spent up to now is 109.4 secs Computing kpt #: 542 total cpu time spent up to now is 109.6 secs Computing kpt #: 543 total cpu time spent up to now is 109.8 secs Computing kpt #: 544 total cpu time spent up to now is 110.0 secs Computing kpt #: 545 total cpu time spent up to now is 110.1 secs Computing kpt #: 546 total cpu time spent up to now is 110.3 secs Computing kpt #: 547 total cpu time spent up to now is 110.5 secs Computing kpt #: 548 total cpu time spent up to now is 110.6 secs ethr = 5.56E-11, avg # of iterations = 29.8 total cpu time spent up to now is 110.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1493 PWs) bands (ev): -5.5566 -5.5566 -5.4213 -5.4213 -4.5758 -4.5758 -4.5341 -4.5341 -4.2522 -4.2522 -2.7432 -2.7432 2.9709 2.9709 4.4557 4.4557 13.1794 13.1794 14.7586 14.7586 16.5908 16.5908 16.8607 16.8607 18.6822 18.6822 k = 0.0093-0.0000-0.0000 ( 1497 PWs) bands (ev): -5.5563 -5.5563 -5.4212 -5.4212 -4.5758 -4.5758 -4.5342 -4.5341 -4.2525 -4.2524 -2.7416 -2.7416 2.9724 2.9724 4.4573 4.4573 13.1801 13.1803 14.7329 14.7355 16.5810 16.6036 16.8565 16.8688 18.6964 18.7099 k = 0.0185-0.0000-0.0000 ( 1497 PWs) bands (ev): -5.5552 -5.5552 -5.4210 -5.4209 -4.5758 -4.5757 -4.5344 -4.5344 -4.2533 -4.2530 -2.7371 -2.7371 2.9767 2.9769 4.4619 4.4620 13.1822 13.1828 14.6607 14.6652 16.5760 16.6177 16.8575 16.8799 18.7502 18.7768 k = 0.0278-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5535 -5.5534 -5.4207 -5.4204 -4.5757 -4.5756 -4.5349 -4.5348 -4.2545 -4.2540 -2.7295 -2.7294 2.9839 2.9842 4.4697 4.4699 13.1854 13.1864 14.5477 14.5531 16.5763 16.6323 16.8639 16.8931 18.8366 18.8752 k = 0.0370-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5511 -5.5510 -5.4201 -5.4198 -4.5755 -4.5755 -4.5355 -4.5354 -4.2562 -4.2555 -2.7188 -2.7188 2.9941 2.9945 4.4806 4.4808 13.1889 13.1905 14.4015 14.4067 16.5821 16.6470 16.8754 16.9080 18.9445 18.9937 k = 0.0463-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5480 -5.5479 -5.4194 -5.4189 -4.5753 -4.5753 -4.5362 -4.5361 -4.2583 -4.2575 -2.7051 -2.7051 3.0073 3.0077 4.4946 4.4949 13.1910 13.1934 14.2307 14.2348 16.5927 16.6625 16.8912 16.9246 19.0589 19.1170 k = 0.0556-0.0000-0.0000 ( 1509 PWs) bands (ev): -5.5443 -5.5442 -5.4184 -5.4179 -4.5751 -4.5750 -4.5371 -4.5369 -4.2608 -4.2599 -2.6884 -2.6883 3.0233 3.0239 4.5117 4.5120 13.1882 13.1919 14.0449 14.0470 16.6076 16.6796 16.9106 16.9428 19.1493 19.2227 k = 0.0648-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5401 -5.5399 -5.4173 -5.4167 -4.5749 -4.5748 -4.5380 -4.5378 -4.2638 -4.2626 -2.6686 -2.6686 3.0424 3.0430 4.5318 4.5323 13.1726 13.1786 13.8564 13.8573 16.6261 16.6988 16.9330 16.9629 19.1057 19.2270 k = 0.0741-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5353 -5.5352 -5.4159 -5.4153 -4.5746 -4.5745 -4.5390 -4.5388 -4.2671 -4.2658 -2.6458 -2.6457 3.0643 3.0650 4.5550 4.5555 13.1268 13.1359 13.6846 13.6896 16.6476 16.7205 16.9579 16.9848 18.9328 19.0540 k = 0.0833-0.0000-0.0000 ( 1509 PWs) bands (ev): -5.5302 -5.5300 -5.4143 -5.4136 -4.5743 -4.5742 -4.5401 -4.5398 -4.2708 -4.2694 -2.6199 -2.6198 3.0893 3.0901 4.5812 4.5818 13.0227 13.0343 13.5646 13.5729 16.6714 16.7450 16.9848 17.0084 18.7223 18.8350 k = 0.0926-0.0000-0.0000 ( 1509 PWs) bands (ev): -5.5247 -5.5244 -5.4125 -5.4117 -4.5740 -4.5740 -4.5412 -4.5407 -4.2748 -4.2733 -2.5910 -2.5909 3.1173 3.1181 4.6104 4.6111 12.8511 12.8626 13.5101 13.5191 16.6967 16.7723 17.0133 17.0335 18.4941 18.6021 k = 0.1019-0.0000-0.0000 ( 1509 PWs) bands (ev): -5.5188 -5.5186 -5.4103 -5.4094 -4.5737 -4.5736 -4.5422 -4.5417 -4.2792 -4.2776 -2.5590 -2.5589 3.1482 3.1492 4.6426 4.6433 12.6346 12.6448 13.4992 13.5077 16.7225 16.8021 17.0424 17.0594 18.2558 18.3637 k = 0.1111-0.0000-0.0000 ( 1509 PWs) bands (ev): -5.5129 -5.5126 -5.4078 -5.4069 -4.5735 -4.5733 -4.5431 -4.5425 -4.2839 -4.2821 -2.5240 -2.5239 3.1822 3.1833 4.6777 4.6784 12.3949 12.4036 13.5104 13.5183 16.7465 16.8341 17.0705 17.0849 18.0129 18.1258 k = 0.1204-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5068 -5.5065 -5.4050 -5.4040 -4.5733 -4.5730 -4.5440 -4.5432 -4.2889 -4.2870 -2.4860 -2.4859 3.2193 3.2204 4.7157 4.7165 12.1430 12.1506 13.5337 13.5412 16.7646 16.8673 17.0932 17.1077 17.7730 17.8966 k = 0.1296-0.0000-0.0000 ( 1507 PWs) bands (ev): -5.5007 -5.5004 -5.4018 -5.4008 -4.5731 -4.5728 -4.5446 -4.5437 -4.2941 -4.2921 -2.4449 -2.4448 3.2594 3.2606 4.7565 4.7573 11.8843 11.8911 13.5646 13.5718 16.7676 16.8985 17.0975 17.1236 17.5534 17.6906 k = 0.1389-0.0000-0.0000 ( 1507 PWs) bands (ev): -5.4948 -5.4944 -5.3983 -5.3972 -4.5730 -4.5726 -4.5451 -4.5440 -4.2995 -4.2974 -2.4008 -2.4007 3.3026 3.3039 4.8001 4.8010 11.6218 11.6278 13.6008 13.6080 16.7347 16.9074 17.0559 17.1271 17.4028 17.5343 k = 0.1481-0.0000-0.0000 ( 1501 PWs) bands (ev): -5.4890 -5.4886 -5.3943 -5.3931 -4.5729 -4.5724 -4.5452 -4.5441 -4.3052 -4.3030 -2.3537 -2.3536 3.3489 3.3503 4.8465 4.8474 11.3571 11.3625 13.6414 13.6486 16.6361 16.7925 17.0320 17.1228 17.3587 17.4528 k = 0.1574-0.0000-0.0000 ( 1501 PWs) bands (ev): -5.4836 -5.4831 -5.3899 -5.3887 -4.5729 -4.5722 -4.5451 -4.5439 -4.3109 -4.3087 -2.3036 -2.3035 3.3984 3.3999 4.8955 4.8965 11.0915 11.0963 13.6856 13.6929 16.4657 16.5697 17.0607 17.1281 17.3695 17.4336 k = 0.1667-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.4785 -5.4780 -5.3851 -5.3839 -4.5729 -4.5722 -4.5447 -4.5433 -4.3168 -4.3145 -2.2505 -2.2504 3.4510 3.4526 4.9472 4.9482 10.8256 10.8301 13.7328 13.7404 16.2491 16.3181 17.0991 17.1467 17.3964 17.4451 k = 0.1759-0.0000-0.0000 ( 1509 PWs) bands (ev): -5.4738 -5.4732 -5.3799 -5.3788 -4.5730 -4.5722 -4.5438 -4.5425 -4.3228 -4.3204 -2.1944 -2.1943 3.5069 3.5085 5.0014 5.0024 10.5602 10.5643 13.7828 13.7908 16.0092 16.0572 17.1364 17.1704 17.4253 17.4673 k = 0.1852-0.0000-0.0000 ( 1509 PWs) bands (ev): -5.4695 -5.4689 -5.3745 -5.3733 -4.5730 -4.5722 -4.5426 -4.5412 -4.3288 -4.3264 -2.1353 -2.1352 3.5659 3.5676 5.0581 5.0592 10.2957 10.2995 13.8351 13.8437 15.7581 15.7927 17.1639 17.1873 17.4490 17.4899 k = 0.1944-0.0000-0.0000 ( 1509 PWs) bands (ev): -5.4656 -5.4649 -5.3689 -5.3677 -4.5731 -4.5723 -4.5410 -4.5397 -4.3347 -4.3323 -2.0733 -2.0731 3.6282 3.6299 5.1172 5.1183 10.0325 10.0360 13.8892 13.8986 15.5018 15.5272 17.1642 17.1783 17.4651 17.5085 k = 0.2037-0.0000-0.0000 ( 1501 PWs) bands (ev): -5.4621 -5.4614 -5.3631 -5.3619 -4.5731 -4.5724 -4.5390 -4.5377 -4.3406 -4.3382 -2.0083 -2.0082 3.6937 3.6956 5.1786 5.1798 9.7708 9.7741 13.9443 13.9550 15.2440 15.2623 17.1103 17.1181 17.4838 17.5290 k = 0.2130-0.0000-0.0000 ( 1503 PWs) bands (ev): -5.4590 -5.4582 -5.3573 -5.3562 -4.5732 -4.5725 -4.5365 -4.5353 -4.3465 -4.3441 -1.9405 -1.9403 3.7625 3.7645 5.2423 5.2435 9.5111 9.5142 13.9987 14.0115 14.9878 14.9998 16.9926 16.9976 17.5181 17.5623 k = 0.2222-0.0000-0.0000 ( 1503 PWs) bands (ev): -5.4562 -5.4553 -5.3516 -5.3505 -4.5734 -4.5728 -4.5336 -4.5326 -4.3521 -4.3498 -1.8698 -1.8696 3.8347 3.8367 5.3081 5.3093 9.2535 9.2564 14.0482 14.0649 14.7385 14.7435 16.8303 16.8341 17.5674 17.6098 k = 0.2315-0.0000-0.0000 ( 1499 PWs) bands (ev): -5.4537 -5.4528 -5.3460 -5.3449 -4.5735 -4.5731 -4.5302 -4.5294 -4.3576 -4.3553 -1.7962 -1.7960 3.9102 3.9123 5.3759 5.3771 8.9983 9.0010 14.0770 14.1022 14.5063 14.5123 16.6447 16.6479 17.6267 17.6676 k = 0.2407-0.0000-0.0000 ( 1497 PWs) bands (ev): -5.4514 -5.4505 -5.3407 -5.3396 -4.5738 -4.5734 -4.5264 -4.5258 -4.3628 -4.3606 -1.7198 -1.7196 3.9890 3.9912 5.4456 5.4468 8.7457 8.7482 14.0238 14.0585 14.3535 14.3707 16.4480 16.4508 17.6924 17.7325 k = 0.2500-0.0000-0.0000 ( 1497 PWs) bands (ev): -5.4494 -5.4485 -5.3357 -5.3347 -4.5742 -4.5739 -4.5222 -4.5218 -4.3677 -4.3656 -1.6407 -1.6405 4.0713 4.0735 5.5170 5.5182 8.4958 8.4982 13.8413 13.8683 14.3505 14.3615 16.2467 16.2492 17.7627 17.8025 k = 0.2593-0.0000-0.0000 ( 1493 PWs) bands (ev): -5.4476 -5.4467 -5.3310 -5.3300 -4.5746 -4.5745 -4.5176 -4.5175 -4.3722 -4.3702 -1.5589 -1.5587 4.1569 4.1592 5.5900 5.5912 8.2490 8.2512 13.6069 13.6274 14.4015 14.4072 16.0443 16.0466 17.8368 17.8766 k = 0.2685-0.0000-0.0000 ( 1497 PWs) bands (ev): -5.4460 -5.4450 -5.3268 -5.3258 -4.5753 -4.5753 -4.5129 -4.5127 -4.3762 -4.3745 -1.4744 -1.4743 4.2459 4.2483 5.6644 5.6656 8.0053 8.0075 13.3599 13.3767 14.4654 14.4683 15.8428 15.8450 17.9139 17.9540 k = 0.2778-0.0000-0.0000 ( 1493 PWs) bands (ev): -5.4446 -5.4436 -5.3230 -5.3220 -4.5761 -4.5760 -4.5080 -4.5075 -4.3798 -4.3782 -1.3874 -1.3873 4.3384 4.3408 5.7399 5.7412 7.7652 7.7672 13.1097 13.1241 14.5341 14.5353 15.6437 15.6459 17.9939 18.0345 k = 0.2870-0.0000-0.0000 ( 1489 PWs) bands (ev): -5.4433 -5.4423 -5.3196 -5.3187 -4.5771 -4.5769 -4.5030 -4.5022 -4.3827 -4.3814 -1.2980 -1.2978 4.4343 4.4367 5.8163 5.8175 7.5288 7.5307 12.8594 12.8721 14.6046 14.6046 15.4484 15.4505 18.0763 18.1176 k = 0.2963-0.0000-0.0000 ( 1491 PWs) bands (ev): -5.4422 -5.4411 -5.3167 -5.3158 -4.5783 -4.5780 -4.4980 -4.4969 -4.3849 -4.3839 -1.2061 -1.2059 4.5336 4.5361 5.8931 5.8943 7.2967 7.2984 12.6102 12.6215 14.6734 14.6743 15.2588 15.2612 18.1611 18.2031 k = 0.3056-0.0000-0.0000 ( 1489 PWs) bands (ev): -5.4412 -5.4401 -5.3142 -5.3134 -4.5796 -4.5793 -4.4930 -4.4916 -4.3864 -4.3856 -1.1120 -1.1118 4.6363 4.6388 5.9696 5.9707 7.0696 7.0712 12.3626 12.3729 14.7348 14.7369 15.0814 15.0844 18.2481 18.2910 k = 0.3148-0.0000-0.0000 ( 1491 PWs) bands (ev): -5.4402 -5.4392 -5.3122 -5.3114 -4.5811 -4.5807 -4.4884 -4.4866 -4.3870 -4.3866 -1.0157 -1.0156 4.7423 4.7448 6.0444 6.0452 6.8490 6.8503 12.1171 12.1266 14.7522 14.7552 14.9533 14.9568 18.3371 18.3810 k = 0.3241-0.0000-0.0000 ( 1491 PWs) bands (ev): -5.4394 -5.4384 -5.3106 -5.3098 -4.5826 -4.5822 -4.4841 -4.4820 -4.3866 -4.3866 -0.9175 -0.9174 4.8516 4.8541 6.1132 6.1136 6.6393 6.6401 11.8740 11.8828 14.6444 14.6456 14.9581 14.9593 18.4281 18.4731 k = 0.3333-0.0000-0.0000 ( 1491 PWs) bands (ev): -5.4387 -5.4376 -5.3093 -5.3086 -4.5843 -4.5839 -4.4802 -4.4779 -4.3856 -4.3854 -0.8175 -0.8174 4.9640 4.9664 6.1569 6.1580 6.4589 6.4594 11.6334 11.6416 14.4839 14.4841 15.0196 15.0197 18.5208 18.5671 k = 0.3426-0.0000-0.0000 ( 1491 PWs) bands (ev): -5.4380 -5.4370 -5.3084 -5.3078 -4.5861 -4.5857 -4.4769 -4.4744 -4.3836 -4.3832 -0.7160 -0.7159 5.0791 5.0813 6.0985 6.1019 6.3839 6.3865 11.3956 11.4033 14.3178 14.3179 15.0907 15.0911 18.6151 18.6628 k = 0.3519-0.0000-0.0000 ( 1491 PWs) bands (ev): -5.4375 -5.4365 -5.3079 -5.3073 -4.5880 -4.5876 -4.4742 -4.4715 -4.3807 -4.3801 -0.6131 -0.6130 5.1959 5.1977 5.9353 5.9391 6.4219 6.4246 11.1607 11.1679 14.1541 14.1544 15.1642 15.1650 18.7109 18.7602 k = 0.3611-0.0000-0.0000 ( 1491 PWs) bands (ev): -5.4370 -5.4360 -5.3076 -5.3070 -4.5899 -4.5895 -4.4719 -4.4693 -4.3770 -4.3762 -0.5093 -0.5092 5.3106 5.3113 5.7540 5.7587 6.4879 6.4904 10.9289 10.9357 13.9952 13.9956 15.2381 15.2391 18.8079 18.8589 k = 0.3704-0.0000-0.0000 ( 1492 PWs) bands (ev): -5.4365 -5.4356 -5.3075 -5.3070 -4.5919 -4.5915 -4.4702 -4.4676 -4.3726 -4.3717 -0.4048 -0.4047 5.3932 5.3960 5.6038 5.6121 6.5597 6.5621 10.7003 10.7067 13.8423 13.8427 15.3113 15.3123 18.9059 18.9588 k = 0.3796-0.0000-0.0000 ( 1492 PWs) bands (ev): -5.4361 -5.4352 -5.3076 -5.3072 -4.5938 -4.5935 -4.4689 -4.4663 -4.3678 -4.3668 -0.3001 -0.3001 5.3157 5.3181 5.6238 5.6315 6.6324 6.6348 10.4751 10.4812 13.6959 13.6964 15.3829 15.3841 19.0044 19.0596 k = 0.3889-0.0000-0.0000 ( 1492 PWs) bands (ev): -5.4358 -5.4350 -5.3079 -5.3075 -4.5958 -4.5955 -4.4679 -4.4655 -4.3626 -4.3616 -0.1958 -0.1957 5.1519 5.1527 5.7398 5.7459 6.7042 6.7066 10.2534 10.2592 13.5568 13.5572 15.4526 15.4537 19.1032 19.1606 k = 0.3981-0.0000-0.0000 ( 1494 PWs) bands (ev): -5.4355 -5.4347 -5.3084 -5.3080 -4.5977 -4.5974 -4.4672 -4.4649 -4.3572 -4.3563 -0.0925 -0.0924 4.9817 4.9819 5.8707 5.8764 6.7738 6.7763 10.0356 10.0411 13.4255 13.4259 15.5195 15.5207 19.2015 19.2614 k = 0.4074-0.0000-0.0000 ( 1498 PWs) bands (ev): -5.4352 -5.4345 -5.3089 -5.3085 -4.5995 -4.5993 -4.4666 -4.4645 -4.3519 -4.3510 0.0092 0.0092 4.8159 4.8159 6.0074 6.0129 6.8407 6.8432 9.8218 9.8270 13.3026 13.3030 15.5833 15.5844 19.2987 19.3609 k = 0.4167-0.0000-0.0000 ( 1500 PWs) bands (ev): -5.4350 -5.4344 -5.3094 -5.3091 -4.6012 -4.6010 -4.4662 -4.4643 -4.3467 -4.3459 0.1081 0.1082 4.6575 4.6577 6.1476 6.1531 6.9039 6.9066 9.6125 9.6175 13.1888 13.1892 15.6434 15.6444 19.3937 19.4578 k = 0.4259-0.0000-0.0000 ( 1504 PWs) bands (ev): -5.4349 -5.4342 -5.3100 -5.3098 -4.6028 -4.6027 -4.4659 -4.4642 -4.3418 -4.3411 0.2034 0.2034 4.5086 4.5088 6.2904 6.2959 6.9630 6.9658 9.4082 9.4128 13.0846 13.0849 15.6991 15.7000 19.4854 19.5503 k = 0.4352-0.0000-0.0000 ( 1504 PWs) bands (ev): -5.4347 -5.4342 -5.3106 -5.3104 -4.6043 -4.6042 -4.4656 -4.4642 -4.3373 -4.3366 0.2936 0.2936 4.3707 4.3710 6.4347 6.4404 7.0171 7.0202 9.2095 9.2138 12.9907 12.9910 15.7499 15.7508 19.5723 19.6362 k = 0.4444-0.0000-0.0000 ( 1508 PWs) bands (ev): -5.4346 -5.4341 -5.3112 -5.3110 -4.6056 -4.6055 -4.4654 -4.4642 -4.3332 -4.3326 0.3773 0.3773 4.2455 4.2458 6.5793 6.5853 7.0658 7.0693 9.0174 9.0215 12.9078 12.9080 15.7953 15.7960 19.6526 19.7130 k = 0.4537-0.0000-0.0000 ( 1506 PWs) bands (ev): -5.4345 -5.4341 -5.3117 -5.3115 -4.6068 -4.6067 -4.4653 -4.4642 -4.3296 -4.3291 0.4528 0.4528 4.1348 4.1350 6.7225 6.7289 7.1086 7.1125 8.8338 8.8375 12.8363 12.8366 15.8347 15.8354 19.7246 19.7788 k = 0.4630-0.0000-0.0000 ( 1506 PWs) bands (ev): -5.4344 -5.4340 -5.3121 -5.3120 -4.6077 -4.6076 -4.4651 -4.4643 -4.3266 -4.3262 0.5183 0.5184 4.0405 4.0406 6.8609 6.8680 7.1450 7.1498 8.6614 8.6647 12.7770 12.7772 15.8678 15.8683 19.7866 19.8321 k = 0.4722-0.0000-0.0000 ( 1508 PWs) bands (ev): -5.4343 -5.4340 -5.3125 -5.3124 -4.6085 -4.6084 -4.4650 -4.4644 -4.3242 -4.3239 0.5719 0.5719 3.9644 3.9646 6.9888 6.9968 7.1756 7.1816 8.5050 8.5078 12.7303 12.7304 15.8939 15.8944 19.8373 19.8723 k = 0.4815-0.0000-0.0000 ( 1508 PWs) bands (ev): -5.4342 -5.4340 -5.3127 -5.3127 -4.6090 -4.6090 -4.4649 -4.4644 -4.3224 -4.3222 0.6118 0.6118 3.9085 3.9086 7.0940 7.1031 7.2033 7.2108 8.3736 8.3757 12.6966 12.6967 15.9129 15.9132 19.8757 19.8994 k = 0.4907-0.0000-0.0000 ( 1500 PWs) bands (ev): -5.4341 -5.4341 -5.3129 -5.3128 -4.6093 -4.6093 -4.4648 -4.4645 -4.3213 -4.3213 0.6364 0.6364 3.8743 3.8743 7.1570 7.1633 7.2366 7.2420 8.2817 8.2829 12.6762 12.6763 15.9245 15.9246 19.9014 19.9133 k = 0.5000-0.0000-0.0000 ( 1500 PWs) bands (ev): -5.4341 -5.4341 -5.3129 -5.3129 -4.6094 -4.6094 -4.4646 -4.4646 -4.3210 -4.3210 0.6447 0.6447 3.8628 3.8628 7.1761 7.1761 7.2580 7.2580 8.2482 8.2482 12.6695 12.6695 15.9284 15.9284 19.9139 19.9139 k = 0.5000-0.0000-0.0000 ( 1500 PWs) bands (ev): -5.4341 -5.4341 -5.3129 -5.3129 -4.6094 -4.6094 -4.4646 -4.4646 -4.3210 -4.3210 0.6447 0.6447 3.8628 3.8628 7.1761 7.1761 7.2580 7.2580 8.2482 8.2482 12.6695 12.6695 15.9284 15.9284 19.9139 19.9139 k = 0.5000 0.0092-0.0000 ( 1504 PWs) bands (ev): -5.4339 -5.4339 -5.3129 -5.3129 -4.6094 -4.6094 -4.4647 -4.4647 -4.3209 -4.3209 0.6461 0.6461 3.8642 3.8642 7.1777 7.1777 7.2593 7.2593 8.2497 8.2497 12.6707 12.6707 15.9090 15.9090 19.9133 19.9133 k = 0.5000 0.0183-0.0000 ( 1508 PWs) bands (ev): -5.4333 -5.4333 -5.3129 -5.3129 -4.6093 -4.6093 -4.4650 -4.4650 -4.3209 -4.3209 0.6502 0.6502 3.8685 3.8685 7.1828 7.1828 7.2633 7.2633 8.2542 8.2542 12.6744 12.6744 15.8518 15.8518 19.9106 19.9106 k = 0.5000 0.0275-0.0000 ( 1508 PWs) bands (ev): -5.4324 -5.4324 -5.3129 -5.3129 -4.6093 -4.6093 -4.4654 -4.4654 -4.3209 -4.3209 0.6572 0.6572 3.8757 3.8757 7.1912 7.1912 7.2699 7.2699 8.2617 8.2617 12.6806 12.6806 15.7596 15.7596 19.9037 19.9037 k = 0.5000 0.0367-0.0000 ( 1508 PWs) bands (ev): -5.4311 -5.4311 -5.3129 -5.3129 -4.6091 -4.6091 -4.4660 -4.4660 -4.3208 -4.3208 0.6669 0.6669 3.8857 3.8857 7.2029 7.2029 7.2793 7.2793 8.2722 8.2722 12.6893 12.6893 15.6364 15.6364 19.8893 19.8893 k = 0.5000 0.0459-0.0000 ( 1508 PWs) bands (ev): -5.4294 -5.4294 -5.3129 -5.3129 -4.6090 -4.6090 -4.4668 -4.4668 -4.3207 -4.3207 0.6795 0.6795 3.8986 3.8986 7.2179 7.2179 7.2914 7.2914 8.2856 8.2856 12.7005 12.7005 15.4866 15.4866 19.8603 19.8603 k = 0.5000 0.0550-0.0000 ( 1508 PWs) bands (ev): -5.4275 -5.4275 -5.3130 -5.3130 -4.6087 -4.6087 -4.4678 -4.4678 -4.3205 -4.3205 0.6948 0.6948 3.9144 3.9144 7.2360 7.2360 7.3062 7.3062 8.3020 8.3020 12.7141 12.7141 15.3148 15.3148 19.7711 19.7711 k = 0.5000 0.0642-0.0000 ( 1512 PWs) bands (ev): -5.4252 -5.4252 -5.3130 -5.3130 -4.6084 -4.6084 -4.4689 -4.4689 -4.3202 -4.3202 0.7129 0.7129 3.9329 3.9329 7.2574 7.2574 7.3239 7.3239 8.3212 8.3212 12.7302 12.7302 15.1251 15.1251 19.5577 19.5577 k = 0.5000 0.0734-0.0000 ( 1512 PWs) bands (ev): -5.4227 -5.4227 -5.3130 -5.3130 -4.6080 -4.6080 -4.4703 -4.4703 -4.3198 -4.3198 0.7338 0.7338 3.9543 3.9543 7.2817 7.2817 7.3446 7.3446 8.3433 8.3433 12.7488 12.7488 14.9211 14.9211 19.3137 19.3137 k = 0.5000 0.0825-0.0000 ( 1508 PWs) bands (ev): -5.4200 -5.4200 -5.3131 -5.3131 -4.6075 -4.6075 -4.4718 -4.4718 -4.3192 -4.3192 0.7574 0.7574 3.9785 3.9785 7.3089 7.3089 7.3684 7.3684 8.3682 8.3682 12.7699 12.7699 14.7056 14.7056 19.0662 19.0662 k = 0.5000 0.0917-0.0000 ( 1508 PWs) bands (ev): -5.4170 -5.4170 -5.3132 -5.3132 -4.6069 -4.6069 -4.4736 -4.4736 -4.3185 -4.3185 0.7839 0.7839 4.0054 4.0054 7.3387 7.3387 7.3955 7.3955 8.3958 8.3958 12.7935 12.7935 14.4813 14.4813 18.8193 18.8193 k = 0.5000 0.1009-0.0000 ( 1508 PWs) bands (ev): -5.4140 -5.4140 -5.3133 -5.3133 -4.6062 -4.6062 -4.4755 -4.4755 -4.3175 -4.3175 0.8132 0.8132 4.0350 4.0350 7.3710 7.3710 7.4261 7.4261 8.4262 8.4262 12.8196 12.8196 14.2502 14.2502 18.5740 18.5740 k = 0.5000 0.1100-0.0000 ( 1512 PWs) bands (ev): -5.4108 -5.4108 -5.3135 -5.3135 -4.6053 -4.6053 -4.4777 -4.4777 -4.3163 -4.3163 0.8453 0.8453 4.0674 4.0674 7.4053 7.4053 7.4605 7.4605 8.4591 8.4591 12.8481 12.8481 14.0139 14.0139 18.3311 18.3311 k = 0.5000 0.1192-0.0000 ( 1514 PWs) bands (ev): -5.4075 -5.4075 -5.3137 -5.3137 -4.6044 -4.6044 -4.4800 -4.4800 -4.3148 -4.3148 0.8802 0.8802 4.1024 4.1024 7.4417 7.4417 7.4989 7.4989 8.4945 8.4945 12.8791 12.8791 13.7738 13.7738 18.0910 18.0910 k = 0.5000 0.1284-0.0000 ( 1518 PWs) bands (ev): -5.4043 -5.4043 -5.3140 -5.3140 -4.6033 -4.6033 -4.4824 -4.4824 -4.3131 -4.3131 0.9179 0.9179 4.1400 4.1400 7.4799 7.4799 7.5412 7.5412 8.5324 8.5324 12.9126 12.9126 13.5310 13.5310 17.8539 17.8539 k = 0.5000 0.1376-0.0000 ( 1522 PWs) bands (ev): -5.4010 -5.4010 -5.3144 -5.3144 -4.6020 -4.6020 -4.4850 -4.4850 -4.3110 -4.3110 0.9584 0.9584 4.1803 4.1803 7.5201 7.5201 7.5874 7.5874 8.5726 8.5726 12.9486 12.9486 13.2865 13.2865 17.6200 17.6200 k = 0.5000 0.1467-0.0000 ( 1514 PWs) bands (ev): -5.3978 -5.3978 -5.3148 -5.3148 -4.6007 -4.6007 -4.4876 -4.4876 -4.3086 -4.3086 1.0018 1.0018 4.2230 4.2230 7.5623 7.5623 7.6373 7.6373 8.6151 8.6151 12.9866 12.9866 13.0415 13.0415 17.3896 17.3896 k = 0.5000 0.1559-0.0000 ( 1510 PWs) bands (ev): -5.3947 -5.3947 -5.3153 -5.3153 -4.5993 -4.5993 -4.4902 -4.4902 -4.3059 -4.3059 1.0479 1.0479 4.2683 4.2683 7.6067 7.6067 7.6909 7.6909 8.6596 8.6596 12.7951 12.7951 13.0283 13.0283 17.1629 17.1629 k = 0.5000 0.1651-0.0000 ( 1510 PWs) bands (ev): -5.3917 -5.3917 -5.3160 -5.3160 -4.5979 -4.5979 -4.4927 -4.4927 -4.3028 -4.3028 1.0969 1.0969 4.3159 4.3159 7.6533 7.6533 7.7478 7.7478 8.7061 8.7061 12.5496 12.5496 13.0717 13.0717 16.9400 16.9400 k = 0.5000 0.1742-0.0000 ( 1510 PWs) bands (ev): -5.3889 -5.3889 -5.3167 -5.3167 -4.5966 -4.5966 -4.4951 -4.4951 -4.2993 -4.2993 1.1486 1.1486 4.3660 4.3660 7.7024 7.7024 7.8079 7.8079 8.7544 8.7544 12.3050 12.3050 13.1176 13.1176 16.7212 16.7212 k = 0.5000 0.1834-0.0000 ( 1506 PWs) bands (ev): -5.3862 -5.3862 -5.3176 -5.3176 -4.5954 -4.5954 -4.4973 -4.4973 -4.2955 -4.2955 1.2032 1.2032 4.4184 4.4184 7.7538 7.7538 7.8711 7.8711 8.8043 8.8043 12.0617 12.0617 13.1661 13.1661 16.5067 16.5067 k = 0.5000 0.1926-0.0000 ( 1510 PWs) bands (ev): -5.3837 -5.3837 -5.3186 -5.3186 -4.5944 -4.5944 -4.4992 -4.4992 -4.2913 -4.2913 1.2605 1.2605 4.4729 4.4729 7.8077 7.8077 7.9373 7.9373 8.8556 8.8556 11.8200 11.8200 13.2170 13.2170 16.2967 16.2967 k = 0.5000 0.2017-0.0000 ( 1506 PWs) bands (ev): -5.3815 -5.3815 -5.3197 -5.3197 -4.5937 -4.5937 -4.5006 -4.5006 -4.2867 -4.2867 1.3207 1.3207 4.5297 4.5297 7.8641 7.8641 8.0061 8.0061 8.9082 8.9082 11.5806 11.5806 13.2704 13.2704 16.0914 16.0914 k = 0.5000 0.2109-0.0000 ( 1506 PWs) bands (ev): -5.3794 -5.3794 -5.3210 -5.3210 -4.5934 -4.5934 -4.5015 -4.5015 -4.2817 -4.2817 1.3836 1.3836 4.5885 4.5885 7.9229 7.9229 8.0775 8.0775 8.9617 8.9617 11.3438 11.3438 13.3263 13.3263 15.8910 15.8910 k = 0.5000 0.2201-0.0000 ( 1506 PWs) bands (ev): -5.3776 -5.3776 -5.3224 -5.3224 -4.5936 -4.5936 -4.5018 -4.5018 -4.2763 -4.2763 1.4492 1.4492 4.6493 4.6493 7.9840 7.9840 8.1513 8.1513 9.0160 9.0160 11.1102 11.1102 13.3846 13.3846 15.6960 15.6960 k = 0.5000 0.2293-0.0000 ( 1502 PWs) bands (ev): -5.3760 -5.3760 -5.3239 -5.3239 -4.5943 -4.5943 -4.5014 -4.5014 -4.2705 -4.2705 1.5176 1.5176 4.7119 4.7119 8.0473 8.0473 8.2272 8.2272 9.0707 9.0707 10.8804 10.8804 13.4454 13.4454 15.5065 15.5065 k = 0.5000 0.2384-0.0000 ( 1502 PWs) bands (ev): -5.3747 -5.3747 -5.3256 -5.3256 -4.5956 -4.5956 -4.5005 -4.5005 -4.2644 -4.2644 1.5887 1.5887 4.7763 4.7763 8.1124 8.1124 8.3048 8.3048 9.1254 9.1254 10.6551 10.6551 13.5087 13.5087 15.3229 15.3229 k = 0.5000 0.2476-0.0000 ( 1498 PWs) bands (ev): -5.3736 -5.3736 -5.3274 -5.3274 -4.5973 -4.5973 -4.4989 -4.4989 -4.2579 -4.2579 1.6625 1.6625 4.8423 4.8423 8.1791 8.1791 8.3837 8.3837 9.1798 9.1798 10.4356 10.4356 13.5744 13.5744 15.1457 15.1457 k = 0.5000 0.2568-0.0000 ( 1494 PWs) bands (ev): -5.3727 -5.3727 -5.3294 -5.3294 -4.5996 -4.5996 -4.4968 -4.4968 -4.2511 -4.2511 1.7388 1.7388 4.9098 4.9098 8.2465 8.2465 8.4632 8.4632 9.2332 9.2332 10.2236 10.2236 13.6425 13.6425 14.9750 14.9750 k = 0.5000 0.2659-0.0000 ( 1488 PWs) bands (ev): -5.3721 -5.3721 -5.3314 -5.3314 -4.6022 -4.6022 -4.4942 -4.4942 -4.2440 -4.2440 1.8178 1.8178 4.9786 4.9786 8.3133 8.3133 8.5424 8.5424 9.2848 9.2848 10.0219 10.0219 13.7131 13.7131 14.8115 14.8115 k = 0.5000 0.2751-0.0000 ( 1488 PWs) bands (ev): -5.3717 -5.3717 -5.3334 -5.3334 -4.6052 -4.6052 -4.4912 -4.4912 -4.2366 -4.2366 1.8992 1.8992 5.0486 5.0486 8.3768 8.3768 8.6199 8.6199 9.3330 9.3330 9.8357 9.8357 13.7860 13.7860 14.6556 14.6556 k = 0.5000 0.2843-0.0000 ( 1486 PWs) bands (ev): -5.3715 -5.3715 -5.3355 -5.3355 -4.6085 -4.6085 -4.4880 -4.4880 -4.2290 -4.2290 1.9831 1.9831 5.1196 5.1196 8.4318 8.4318 8.6940 8.6940 9.3736 9.3736 9.6759 9.6759 13.8612 13.8612 14.5078 14.5078 k = 0.5000 0.2934-0.0000 ( 1488 PWs) bands (ev): -5.3716 -5.3716 -5.3376 -5.3376 -4.6119 -4.6119 -4.4846 -4.4846 -4.2212 -4.2212 2.0693 2.0693 5.1913 5.1913 8.4680 8.4680 8.7632 8.7632 9.3916 9.3916 9.5689 9.5689 13.9387 13.9387 14.3687 14.3687 k = 0.5000 0.3026-0.0000 ( 1488 PWs) bands (ev): -5.3719 -5.3719 -5.3397 -5.3397 -4.6154 -4.6154 -4.4810 -4.4810 -4.2132 -4.2132 2.1577 2.1577 5.2635 5.2635 8.4681 8.4681 8.8286 8.8286 9.3705 9.3705 9.5471 9.5471 14.0179 14.0179 14.2391 14.2391 k = 0.5000 0.3118-0.0000 ( 1488 PWs) bands (ev): -5.3725 -5.3725 -5.3417 -5.3417 -4.6190 -4.6190 -4.4775 -4.4775 -4.2051 -4.2051 2.2482 2.2482 5.3360 5.3360 8.4160 8.4160 8.8954 8.8954 9.3584 9.3584 9.5723 9.5723 14.0893 14.0893 14.1292 14.1292 k = 0.5000 0.3210-0.0000 ( 1488 PWs) bands (ev): -5.3733 -5.3733 -5.3436 -5.3436 -4.6226 -4.6226 -4.4739 -4.4739 -4.1970 -4.1970 2.3406 2.3406 5.4084 5.4084 8.3140 8.3140 8.9682 8.9682 9.3846 9.3846 9.6084 9.6084 14.0040 14.0040 14.1881 14.1881 k = 0.5000 0.3301-0.0000 ( 1500 PWs) bands (ev): -5.3742 -5.3742 -5.3455 -5.3455 -4.6261 -4.6261 -4.4705 -4.4705 -4.1890 -4.1890 2.4347 2.4347 5.4804 5.4804 8.1784 8.1784 9.0474 9.0474 9.4405 9.4405 9.6466 9.6466 13.9043 13.9043 14.2737 14.2737 k = 0.5000 0.3393-0.0000 ( 1508 PWs) bands (ev): -5.3754 -5.3754 -5.3471 -5.3471 -4.6296 -4.6296 -4.4671 -4.4671 -4.1810 -4.1810 2.5304 2.5304 5.5517 5.5517 8.0248 8.0248 9.1307 9.1307 9.5137 9.5137 9.6859 9.6859 13.8140 13.8140 14.2120 14.2120 k = 0.5000 0.3485-0.0000 ( 1508 PWs) bands (ev): -5.3768 -5.3768 -5.3487 -5.3487 -4.6330 -4.6330 -4.4639 -4.4639 -4.1731 -4.1731 2.6272 2.6272 5.6217 5.6217 7.8631 7.8631 9.2151 9.2151 9.5953 9.5953 9.7281 9.7281 13.7323 13.7323 14.0032 14.0032 k = 0.5000 0.3576-0.0000 ( 1506 PWs) bands (ev): -5.3782 -5.3782 -5.3500 -5.3500 -4.6362 -4.6362 -4.4608 -4.4608 -4.1655 -4.1655 2.7248 2.7248 5.6899 5.6899 7.6990 7.6990 9.2969 9.2969 9.6779 9.6779 9.7782 9.7782 13.6513 13.6513 13.8083 13.8083 k = 0.5000 0.3668-0.0000 ( 1502 PWs) bands (ev): -5.3798 -5.3798 -5.3513 -5.3513 -4.6392 -4.6392 -4.4579 -4.4579 -4.1581 -4.1581 2.8229 2.8229 5.7558 5.7558 7.5363 7.5363 9.3718 9.3718 9.7538 9.7538 9.8448 9.8448 13.5296 13.5296 13.6689 13.6689 k = 0.5000 0.3760-0.0000 ( 1510 PWs) bands (ev): -5.3814 -5.3814 -5.3524 -5.3524 -4.6421 -4.6421 -4.4552 -4.4552 -4.1511 -4.1511 2.9208 2.9208 5.8187 5.8187 7.3773 7.3773 9.4349 9.4349 9.8240 9.8240 9.9297 9.9297 13.3486 13.3486 13.6036 13.6036 k = 0.5000 0.3851-0.0000 ( 1510 PWs) bands (ev): -5.3831 -5.3831 -5.3534 -5.3534 -4.6448 -4.6448 -4.4527 -4.4527 -4.1444 -4.1444 3.0178 3.0178 5.8777 5.8777 7.2243 7.2243 9.4824 9.4824 9.8980 9.8980 10.0255 10.0255 13.1548 13.1548 13.5653 13.5653 k = 0.5000 0.3943-0.0000 ( 1518 PWs) bands (ev): -5.3846 -5.3846 -5.3542 -5.3542 -4.6472 -4.6472 -4.4505 -4.4505 -4.1382 -4.1382 3.1132 3.1132 5.9318 5.9318 7.0792 7.0792 9.5141 9.5141 9.9804 9.9804 10.1269 10.1269 12.9611 12.9611 13.5405 13.5405 k = 0.5000 0.4035-0.0000 ( 1518 PWs) bands (ev): -5.3862 -5.3862 -5.3550 -5.3550 -4.6494 -4.6494 -4.4484 -4.4484 -4.1326 -4.1326 3.2059 3.2059 5.9797 5.9797 6.9442 6.9442 9.5324 9.5324 10.0694 10.0694 10.2324 10.2324 12.7701 12.7701 13.5256 13.5256 k = 0.5000 0.4127-0.0000 ( 1518 PWs) bands (ev): -5.3876 -5.3876 -5.3556 -5.3556 -4.6514 -4.6514 -4.4466 -4.4466 -4.1274 -4.1274 3.2947 3.2947 6.0198 6.0198 6.8218 6.8218 9.5408 9.5408 10.1603 10.1603 10.3422 10.3422 12.5828 12.5828 13.5184 13.5184 k = 0.5000 0.4218-0.0000 ( 1518 PWs) bands (ev): -5.3889 -5.3889 -5.3562 -5.3562 -4.6531 -4.6531 -4.4451 -4.4451 -4.1229 -4.1229 3.3781 3.3781 6.0502 6.0502 6.7151 6.7151 9.5426 9.5426 10.2481 10.2481 10.4571 10.4571 12.3999 12.3999 13.5163 13.5163 k = 0.5000 0.4310-0.0000 ( 1520 PWs) bands (ev): -5.3900 -5.3900 -5.3566 -5.3566 -4.6546 -4.6546 -4.4438 -4.4438 -4.1189 -4.1189 3.4542 3.4542 6.0687 6.0687 6.6276 6.6276 9.5403 9.5403 10.3285 10.3285 10.5775 10.5775 12.2220 12.2220 13.5161 13.5161 k = 0.5000 0.4402-0.0000 ( 1516 PWs) bands (ev): -5.3909 -5.3909 -5.3570 -5.3570 -4.6558 -4.6558 -4.4427 -4.4427 -4.1157 -4.1157 3.5210 3.5210 6.0742 6.0742 6.5618 6.5618 9.5359 9.5359 10.3982 10.3982 10.7028 10.7028 12.0504 12.0504 13.5129 13.5129 k = 0.5000 0.4493-0.0000 ( 1516 PWs) bands (ev): -5.3917 -5.3917 -5.3573 -5.3573 -4.6568 -4.6568 -4.4418 -4.4418 -4.1131 -4.1131 3.5763 3.5763 6.0685 6.0685 6.5180 6.5180 9.5309 9.5309 10.4548 10.4548 10.8306 10.8306 11.8873 11.8873 13.5009 13.5009 k = 0.5000 0.4585-0.0000 ( 1516 PWs) bands (ev): -5.3922 -5.3922 -5.3575 -5.3575 -4.6575 -4.6575 -4.4412 -4.4412 -4.1113 -4.1113 3.6179 3.6179 6.0569 6.0569 6.4925 6.4925 9.5265 9.5265 10.4967 10.4967 10.9551 10.9551 11.7378 11.7378 13.4800 13.4800 k = 0.5000 0.4677-0.0000 ( 1520 PWs) bands (ev): -5.3926 -5.3926 -5.3576 -5.3576 -4.6579 -4.6579 -4.4409 -4.4409 -4.1102 -4.1102 3.6437 3.6437 6.0463 6.0463 6.4800 6.4800 9.5236 9.5236 10.5225 10.5225 11.0614 11.0614 11.6167 11.6167 13.4614 13.4614 k = 0.5000 0.4769-0.0000 ( 1516 PWs) bands (ev): -5.3927 -5.3927 -5.3577 -5.3577 -4.6580 -4.6580 -4.4407 -4.4407 -4.1098 -4.1098 3.6525 3.6525 6.0421 6.0421 6.4764 6.4764 9.5225 9.5225 10.5312 10.5312 11.1093 11.1093 11.5639 11.5639 13.4542 13.4542 k = 0.5000 0.4769-0.0000 ( 1516 PWs) bands (ev): -5.3927 -5.3927 -5.3577 -5.3577 -4.6580 -4.6580 -4.4407 -4.4407 -4.1098 -4.1098 3.6525 3.6525 6.0421 6.0421 6.4764 6.4764 9.5225 9.5225 10.5312 10.5312 11.1093 11.1093 11.5639 11.5639 13.4542 13.4542 k = 0.4907 0.4769-0.0000 ( 1516 PWs) bands (ev): -5.3926 -5.3925 -5.3576 -5.3575 -4.6580 -4.6577 -4.4408 -4.4407 -4.1104 -4.1103 3.6420 3.6422 6.0435 6.0488 6.4760 6.4838 9.5197 9.5272 10.5232 10.5314 11.1006 11.1070 11.5608 11.5646 13.4486 13.4565 k = 0.4815 0.4769-0.0000 ( 1508 PWs) bands (ev): -5.3923 -5.3921 -5.3574 -5.3573 -4.6575 -4.6571 -4.4410 -4.4409 -4.1121 -4.1120 3.6115 3.6118 6.0503 6.0604 6.4854 6.5005 9.5185 9.5333 10.5075 10.5238 11.0810 11.0939 11.5558 11.5637 13.4370 13.4493 k = 0.4722 0.4769-0.0000 ( 1508 PWs) bands (ev): -5.3918 -5.3915 -5.3570 -5.3568 -4.6568 -4.6562 -4.4413 -4.4411 -4.1149 -4.1147 3.5627 3.5631 6.0553 6.0689 6.5113 6.5323 9.5178 9.5396 10.4843 10.5084 11.0510 11.0707 11.5512 11.5632 13.4135 13.4260 k = 0.4630 0.4769-0.0000 ( 1512 PWs) bands (ev): -5.3910 -5.3906 -5.3565 -5.3563 -4.6557 -4.6549 -4.4417 -4.4414 -4.1188 -4.1185 3.4981 3.4986 6.0500 6.0647 6.5615 6.5858 9.5159 9.5440 10.4539 10.4854 11.0114 11.0378 11.5501 11.5661 13.3763 13.3868 k = 0.4537 0.4769-0.0000 ( 1510 PWs) bands (ev): -5.3901 -5.3895 -5.3558 -5.3555 -4.6544 -4.6533 -4.4422 -4.4418 -4.1237 -4.1234 3.4206 3.4212 6.0294 6.0429 6.6391 6.6643 9.5107 9.5443 10.4169 10.4547 10.9634 10.9961 11.5564 11.5761 13.3264 13.3348 k = 0.4444 0.4769-0.0000 ( 1512 PWs) bands (ev): -5.3889 -5.3883 -5.3550 -5.3546 -4.6526 -4.6514 -4.4428 -4.4423 -4.1297 -4.1293 3.3327 3.3335 5.9931 6.0040 6.7419 6.7664 9.5004 9.5383 10.3736 10.4165 10.9079 10.9461 11.5737 11.5965 13.2661 13.2726 k = 0.4352 0.4769-0.0000 ( 1508 PWs) bands (ev): -5.3877 -5.3868 -5.3539 -5.3536 -4.6506 -4.6492 -4.4435 -4.4430 -4.1366 -4.1362 3.2370 3.2379 5.9433 5.9514 6.8651 6.8885 9.4831 9.5240 10.3246 10.3710 10.8462 10.8886 11.6053 11.6304 13.1972 13.2021 k = 0.4259 0.4769-0.0000 ( 1504 PWs) bands (ev): -5.3863 -5.3853 -5.3527 -5.3523 -4.6482 -4.6467 -4.4443 -4.4437 -4.1445 -4.1440 3.1355 3.1365 5.8828 5.8883 7.0046 7.0269 9.4577 9.5001 10.2706 10.3186 10.7791 10.8244 11.6535 11.6799 13.1215 13.1251 k = 0.4167 0.4769-0.0000 ( 1508 PWs) bands (ev): -5.3848 -5.3836 -5.3513 -5.3509 -4.6456 -4.6439 -4.4451 -4.4445 -4.1533 -4.1527 3.0299 3.0310 5.8140 5.8172 7.1568 7.1782 9.4238 9.4661 10.2122 10.2598 10.7076 10.7544 11.7193 11.7462 13.0403 13.0428 k = 0.4074 0.4769-0.0000 ( 1508 PWs) bands (ev): -5.3832 -5.3819 -5.3497 -5.3494 -4.6427 -4.6408 -4.4461 -4.4453 -4.1628 -4.1621 2.9215 2.9228 5.7389 5.7402 7.3193 7.3401 9.3817 9.4223 10.1499 10.1953 10.6325 10.6796 11.8027 11.8296 12.9549 12.9566 k = 0.3981 0.4769-0.0000 ( 1508 PWs) bands (ev): -5.3817 -5.3802 -5.3479 -5.3477 -4.6395 -4.6375 -4.4471 -4.4463 -4.1731 -4.1723 2.8116 2.8129 5.6587 5.6590 7.4901 7.5104 9.3320 9.3697 10.0846 10.1260 10.5545 10.6010 11.9030 11.9293 12.8663 12.8674 k = 0.3889 0.4769-0.0000 ( 1512 PWs) bands (ev): -5.3801 -5.3784 -5.3460 -5.3458 -4.6360 -4.6340 -4.4482 -4.4473 -4.1841 -4.1832 2.7008 2.7023 5.5738 5.5754 7.6676 7.6875 9.2761 9.3094 10.0169 10.0527 10.4745 10.5197 12.0188 12.0442 12.7755 12.7762 k = 0.3796 0.4769-0.0000 ( 1506 PWs) bands (ev): -5.3786 -5.3767 -5.3440 -5.3438 -4.6324 -4.6302 -4.4493 -4.4484 -4.1956 -4.1946 2.5901 2.5916 5.4866 5.4893 7.8501 7.8695 9.2152 9.2429 9.9477 9.9763 10.3935 10.4365 12.1481 12.1728 12.6836 12.6841 k = 0.3704 0.4769-0.0000 ( 1506 PWs) bands (ev): -5.3771 -5.3750 -5.3418 -5.3417 -4.6285 -4.6263 -4.4505 -4.4496 -4.2076 -4.2065 2.4798 2.4814 5.3979 5.4014 8.0360 8.0545 9.1514 9.1715 9.8777 9.8974 10.3125 10.3528 12.2880 12.3122 12.5924 12.5934 k = 0.3611 0.4769-0.0000 ( 1506 PWs) bands (ev): -5.3757 -5.3735 -5.3396 -5.3395 -4.6245 -4.6223 -4.4518 -4.4508 -4.2200 -4.2188 2.3704 2.3721 5.3082 5.3124 8.2232 8.2394 9.0872 9.0965 9.8082 9.8167 10.2329 10.2697 12.4171 12.4398 12.5242 12.5246 k = 0.3519 0.4769-0.0000 ( 1506 PWs) bands (ev): -5.3744 -5.3720 -5.3373 -5.3372 -4.6204 -4.6181 -4.4530 -4.4520 -4.2327 -4.2313 2.2623 2.2641 5.2181 5.2229 8.4086 8.4182 9.0194 9.0277 9.7347 9.7406 10.1565 10.1892 12.3844 12.3904 12.6277 12.6429 k = 0.3426 0.4769-0.0000 ( 1508 PWs) bands (ev): -5.3732 -5.3706 -5.3351 -5.3350 -4.6161 -4.6140 -4.4542 -4.4532 -4.2456 -4.2440 2.1559 2.1577 5.1281 5.1333 8.5748 8.5867 8.9421 8.9869 9.6519 9.6770 10.0863 10.1140 12.2957 12.2997 12.7964 12.8125 k = 0.3333 0.4769-0.0000 ( 1500 PWs) bands (ev): -5.3721 -5.3694 -5.3329 -5.3327 -4.6119 -4.6098 -4.4554 -4.4544 -4.2584 -4.2567 2.0513 2.0532 5.0385 5.0441 8.6666 8.7405 8.8743 9.0030 9.5687 9.6203 10.0274 10.0495 12.2037 12.2072 12.9772 12.9928 k = 0.3241 0.4769-0.0000 ( 1504 PWs) bands (ev): -5.3711 -5.3683 -5.3308 -5.3306 -4.6077 -4.6057 -4.4565 -4.4556 -4.2712 -4.2693 1.9487 1.9506 4.9498 4.9556 8.6646 8.7574 8.9163 9.0961 9.4855 9.5740 9.9894 10.0059 12.1118 12.1151 13.1663 13.1811 k = 0.3148 0.4769-0.0000 ( 1504 PWs) bands (ev): -5.3702 -5.3673 -5.3289 -5.3286 -4.6035 -4.6018 -4.4576 -4.4567 -4.2838 -4.2817 1.8483 1.8503 4.8621 4.8682 8.6147 8.6846 9.0025 9.2039 9.4025 9.5379 9.9893 10.0024 12.0208 12.0240 13.3626 13.3765 k = 0.3056 0.4769-0.0000 ( 1504 PWs) bands (ev): -5.3694 -5.3664 -5.3272 -5.3269 -4.5996 -4.5980 -4.4585 -4.4577 -4.2960 -4.2937 1.7503 1.7523 4.7758 4.7820 8.5495 8.6060 9.0388 9.2732 9.3204 9.5015 10.0477 10.0604 11.9311 11.9342 13.5651 13.5782 k = 0.2963 0.4769-0.0000 ( 1504 PWs) bands (ev): -5.3687 -5.3657 -5.3257 -5.3254 -4.5958 -4.5946 -4.4592 -4.4586 -4.3078 -4.3053 1.6547 1.6568 4.6909 4.6973 8.4791 8.5270 9.0295 9.2377 9.2902 9.4530 10.1704 10.1828 11.8430 11.8459 13.7734 13.7857 k = 0.2870 0.4769-0.0000 ( 1508 PWs) bands (ev): -5.3682 -5.3652 -5.3245 -5.3242 -4.5924 -4.5916 -4.4597 -4.4594 -4.3189 -4.3162 1.5617 1.5638 4.6079 4.6142 8.4070 8.4488 8.9923 9.1571 9.2655 9.3918 10.3412 10.3517 11.7568 11.7595 13.9870 13.9985 k = 0.2778 0.4769-0.0000 ( 1504 PWs) bands (ev): -5.3679 -5.3648 -5.3237 -5.3235 -4.5894 -4.5890 -4.4600 -4.4599 -4.3294 -4.3265 1.4713 1.4734 4.5266 4.5330 8.3347 8.3719 8.9403 9.0775 9.2180 9.3227 10.5412 10.5490 11.6730 11.6753 14.2055 14.2163 k = 0.2685 0.4769-0.0000 ( 1504 PWs) bands (ev): -5.3677 -5.3646 -5.3233 -5.3231 -4.5869 -4.5869 -4.4603 -4.4600 -4.3389 -4.3359 1.3835 1.3856 4.4474 4.4538 8.2630 8.2965 8.8809 8.9990 9.1586 9.2495 10.7581 10.7629 11.5920 11.5936 14.4286 14.4388 k = 0.2593 0.4769-0.0000 ( 1512 PWs) bands (ev): -5.3676 -5.3646 -5.3233 -5.3231 -4.5853 -4.5849 -4.4604 -4.4598 -4.3475 -4.3443 1.2985 1.3007 4.3703 4.3766 8.1926 8.2229 8.8178 8.9221 9.0934 9.1747 10.9845 10.9858 11.5159 11.5159 14.6560 14.6656 k = 0.2500 0.4769-0.0000 ( 1512 PWs) bands (ev): -5.3678 -5.3648 -5.3237 -5.3235 -4.5843 -4.5834 -4.4603 -4.4594 -4.3550 -4.3517 1.2163 1.2185 4.2954 4.3017 8.1236 8.1512 8.7531 8.8466 9.0256 9.0996 11.2038 11.2094 11.4497 11.4550 14.8875 14.8965 k = 0.2407 0.4769-0.0000 ( 1512 PWs) bands (ev): -5.3682 -5.3653 -5.3245 -5.3244 -4.5838 -4.5824 -4.4602 -4.4588 -4.3614 -4.3579 1.1369 1.1391 4.2228 4.2290 8.0564 8.0817 8.6881 8.7729 8.9570 9.0252 11.3066 11.3201 11.5060 11.5179 15.1228 15.1312 k = 0.2315 0.4769-0.0000 ( 1508 PWs) bands (ev): -5.3688 -5.3660 -5.3257 -5.3257 -4.5838 -4.5820 -4.4599 -4.4582 -4.3664 -4.3629 1.0604 1.0625 4.1526 4.1587 7.9912 8.0143 8.6234 8.7010 8.8886 8.9520 11.2579 11.2662 11.7338 11.7395 15.3617 15.3697 k = 0.2222 0.4769-0.0000 ( 1504 PWs) bands (ev): -5.3698 -5.3671 -5.3273 -5.3272 -4.5842 -4.5820 -4.4597 -4.4577 -4.3702 -4.3666 0.9868 0.9889 4.0849 4.0908 7.9280 7.9492 8.5597 8.6310 8.8212 8.8804 11.1920 11.1986 11.9816 11.9847 15.6041 15.6117 k = 0.2130 0.4769-0.0000 ( 1500 PWs) bands (ev): -5.3711 -5.3686 -5.3292 -5.3289 -4.5849 -4.5824 -4.4596 -4.4574 -4.3726 -4.3690 0.9160 0.9182 4.0196 4.0254 7.8670 7.8865 8.4973 8.5631 8.7554 8.8108 11.1252 11.1310 12.2352 12.2367 15.8498 15.8570 k = 0.2037 0.4769-0.0000 ( 1504 PWs) bands (ev): -5.3729 -5.3706 -5.3313 -5.3308 -4.5857 -4.5830 -4.4598 -4.4573 -4.3737 -4.3701 0.8483 0.8504 3.9570 3.9625 7.8082 7.8262 8.4365 8.4973 8.6913 8.7433 11.0598 11.0651 12.4923 12.4927 16.0986 16.1056 k = 0.1944 0.4769-0.0000 ( 1500 PWs) bands (ev): -5.3752 -5.3732 -5.3335 -5.3328 -4.5867 -4.5837 -4.4602 -4.4576 -4.3736 -4.3700 0.7834 0.7855 3.8969 3.9023 7.7519 7.7683 8.3775 8.4337 8.6294 8.6781 10.9966 11.0015 12.7515 12.7521 16.3505 16.3572 k = 0.1852 0.4769-0.0000 ( 1500 PWs) bands (ev): -5.3780 -5.3763 -5.3356 -5.3348 -4.5877 -4.5846 -4.4609 -4.4581 -4.3723 -4.3687 0.7215 0.7236 3.8394 3.8446 7.6979 7.7130 8.3204 8.3724 8.5697 8.6154 10.9357 10.9403 13.0126 13.0139 16.6053 16.6117 k = 0.1759 0.4769-0.0000 ( 1500 PWs) bands (ev): -5.3815 -5.3800 -5.3377 -5.3366 -4.5886 -4.5854 -4.4618 -4.4590 -4.3702 -4.3666 0.6626 0.6646 3.7846 3.7896 7.6464 7.6603 8.2654 8.3135 8.5125 8.5552 10.8774 10.8817 13.2754 13.2773 16.8628 16.8690 k = 0.1667 0.4769-0.0000 ( 1500 PWs) bands (ev): -5.3856 -5.3844 -5.3395 -5.3383 -4.5894 -4.5862 -4.4629 -4.4601 -4.3672 -4.3637 0.6067 0.6087 3.7325 3.7373 7.5974 7.6101 8.2127 8.2571 8.4578 8.4977 10.8217 10.8259 13.5393 13.5418 17.1230 17.1291 k = 0.1574 0.4769-0.0000 ( 1500 PWs) bands (ev): -5.3902 -5.3892 -5.3411 -5.3398 -4.5900 -4.5868 -4.4641 -4.4613 -4.3636 -4.3602 0.5538 0.5557 3.6831 3.6877 7.5509 7.5625 8.1624 8.2032 8.4058 8.4430 10.7688 10.7727 13.8040 13.8070 17.3857 17.3917 k = 0.1481 0.4769-0.0000 ( 1504 PWs) bands (ev): -5.3954 -5.3945 -5.3425 -5.3411 -4.5904 -4.5873 -4.4654 -4.4626 -4.3596 -4.3563 0.5039 0.5057 3.6365 3.6409 7.5070 7.5176 8.1144 8.1520 8.3565 8.3911 10.7187 10.7224 14.0688 14.0723 17.6508 17.6567 k = 0.1389 0.4769-0.0000 ( 1500 PWs) bands (ev): -5.4009 -5.4002 -5.3437 -5.3422 -4.5906 -4.5876 -4.4667 -4.4640 -4.3553 -4.3521 0.4570 0.4587 3.5927 3.5968 7.4657 7.4753 8.0691 8.1035 8.3100 8.3420 10.6715 10.6749 14.3333 14.3372 17.9182 17.9240 k = 0.1296 0.4769-0.0000 ( 1500 PWs) bands (ev): -5.4067 -5.4061 -5.3447 -5.3432 -4.5906 -4.5877 -4.4679 -4.4654 -4.3509 -4.3478 0.4131 0.4148 3.5516 3.5554 7.4270 7.4357 8.0263 8.0578 8.2664 8.2959 10.6271 10.6304 14.5967 14.6010 18.1877 18.1936 k = 0.1204 0.4769-0.0000 ( 1500 PWs) bands (ev): -5.4126 -5.4121 -5.3455 -5.3441 -4.5905 -4.5876 -4.4692 -4.4667 -4.3463 -4.3434 0.3722 0.3738 3.5133 3.5169 7.3909 7.3988 7.9863 8.0149 8.2257 8.2528 10.5856 10.5887 14.8582 14.8629 18.4591 18.4651 k = 0.1111 0.4769-0.0000 ( 1496 PWs) bands (ev): -5.4186 -5.4182 -5.3462 -5.3448 -4.5901 -4.5874 -4.4703 -4.4680 -4.3418 -4.3390 0.3344 0.3359 3.4778 3.4812 7.3574 7.3645 7.9490 7.9749 8.1880 8.2127 10.5472 10.5500 15.1170 15.1219 18.7323 18.7384 k = 0.1019 0.4769-0.0000 ( 1498 PWs) bands (ev): -5.4245 -5.4242 -5.3468 -5.3454 -4.5897 -4.5871 -4.4714 -4.4692 -4.3374 -4.3348 0.2995 0.3009 3.4451 3.4482 7.3267 7.3330 7.9146 7.9378 8.1532 8.1756 10.5117 10.5143 15.3719 15.3771 19.0070 19.0133 k = 0.0926 0.4769-0.0000 ( 1502 PWs) bands (ev): -5.4302 -5.4299 -5.3473 -5.3460 -4.5891 -4.5867 -4.4724 -4.4704 -4.3332 -4.3307 0.2677 0.2690 3.4153 3.4181 7.2985 7.3041 7.8830 7.9038 8.1215 8.1416 10.4792 10.4816 15.6215 15.6268 19.2829 19.2896 k = 0.0833 0.4769-0.0000 ( 1506 PWs) bands (ev): -5.4357 -5.4355 -5.3477 -5.3465 -4.5884 -4.5863 -4.4733 -4.4714 -4.3292 -4.3269 0.2390 0.2401 3.3883 3.3908 7.2731 7.2780 7.8544 7.8727 8.0927 8.1107 10.4498 10.4519 15.8641 15.8696 19.5597 19.5669 k = 0.0741 0.4769-0.0000 ( 1510 PWs) bands (ev): -5.4408 -5.4406 -5.3481 -5.3470 -4.5877 -4.5858 -4.4741 -4.4724 -4.3254 -4.3234 0.2132 0.2143 3.3641 3.3664 7.2503 7.2546 7.8287 7.8448 8.0671 8.0829 10.4234 10.4253 16.0976 16.1032 19.8369 19.8449 k = 0.0648 0.4769-0.0000 ( 1510 PWs) bands (ev): -5.4455 -5.4453 -5.3484 -5.3474 -4.5870 -4.5853 -4.4747 -4.4733 -4.3221 -4.3203 0.1905 0.1914 3.3428 3.3448 7.2302 7.2339 7.8060 7.8199 8.0445 8.0583 10.4001 10.4018 16.3195 16.3250 20.1138 20.1228 k = 0.0556 0.4769-0.0000 ( 1510 PWs) bands (ev): -5.4497 -5.4495 -5.3486 -5.3477 -4.5863 -4.5848 -4.4753 -4.4740 -4.3190 -4.3175 0.1708 0.1717 3.3243 3.3260 7.2128 7.2159 7.7865 7.7982 8.0250 8.0368 10.3799 10.3813 16.5266 16.5318 20.3895 20.3998 k = 0.0463 0.4769-0.0000 ( 1512 PWs) bands (ev): -5.4533 -5.4532 -5.3488 -5.3480 -4.5856 -4.5844 -4.4758 -4.4747 -4.3164 -4.3151 0.1542 0.1549 3.3087 3.3101 7.1981 7.2007 7.7700 7.7797 8.0087 8.0184 10.3628 10.3640 16.7149 16.7197 20.6623 20.6747 k = 0.0370 0.4769-0.0000 ( 1512 PWs) bands (ev): -5.4564 -5.4563 -5.3489 -5.3483 -4.5850 -4.5840 -4.4761 -4.4753 -4.3142 -4.3131 0.1406 0.1412 3.2959 3.2971 7.1861 7.1881 7.7566 7.7643 7.9954 8.0032 10.3488 10.3497 16.8799 16.8842 20.9299 20.9452 k = 0.0278 0.4769-0.0000 ( 1524 PWs) bands (ev): -5.4588 -5.4587 -5.3490 -5.3485 -4.5845 -4.5838 -4.4764 -4.4757 -4.3124 -4.3116 0.1300 0.1305 3.2861 3.2869 7.1769 7.1783 7.7464 7.7521 7.9854 7.9911 10.3379 10.3386 17.0165 17.0200 21.1871 21.2067 k = 0.0185 0.4769-0.0000 ( 1524 PWs) bands (ev): -5.4605 -5.4605 -5.3490 -5.3487 -4.5841 -4.5836 -4.4765 -4.4761 -4.3111 -4.3105 0.1225 0.1228 3.2790 3.2796 7.1703 7.1713 7.7394 7.7432 7.9784 7.9822 10.3302 10.3307 17.1193 17.1218 21.4232 21.4470 k = 0.0093 0.4769-0.0000 ( 1520 PWs) bands (ev): -5.4616 -5.4615 -5.3490 -5.3488 -4.5838 -4.5835 -4.4766 -4.4764 -4.3102 -4.3100 0.1180 0.1182 3.2749 3.2752 7.1665 7.1670 7.7355 7.7374 7.9746 7.9765 10.3256 10.3258 17.1836 17.1849 21.5449 21.5522 k = 0.0000 0.4769-0.0000 ( 1512 PWs) bands (ev): -5.4619 -5.4619 -5.3489 -5.3489 -4.5836 -4.5836 -4.4765 -4.4765 -4.3098 -4.3098 0.1166 0.1166 3.2736 3.2736 7.1653 7.1653 7.7349 7.7349 7.9740 7.9740 10.3241 10.3241 17.2059 17.2059 21.5331 21.5331 k = 0.0000 0.4769-0.0000 ( 1512 PWs) bands (ev): -5.4619 -5.4619 -5.3489 -5.3489 -4.5836 -4.5836 -4.4765 -4.4765 -4.3098 -4.3098 0.1166 0.1166 3.2736 3.2736 7.1653 7.1653 7.7349 7.7349 7.9740 7.9740 10.3241 10.3241 17.2059 17.2059 21.5331 21.5331 k = 0.0000 0.4677-0.0000 ( 1522 PWs) bands (ev): -5.4619 -5.4619 -5.3489 -5.3489 -4.5835 -4.5835 -4.4767 -4.4767 -4.3099 -4.3099 0.1098 0.1098 3.2822 3.2822 7.1311 7.1311 7.7502 7.7502 7.9883 7.9883 10.3359 10.3359 17.2020 17.2020 21.5203 21.5203 k = 0.0000 0.4585-0.0000 ( 1520 PWs) bands (ev): -5.4620 -5.4620 -5.3488 -5.3488 -4.5833 -4.5833 -4.4772 -4.4772 -4.3101 -4.3101 0.0899 0.0899 3.3077 3.3077 7.0459 7.0459 7.7649 7.7649 8.0456 8.0456 10.3707 10.3707 17.1903 17.1903 21.4840 21.4840 k = 0.0000 0.4493-0.0000 ( 1518 PWs) bands (ev): -5.4622 -5.4622 -5.3487 -5.3487 -4.5829 -4.5829 -4.4779 -4.4779 -4.3105 -4.3105 0.0574 0.0574 3.3493 3.3493 6.9361 6.9361 7.7466 7.7466 8.1537 8.1537 10.4271 10.4271 17.1711 17.1711 21.4292 21.4292 k = 0.0000 0.4402-0.0000 ( 1518 PWs) bands (ev): -5.4624 -5.4624 -5.3485 -5.3485 -4.5824 -4.5824 -4.4791 -4.4791 -4.3110 -4.3110 0.0134 0.0134 3.4055 3.4055 6.8172 6.8172 7.7002 7.7002 8.2944 8.2944 10.5028 10.5028 17.1446 17.1446 21.3616 21.3616 k = 0.0000 0.4310-0.0000 ( 1514 PWs) bands (ev): -5.4626 -5.4626 -5.3483 -5.3483 -4.5818 -4.5818 -4.4805 -4.4805 -4.3115 -4.3115 -0.0407 -0.0407 3.4747 3.4747 6.6967 6.6967 7.6356 7.6356 8.4531 8.4531 10.5957 10.5957 17.1113 17.1113 21.2854 21.2854 k = 0.0000 0.4218-0.0000 ( 1518 PWs) bands (ev): -5.4629 -5.4629 -5.3480 -5.3480 -4.5810 -4.5810 -4.4822 -4.4822 -4.3122 -4.3122 -0.1036 -0.1036 3.5548 3.5548 6.5786 6.5786 7.5585 7.5585 8.6230 8.6230 10.7032 10.7032 17.0715 17.0715 21.2039 21.2039 k = 0.0000 0.4127-0.0000 ( 1514 PWs) bands (ev): -5.4633 -5.4633 -5.3477 -5.3477 -4.5800 -4.5800 -4.4842 -4.4842 -4.3129 -4.3129 -0.1737 -0.1737 3.6435 3.6435 6.4656 6.4656 7.4725 7.4725 8.8008 8.8008 10.8233 10.8233 17.0259 17.0259 21.1192 21.1192 k = 0.0000 0.4035-0.0000 ( 1518 PWs) bands (ev): -5.4638 -5.4638 -5.3474 -5.3474 -4.5790 -4.5790 -4.4866 -4.4866 -4.3137 -4.3137 -0.2499 -0.2499 3.7383 3.7383 6.3599 6.3599 7.3800 7.3800 8.9850 8.9850 10.9540 10.9540 16.9750 16.9750 21.0327 21.0327 k = 0.0000 0.3943-0.0000 ( 1514 PWs) bands (ev): -5.4643 -5.4643 -5.3471 -5.3471 -4.5779 -4.5779 -4.4892 -4.4892 -4.3144 -4.3144 -0.3307 -0.3307 3.8365 3.8365 6.2635 6.2635 7.2830 7.2830 9.1745 9.1745 11.0938 11.0938 16.9194 16.9194 20.9456 20.9456 k = 0.0000 0.3851-0.0000 ( 1518 PWs) bands (ev): -5.4649 -5.4649 -5.3469 -5.3469 -4.5766 -4.5766 -4.4921 -4.4921 -4.3151 -4.3151 -0.4153 -0.4153 3.9347 3.9347 6.1789 6.1789 7.1829 7.1829 9.3687 9.3687 11.2414 11.2414 16.8597 16.8597 20.8584 20.8584 k = 0.0000 0.3760-0.0000 ( 1518 PWs) bands (ev): -5.4655 -5.4655 -5.3467 -5.3467 -4.5753 -4.5753 -4.4953 -4.4953 -4.3158 -4.3158 -0.5025 -0.5025 4.0295 4.0295 6.1091 6.1091 7.0809 7.0809 9.5672 9.5672 11.3958 11.3958 16.7965 16.7965 20.7716 20.7716 k = 0.0000 0.3668-0.0000 ( 1522 PWs) bands (ev): -5.4663 -5.4663 -5.3466 -5.3466 -4.5739 -4.5739 -4.4987 -4.4987 -4.3164 -4.3164 -0.5916 -0.5916 4.1164 4.1164 6.0572 6.0572 6.9783 6.9783 9.7697 9.7697 11.5560 11.5560 16.7303 16.7303 20.6856 20.6856 k = 0.0000 0.3576-0.0000 ( 1526 PWs) bands (ev): -5.4671 -5.4671 -5.3465 -5.3465 -4.5725 -4.5725 -4.5023 -4.5023 -4.3169 -4.3169 -0.6819 -0.6819 4.1912 4.1912 6.0270 6.0270 6.8759 6.8759 9.9759 9.9759 11.7213 11.7213 16.6617 16.6617 20.6003 20.6003 k = 0.0000 0.3485-0.0000 ( 1526 PWs) bands (ev): -5.4680 -5.4680 -5.3466 -5.3466 -4.5710 -4.5710 -4.5061 -4.5061 -4.3172 -4.3172 -0.7727 -0.7727 4.2494 4.2494 6.0215 6.0215 6.7751 6.7751 10.1856 10.1856 11.8911 11.8911 16.5911 16.5911 20.5158 20.5158 k = 0.0000 0.3393-0.0000 ( 1522 PWs) bands (ev): -5.4691 -5.4691 -5.3467 -5.3467 -4.5696 -4.5696 -4.5100 -4.5100 -4.3174 -4.3174 -0.8636 -0.8636 4.2879 4.2879 6.0422 6.0422 6.6776 6.6776 10.3987 10.3987 12.0650 12.0650 16.5191 16.5191 20.4313 20.4313 k = 0.0000 0.3301-0.0000 ( 1522 PWs) bands (ev): -5.4702 -5.4702 -5.3471 -5.3471 -4.5681 -4.5681 -4.5140 -4.5140 -4.3174 -4.3174 -0.9542 -0.9542 4.3053 4.3053 6.0866 6.0866 6.5872 6.5872 10.6150 10.6150 12.2423 12.2423 16.4460 16.4460 20.3450 20.3450 k = 0.0000 0.3210-0.0000 ( 1522 PWs) bands (ev): -5.4714 -5.4714 -5.3476 -5.3476 -4.5667 -4.5667 -4.5180 -4.5180 -4.3172 -4.3172 -1.0440 -1.0440 4.3026 4.3026 6.1434 6.1434 6.5142 6.5142 10.8344 10.8344 12.4228 12.4228 16.3723 16.3723 20.2538 20.2538 k = 0.0000 0.3118-0.0000 ( 1518 PWs) bands (ev): -5.4727 -5.4727 -5.3483 -5.3483 -4.5654 -4.5654 -4.5219 -4.5219 -4.3169 -4.3169 -1.1328 -1.1328 4.2825 4.2825 6.1794 6.1794 6.4890 6.4890 11.0567 11.0567 12.6060 12.6060 16.2983 16.2983 20.1574 20.1574 k = 0.0000 0.3026-0.0000 ( 1516 PWs) bands (ev): -5.4741 -5.4741 -5.3491 -5.3491 -4.5642 -4.5642 -4.5258 -4.5258 -4.3163 -4.3163 -1.2203 -1.2203 4.2485 4.2485 6.1545 6.1545 6.5482 6.5482 11.2818 11.2818 12.7916 12.7916 16.2245 16.2245 20.0599 20.0599 k = 0.0000 0.2934-0.0000 ( 1516 PWs) bands (ev): -5.4757 -5.4757 -5.3503 -5.3503 -4.5632 -4.5632 -4.5294 -4.5294 -4.3155 -4.3155 -1.3063 -1.3063 4.2041 4.2041 6.0871 6.0871 6.6699 6.6699 11.5096 11.5096 12.9792 12.9792 16.1512 16.1512 19.9641 19.9641 k = 0.0000 0.2843-0.0000 ( 1516 PWs) bands (ev): -5.4774 -5.4774 -5.3516 -5.3516 -4.5625 -4.5625 -4.5328 -4.5328 -4.3145 -4.3145 -1.3906 -1.3906 4.1521 4.1521 6.0051 6.0051 6.8233 6.8233 11.7398 11.7398 13.1685 13.1685 16.0786 16.0786 19.8715 19.8715 k = 0.0000 0.2751-0.0000 ( 1512 PWs) bands (ev): -5.4792 -5.4792 -5.3532 -5.3532 -4.5622 -4.5622 -4.5356 -4.5356 -4.3133 -4.3133 -1.4730 -1.4730 4.0952 4.0952 5.9186 5.9186 6.9953 6.9953 11.9725 11.9725 13.3592 13.3592 16.0071 16.0071 19.7828 19.7828 k = 0.0000 0.2659-0.0000 ( 1510 PWs) bands (ev): -5.4811 -5.4811 -5.3550 -5.3550 -4.5624 -4.5624 -4.5379 -4.5379 -4.3118 -4.3118 -1.5534 -1.5534 4.0350 4.0350 5.8315 5.8315 7.1806 7.1806 12.2072 12.2072 13.5507 13.5507 15.9370 15.9370 19.6986 19.6986 k = 0.0000 0.2568-0.0000 ( 1512 PWs) bands (ev): -5.4831 -5.4831 -5.3570 -5.3570 -4.5631 -4.5631 -4.5395 -4.5395 -4.3102 -4.3102 -1.6316 -1.6316 3.9732 3.9732 5.7451 5.7451 7.3760 7.3760 12.4439 12.4439 13.7426 13.7426 15.8688 15.8688 19.6192 19.6192 k = 0.0000 0.2476-0.0000 ( 1512 PWs) bands (ev): -5.4853 -5.4853 -5.3593 -5.3593 -4.5643 -4.5643 -4.5405 -4.5405 -4.3084 -4.3084 -1.7076 -1.7076 3.9106 3.9106 5.6602 5.6602 7.5798 7.5798 12.6823 12.6823 13.9344 13.9344 15.8028 15.8028 19.5453 19.5453 k = 0.0000 0.2384-0.0000 ( 1514 PWs) bands (ev): -5.4876 -5.4876 -5.3618 -5.3618 -4.5659 -4.5659 -4.5409 -4.5409 -4.3064 -4.3064 -1.7812 -1.7812 3.8481 3.8481 5.5774 5.5774 7.7905 7.7905 12.9221 12.9221 14.1254 14.1254 15.7394 15.7394 19.4772 19.4772 k = 0.0000 0.2293-0.0000 ( 1514 PWs) bands (ev): -5.4901 -5.4901 -5.3645 -5.3645 -4.5677 -4.5677 -4.5409 -4.5409 -4.3042 -4.3042 -1.8525 -1.8525 3.7863 3.7863 5.4967 5.4967 8.0071 8.0071 13.1630 13.1630 14.3147 14.3147 15.6795 15.6795 19.4155 19.4155 k = 0.0000 0.2201-0.0000 ( 1516 PWs) bands (ev): -5.4927 -5.4927 -5.3674 -5.3674 -4.5696 -4.5696 -4.5406 -4.5406 -4.3018 -4.3018 -1.9212 -1.9212 3.7257 3.7257 5.4184 5.4184 8.2289 8.2289 13.4043 13.4043 14.5010 14.5010 15.6242 15.6242 19.3608 19.3608 k = 0.0000 0.2109-0.0000 ( 1516 PWs) bands (ev): -5.4954 -5.4954 -5.3704 -5.3704 -4.5714 -4.5714 -4.5402 -4.5402 -4.2994 -4.2994 -1.9873 -1.9873 3.6666 3.6666 5.3428 5.3428 8.4553 8.4553 13.6454 13.6454 14.6823 14.6823 15.5752 15.5752 19.3138 19.3138 k = 0.0000 0.2017-0.0000 ( 1512 PWs) bands (ev): -5.4983 -5.4983 -5.3736 -5.3736 -4.5731 -4.5731 -4.5397 -4.5397 -4.2968 -4.2968 -2.0509 -2.0509 3.6092 3.6092 5.2698 5.2698 8.6857 8.6857 13.8854 13.8854 14.8549 14.8549 15.5364 15.5364 19.2754 19.2754 k = 0.0000 0.1926-0.0000 ( 1512 PWs) bands (ev): -5.5013 -5.5013 -5.3769 -5.3769 -4.5746 -4.5746 -4.5391 -4.5391 -4.2941 -4.2941 -2.1118 -2.1118 3.5539 3.5539 5.1996 5.1996 8.9197 8.9197 14.1222 14.1222 15.0115 15.0115 15.5159 15.5159 19.2463 19.2463 k = 0.0000 0.1834-0.0000 ( 1502 PWs) bands (ev): -5.5045 -5.5045 -5.3802 -5.3802 -4.5759 -4.5759 -4.5386 -4.5386 -4.2913 -4.2913 -2.1701 -2.1701 3.5007 3.5007 5.1322 5.1322 9.1569 9.1569 14.3528 14.3528 15.1365 15.1365 15.5310 15.5310 19.2276 19.2276 k = 0.0000 0.1742-0.0000 ( 1504 PWs) bands (ev): -5.5077 -5.5077 -5.3836 -5.3836 -4.5770 -4.5770 -4.5380 -4.5380 -4.2885 -4.2885 -2.2256 -2.2256 3.4498 3.4498 5.0678 5.0678 9.3967 9.3967 14.5702 14.5702 15.2156 15.2156 15.6016 15.6016 19.2204 19.2204 k = 0.0000 0.1651-0.0000 ( 1496 PWs) bands (ev): -5.5111 -5.5111 -5.3869 -5.3869 -4.5779 -4.5779 -4.5375 -4.5375 -4.2856 -4.2856 -2.2784 -2.2784 3.4012 3.4012 5.0064 5.0064 9.6389 9.6389 14.7579 14.7579 15.2720 15.2720 15.7191 15.7191 19.2252 19.2252 k = 0.0000 0.1559-0.0000 ( 1496 PWs) bands (ev): -5.5145 -5.5145 -5.3902 -5.3902 -4.5786 -4.5786 -4.5370 -4.5370 -4.2827 -4.2827 -2.3284 -2.3284 3.3551 3.3551 4.9480 4.9480 9.8830 9.8830 14.8857 14.8857 15.3602 15.3602 15.8572 15.8572 19.1968 19.1968 k = 0.0000 0.1467-0.0000 ( 1498 PWs) bands (ev): -5.5180 -5.5180 -5.3935 -5.3935 -4.5790 -4.5790 -4.5366 -4.5366 -4.2799 -4.2799 -2.3756 -2.3756 3.3115 3.3115 4.8927 4.8927 10.1285 10.1285 14.9395 14.9395 15.5071 15.5071 16.0010 16.0010 19.1462 19.1462 k = 0.0000 0.1376-0.0000 ( 1498 PWs) bands (ev): -5.5216 -5.5216 -5.3966 -5.3966 -4.5793 -4.5793 -4.5362 -4.5362 -4.2771 -4.2771 -2.4200 -2.4200 3.2704 3.2704 4.8405 4.8405 10.3750 10.3750 14.9465 14.9465 15.6882 15.6882 16.1454 16.1454 19.0932 19.0932 k = 0.0000 0.1284-0.0000 ( 1502 PWs) bands (ev): -5.5252 -5.5252 -5.3997 -5.3997 -4.5794 -4.5794 -4.5359 -4.5359 -4.2743 -4.2743 -2.4615 -2.4615 3.2319 3.2319 4.7915 4.7915 10.6218 10.6218 14.9335 14.9335 15.8743 15.8743 16.2905 16.2905 19.0364 19.0364 k = 0.0000 0.1192-0.0000 ( 1506 PWs) bands (ev): -5.5287 -5.5287 -5.4025 -5.4025 -4.5794 -4.5794 -4.5356 -4.5356 -4.2716 -4.2716 -2.5003 -2.5003 3.1960 3.1960 4.7457 4.7457 10.8684 10.8684 14.9125 14.9125 16.0474 16.0474 16.4392 16.4392 18.9738 18.9738 k = 0.0000 0.1100-0.0000 ( 1504 PWs) bands (ev): -5.5322 -5.5322 -5.4052 -5.4052 -4.5792 -4.5792 -4.5353 -4.5353 -4.2690 -4.2690 -2.5362 -2.5362 3.1628 3.1628 4.7032 4.7032 11.1138 11.1138 14.8888 14.8888 16.1963 16.1963 16.5941 16.5941 18.9033 18.9033 k = 0.0000 0.1009-0.0000 ( 1504 PWs) bands (ev): -5.5356 -5.5356 -5.4077 -5.4077 -4.5790 -4.5790 -4.5351 -4.5351 -4.2666 -4.2666 -2.5692 -2.5692 3.1322 3.1322 4.6640 4.6640 11.3571 11.3571 14.8648 14.8648 16.3171 16.3171 16.7523 16.7523 18.8237 18.8237 k = 0.0000 0.0917-0.0000 ( 1508 PWs) bands (ev): -5.5388 -5.5388 -5.4101 -5.4101 -4.5787 -4.5787 -4.5349 -4.5349 -4.2643 -4.2643 -2.5994 -2.5994 3.1042 3.1042 4.6281 4.6281 11.5972 11.5972 14.8419 14.8419 16.4124 16.4124 16.9035 16.9035 18.7365 18.7365 k = 0.0000 0.0825-0.0000 ( 1507 PWs) bands (ev): -5.5419 -5.5419 -5.4122 -5.4122 -4.5783 -4.5783 -4.5347 -4.5347 -4.2621 -4.2621 -2.6267 -2.6267 3.0789 3.0789 4.5955 4.5955 11.8323 11.8323 14.8210 14.8210 16.4869 16.4869 17.0335 17.0335 18.6495 18.6495 k = 0.0000 0.0734-0.0000 ( 1501 PWs) bands (ev): -5.5448 -5.5448 -5.4141 -5.4141 -4.5779 -4.5779 -4.5345 -4.5345 -4.2601 -4.2601 -2.6511 -2.6511 3.0562 3.0562 4.5663 4.5663 12.0606 12.0606 14.8025 14.8025 16.5447 16.5447 17.1258 17.1258 18.5767 18.5767 k = 0.0000 0.0642-0.0000 ( 1505 PWs) bands (ev): -5.5474 -5.5474 -5.4158 -5.4158 -4.5775 -4.5775 -4.5344 -4.5344 -4.2583 -4.2583 -2.6727 -2.6727 3.0362 3.0362 4.5404 4.5404 12.2795 12.2795 14.7870 14.7870 16.5886 16.5886 17.1666 17.1666 18.5338 18.5338 k = 0.0000 0.0550-0.0000 ( 1505 PWs) bands (ev): -5.5497 -5.5497 -5.4172 -5.4172 -4.5771 -4.5771 -4.5343 -4.5343 -4.2568 -4.2568 -2.6914 -2.6914 3.0189 3.0189 4.5180 4.5180 12.4858 12.4858 14.7747 14.7747 16.6202 16.6202 17.1525 17.1525 18.5280 18.5280 k = 0.0000 0.0459-0.0000 ( 1505 PWs) bands (ev): -5.5518 -5.5518 -5.4185 -5.4185 -4.5768 -4.5768 -4.5342 -4.5342 -4.2554 -4.2554 -2.7072 -2.7072 3.0042 3.0042 4.4990 4.4990 12.6754 12.6754 14.7658 14.7658 16.6402 16.6402 17.0958 17.0958 18.5518 18.5518 k = 0.0000 0.0367-0.0000 ( 1505 PWs) bands (ev): -5.5535 -5.5535 -5.4195 -5.4195 -4.5765 -4.5765 -4.5342 -4.5342 -4.2543 -4.2543 -2.7201 -2.7201 2.9923 2.9923 4.4834 4.4834 12.8433 12.8433 14.7603 14.7603 16.6476 16.6476 17.0194 17.0194 18.5897 18.5897 k = 0.0000 0.0275-0.0000 ( 1501 PWs) bands (ev): -5.5549 -5.5549 -5.4203 -5.4203 -4.5762 -4.5762 -4.5341 -4.5341 -4.2534 -4.2534 -2.7302 -2.7302 2.9829 2.9829 4.4713 4.4713 12.9836 12.9836 14.7578 14.7578 16.6409 16.6409 16.9471 16.9471 18.6277 18.6277 k = 0.0000 0.0183-0.0000 ( 1499 PWs) bands (ev): -5.5558 -5.5558 -5.4208 -5.4208 -4.5760 -4.5760 -4.5341 -4.5341 -4.2527 -4.2527 -2.7374 -2.7374 2.9763 2.9763 4.4627 4.4627 13.0900 13.0900 14.7575 14.7575 16.6215 16.6215 16.8957 16.8957 18.6576 18.6576 k = 0.0000 0.0092-0.0000 ( 1499 PWs) bands (ev): -5.5564 -5.5564 -5.4212 -5.4212 -4.5759 -4.5759 -4.5341 -4.5341 -4.2524 -4.2524 -2.7417 -2.7417 2.9723 2.9723 4.4575 4.4575 13.1567 13.1567 14.7582 14.7582 16.6000 16.6000 16.8686 16.8686 18.6760 18.6760 k = 0.0000 0.0000 0.0000 ( 1493 PWs) bands (ev): -5.5566 -5.5566 -5.4213 -5.4213 -4.5758 -4.5758 -4.5341 -4.5341 -4.2522 -4.2522 -2.7432 -2.7432 2.9709 2.9709 4.4557 4.4557 13.1794 13.1794 14.7586 14.7586 16.5908 16.5908 16.8607 16.8607 18.6822 18.6822 k = 0.0000 0.0000 0.0000 ( 1493 PWs) bands (ev): -5.5566 -5.5566 -5.4213 -5.4213 -4.5758 -4.5758 -4.5341 -4.5341 -4.2522 -4.2522 -2.7432 -2.7432 2.9709 2.9709 4.4557 4.4557 13.1794 13.1794 14.7586 14.7586 16.5908 16.5908 16.8607 16.8607 18.6822 18.6822 k = 0.0000 0.0000 0.0093 ( 1497 PWs) bands (ev): -5.5566 -5.5566 -5.4215 -5.4209 -4.5763 -4.5753 -4.5340 -4.5340 -4.2523 -4.2522 -2.7426 -2.7423 2.9519 2.9533 4.4772 4.4790 13.1777 13.1821 14.7579 14.7605 16.5729 16.5916 16.8413 16.8500 18.6754 18.6929 k = 0.0000 0.0000 0.0186 ( 1507 PWs) bands (ev): -5.5566 -5.5566 -5.4217 -5.4204 -4.5768 -4.5747 -4.5340 -4.5340 -4.2523 -4.2522 -2.7408 -2.7402 2.8992 2.9019 4.5404 4.5437 13.1769 13.1858 14.7585 14.7638 16.5309 16.5714 16.7972 16.8189 18.6726 18.7055 k = 0.0000 0.0000 0.0279 ( 1509 PWs) bands (ev): -5.5566 -5.5565 -5.4217 -5.4197 -4.5771 -4.5740 -4.5338 -4.5338 -4.2523 -4.2522 -2.7377 -2.7367 2.8204 2.8239 4.6382 4.6427 13.1770 13.1905 14.7601 14.7684 16.4519 16.5119 16.7508 16.7858 18.6722 18.7169 k = 0.0000 0.0000 0.0372 ( 1513 PWs) bands (ev): -5.5566 -5.5565 -5.4215 -5.4189 -4.5774 -4.5734 -4.5337 -4.5336 -4.2524 -4.2522 -2.7332 -2.7320 2.7234 2.7274 4.7625 4.7679 13.1778 13.1962 14.7625 14.7742 16.3296 16.3978 16.7240 16.7632 18.6713 18.7237 k = 0.0000 0.0000 0.0465 ( 1509 PWs) bands (ev): -5.5566 -5.5564 -5.4212 -5.4180 -4.5776 -4.5727 -4.5334 -4.5334 -4.2524 -4.2522 -2.7275 -2.7260 2.6148 2.6192 4.9066 4.9127 13.1793 13.2029 14.7652 14.7808 16.1704 16.2386 16.7141 16.7519 18.6672 18.7233 k = 0.0000 0.0000 0.0558 ( 1509 PWs) bands (ev): -5.5565 -5.5563 -5.4207 -5.4170 -4.5777 -4.5720 -4.5332 -4.5330 -4.2525 -4.2522 -2.7205 -2.7188 2.4994 2.5040 5.0657 5.0724 13.1814 13.2105 14.7671 14.7879 15.9844 16.0495 16.7127 16.7483 18.6574 18.7133 k = 0.0000 0.0000 0.0651 ( 1503 PWs) bands (ev): -5.5565 -5.5563 -5.4201 -5.4159 -4.5777 -4.5713 -4.5328 -4.5327 -4.2525 -4.2522 -2.7124 -2.7104 2.3807 2.3854 5.2365 5.2435 13.1836 13.2190 14.7666 14.7947 15.7807 15.8407 16.7158 16.7496 18.6401 18.6926 k = 0.0000 0.0000 0.0744 ( 1503 PWs) bands (ev): -5.5564 -5.5562 -5.4194 -5.4148 -4.5777 -4.5706 -4.5325 -4.5322 -4.2526 -4.2522 -2.7031 -2.7009 2.2610 2.2656 5.4165 5.4239 13.1859 13.2283 14.7600 14.7991 15.5685 15.6203 16.7218 16.7543 18.6141 18.6606 k = 0.0000 0.0000 0.0837 ( 1501 PWs) bands (ev): -5.5564 -5.5561 -5.4186 -5.4136 -4.5775 -4.5699 -4.5321 -4.5317 -4.2527 -4.2523 -2.6928 -2.6904 2.1419 2.1465 5.6042 5.6119 13.1876 13.2383 14.7384 14.7967 15.3605 15.3972 16.7298 16.7617 18.5789 18.6174 k = 0.0000 0.0000 0.0930 ( 1499 PWs) bands (ev): -5.5563 -5.5560 -5.4177 -5.4123 -4.5773 -4.5693 -4.5316 -4.5312 -4.2527 -4.2523 -2.6815 -2.6790 2.0246 2.0291 5.7984 5.8064 13.1883 13.2489 14.6806 14.7730 15.1808 15.1895 16.7396 16.7713 18.5345 18.5641 k = 0.0000 0.0000 0.1023 ( 1500 PWs) bands (ev): -5.5562 -5.5559 -5.4167 -5.4110 -4.5770 -4.5688 -4.5312 -4.5306 -4.2528 -4.2523 -2.6693 -2.6667 1.9101 1.9144 5.9983 6.0066 13.1867 13.2600 14.5544 14.6865 15.0416 15.0637 16.7510 16.7829 18.4819 18.5023 k = 0.0000 0.0000 0.1116 ( 1500 PWs) bands (ev): -5.5562 -5.5559 -5.4156 -5.4098 -4.5767 -4.5683 -4.5307 -4.5299 -4.2528 -4.2524 -2.6563 -2.6536 1.7990 1.8032 6.2033 6.2118 13.1814 13.2715 14.3590 14.5102 14.9838 15.0118 16.7640 16.7963 18.4223 18.4338 k = 0.0000 0.0000 0.1209 ( 1500 PWs) bands (ev): -5.5561 -5.5558 -5.4144 -5.4085 -4.5763 -4.5678 -4.5301 -4.5293 -4.2529 -4.2524 -2.6427 -2.6400 1.6919 1.6959 6.4129 6.4216 13.1691 13.2830 14.1249 14.2912 14.9731 14.9958 16.7786 16.8115 18.3570 18.3603 k = 0.0000 0.0000 0.1302 ( 1502 PWs) bands (ev): -5.5560 -5.5557 -5.4132 -5.4072 -4.5758 -4.5674 -4.5296 -4.5286 -4.2530 -4.2525 -2.6286 -2.6259 1.5894 1.5931 6.6267 6.6357 13.1443 13.2942 13.8734 14.0669 14.9787 14.9959 16.7948 16.8284 18.2836 18.2875 k = 0.0000 0.0000 0.1395 ( 1502 PWs) bands (ev): -5.5559 -5.5556 -5.4119 -5.4060 -4.5753 -4.5671 -4.5290 -4.5279 -4.2530 -4.2525 -2.6142 -2.6114 1.4918 1.4953 6.8443 6.8535 13.0960 13.3035 13.6149 13.8587 14.9908 15.0037 16.8125 16.8470 18.2050 18.2152 k = 0.0000 0.0000 0.1488 ( 1502 PWs) bands (ev): -5.5558 -5.5555 -5.4107 -5.4049 -4.5748 -4.5669 -4.5284 -4.5272 -4.2531 -4.2526 -2.5995 -2.5969 1.3995 1.4028 7.0654 7.0749 13.0062 13.2858 13.3787 13.6883 15.0058 15.0154 16.8320 16.8674 18.1255 18.1412 k = 0.0000 0.0000 0.1581 ( 1498 PWs) bands (ev): -5.5558 -5.5555 -5.4094 -5.4038 -4.5742 -4.5667 -4.5279 -4.5265 -4.2531 -4.2526 -2.5849 -2.5823 1.3130 1.3161 7.2898 7.2995 12.8602 13.0654 13.3426 13.5724 15.0223 15.0294 16.8532 16.8895 18.0463 18.0667 k = 0.0000 0.0000 0.1674 ( 1496 PWs) bands (ev): -5.5557 -5.5554 -5.4081 -5.4028 -4.5737 -4.5665 -4.5273 -4.5259 -4.2531 -4.2527 -2.5705 -2.5680 1.2326 1.2354 7.5170 7.5271 12.6641 12.7997 13.3506 13.5060 15.0392 15.0444 16.8762 16.9134 17.9680 17.9924 k = 0.0000 0.0000 0.1767 ( 1498 PWs) bands (ev): -5.5556 -5.5554 -5.4069 -5.4018 -4.5731 -4.5665 -4.5267 -4.5253 -4.2532 -4.2527 -2.5565 -2.5542 1.1585 1.1611 7.7468 7.7572 12.4371 12.5316 13.3608 13.4707 15.0560 15.0597 16.9011 16.9391 17.8914 17.9191 k = 0.0000 0.0000 0.1860 ( 1500 PWs) bands (ev): -5.5555 -5.5553 -5.4057 -5.4010 -4.5725 -4.5665 -4.5261 -4.5248 -4.2532 -4.2528 -2.5432 -2.5410 1.0912 1.0935 7.9787 7.9894 12.1944 12.2639 13.3711 13.4521 15.0723 15.0748 16.9278 16.9664 17.8170 17.8475 k = 0.0000 0.0000 0.1953 ( 1504 PWs) bands (ev): -5.5555 -5.5553 -5.4046 -5.4004 -4.5719 -4.5665 -4.5256 -4.5243 -4.2532 -4.2529 -2.5307 -2.5288 1.0310 1.0330 8.2120 8.2231 11.9446 11.9981 13.3810 13.4422 15.0876 15.0892 16.9563 16.9954 17.7455 17.7781 k = 0.0000 0.0000 0.2046 ( 1498 PWs) bands (ev): -5.5554 -5.5552 -5.4035 -5.3998 -4.5713 -4.5666 -4.5251 -4.5239 -4.2532 -4.2529 -2.5193 -2.5176 0.9781 0.9799 8.4460 8.4574 11.6928 11.7354 13.3902 13.4370 15.1017 15.1026 16.9867 17.0258 17.6775 17.7115 k = 0.0000 0.0000 0.2139 ( 1494 PWs) bands (ev): -5.5554 -5.5552 -5.4025 -5.3994 -4.5708 -4.5668 -4.5246 -4.5235 -4.2532 -4.2530 -2.5092 -2.5078 0.9329 0.9344 8.6791 8.6909 11.4427 11.4774 13.3985 13.4343 15.1141 15.1145 17.0185 17.0571 17.6137 17.6483 k = 0.0000 0.0000 0.2232 ( 1490 PWs) bands (ev): -5.5553 -5.5552 -5.4017 -5.3991 -4.5702 -4.5670 -4.5242 -4.5233 -4.2532 -4.2530 -2.5006 -2.4994 0.8956 0.8967 8.9090 8.9210 11.1981 11.2267 13.4060 13.4328 15.1246 15.1247 17.0515 17.0885 17.5553 17.5894 k = 0.0000 0.0000 0.2325 ( 1486 PWs) bands (ev): -5.5553 -5.5552 -5.4009 -5.3989 -4.5697 -4.5673 -4.5238 -4.5231 -4.2532 -4.2531 -2.4937 -2.4928 0.8663 0.8672 9.1308 9.1426 10.9650 10.9884 13.4125 13.4316 15.1330 15.1330 17.0846 17.1183 17.5041 17.5358 k = 0.0000 0.0000 0.2418 ( 1486 PWs) bands (ev): -5.5552 -5.5552 -5.4002 -5.3989 -4.5692 -4.5676 -4.5235 -4.5230 -4.2532 -4.2531 -2.4886 -2.4880 0.8453 0.8459 9.3339 9.3446 10.7549 10.7729 13.4179 13.4302 15.1391 15.1391 17.1161 17.1434 17.4636 17.4896 k = 0.0000 0.0000 0.2511 ( 1486 PWs) bands (ev): -5.5552 -5.5552 -5.3997 -5.3990 -4.5687 -4.5679 -4.5233 -4.5230 -4.2532 -4.2532 -2.4854 -2.4851 0.8327 0.8330 9.4939 9.5011 10.5941 10.6049 13.4223 13.4284 15.1428 15.1428 17.1425 17.1586 17.4390 17.4544 k = 0.0000 0.0000 0.2604 ( 1474 PWs) bands (ev): -5.5552 -5.5552 -5.3993 -5.3993 -4.5683 -4.5683 -4.5231 -4.5231 -4.2532 -4.2532 -2.4843 -2.4843 0.8286 0.8286 9.5621 9.5621 10.5329 10.5329 13.4258 13.4258 15.1441 15.1441 17.1585 17.1585 17.4358 17.4358 k = 0.0000 0.0000 0.2604 ( 1474 PWs) bands (ev): -5.5552 -5.5552 -5.3993 -5.3993 -4.5683 -4.5683 -4.5231 -4.5231 -4.2532 -4.2532 -2.4843 -2.4843 0.8286 0.8286 9.5621 9.5621 10.5329 10.5329 13.4258 13.4258 15.1441 15.1441 17.1585 17.1585 17.4358 17.4358 k = 0.0093-0.0000 0.2604 ( 1478 PWs) bands (ev): -5.5549 -5.5548 -5.3993 -5.3991 -4.5684 -4.5683 -4.5233 -4.5231 -4.2536 -4.2532 -2.4828 -2.4827 0.8301 0.8302 9.5632 9.5635 10.5341 10.5348 13.4266 13.4266 15.1171 15.1187 17.1591 17.1610 17.4425 17.4439 k = 0.0185-0.0000 0.2604 ( 1486 PWs) bands (ev): -5.5538 -5.5538 -5.3991 -5.3988 -4.5684 -4.5682 -4.5236 -4.5232 -4.2546 -4.2537 -2.4782 -2.4780 0.8347 0.8348 9.5669 9.5676 10.5386 10.5401 13.4289 13.4290 15.0403 15.0436 17.1627 17.1666 17.4627 17.4654 k = 0.0278-0.0000 0.2604 ( 1490 PWs) bands (ev): -5.5521 -5.5521 -5.3988 -5.3983 -4.5685 -4.5682 -4.5240 -4.5234 -4.2560 -4.2547 -2.4706 -2.4703 0.8423 0.8425 9.5733 9.5742 10.5463 10.5485 13.4325 13.4325 14.9207 14.9253 17.1690 17.1752 17.4924 17.4961 k = 0.0370-0.0000 0.2604 ( 1486 PWs) bands (ev): -5.5498 -5.5497 -5.3983 -5.3976 -4.5686 -4.5681 -4.5246 -4.5238 -4.2579 -4.2561 -2.4599 -2.4594 0.8531 0.8534 9.5822 9.5835 10.5572 10.5602 13.4364 13.4365 14.7669 14.7729 17.1775 17.1866 17.5276 17.5318 k = 0.0463-0.0000 0.2604 ( 1490 PWs) bands (ev): -5.5468 -5.5467 -5.3977 -5.3968 -4.5687 -4.5681 -4.5252 -4.5242 -4.2602 -4.2580 -2.4461 -2.4456 0.8669 0.8672 9.5936 9.5952 10.5712 10.5751 13.4394 13.4398 14.5883 14.5957 17.1869 17.2001 17.5649 17.5692 k = 0.0556-0.0000 0.2604 ( 1494 PWs) bands (ev): -5.5432 -5.5432 -5.3968 -5.3958 -4.5688 -4.5681 -4.5260 -4.5247 -4.2629 -4.2604 -2.4293 -2.4286 0.8838 0.8842 9.6076 9.6096 10.5883 10.5930 13.4387 13.4396 14.3946 14.4034 17.1945 17.2144 17.6023 17.6064 k = 0.0648-0.0000 0.2604 ( 1492 PWs) bands (ev): -5.5391 -5.5390 -5.3958 -5.3945 -4.5690 -4.5680 -4.5268 -4.5253 -4.2661 -4.2632 -2.4094 -2.4086 0.9038 0.9043 9.6241 9.6264 10.6084 10.6141 13.4283 13.4301 14.1970 14.2076 17.1926 17.2249 17.6388 17.6411 k = 0.0741-0.0000 0.2604 ( 1492 PWs) bands (ev): -5.5345 -5.5344 -5.3945 -5.3931 -4.5692 -4.5680 -4.5276 -4.5258 -4.2696 -4.2663 -2.3864 -2.3856 0.9269 0.9275 9.6430 9.6456 10.6314 10.6381 13.3950 13.3979 14.0131 14.0259 17.1575 17.2114 17.5234 17.5867 k = 0.0833-0.0000 0.2604 ( 1492 PWs) bands (ev): -5.5295 -5.5294 -5.3931 -5.3915 -4.5694 -4.5681 -4.5284 -4.5264 -4.2736 -4.2699 -2.3605 -2.3596 0.9531 0.9538 9.6643 9.6673 10.6571 10.6649 13.3148 13.3179 13.8714 13.8855 17.0382 17.0956 17.4049 17.4720 k = 0.0926-0.0000 0.2604 ( 1496 PWs) bands (ev): -5.5241 -5.5240 -5.3913 -5.3896 -4.5697 -4.5681 -4.5292 -4.5268 -4.2779 -4.2739 -2.3315 -2.3306 0.9824 0.9832 9.6879 9.6913 10.6854 10.6944 13.1691 13.1703 13.7942 13.8077 16.8312 16.8692 17.3961 17.4443 k = 0.1019-0.0000 0.2604 ( 1500 PWs) bands (ev): -5.5185 -5.5184 -5.3894 -5.3875 -4.5700 -4.5682 -4.5298 -4.5272 -4.2825 -4.2782 -2.2995 -2.2986 1.0149 1.0158 9.7138 9.7176 10.7158 10.7262 12.9697 12.9712 13.7693 13.7814 16.5854 16.6112 17.4201 17.4566 k = 0.1111-0.0000 0.2604 ( 1504 PWs) bands (ev): -5.5127 -5.5126 -5.3871 -5.3851 -4.5704 -4.5684 -4.5304 -4.5275 -4.2874 -4.2828 -2.2646 -2.2636 1.0505 1.0514 9.7417 9.7459 10.7479 10.7600 12.7412 12.7455 13.7732 13.7843 16.3255 16.3443 17.4552 17.4855 k = 0.1204-0.0000 0.2604 ( 1508 PWs) bands (ev): -5.5067 -5.5066 -5.3846 -5.3824 -4.5708 -4.5685 -4.5308 -4.5277 -4.2925 -4.2877 -2.2266 -2.2256 1.0893 1.0903 9.7716 9.7762 10.7808 10.7950 12.5003 12.5073 13.7924 13.8030 16.0597 16.0743 17.4967 17.5234 k = 0.1296-0.0000 0.2604 ( 1514 PWs) bands (ev): -5.5007 -5.5007 -5.3818 -5.3794 -4.5712 -4.5688 -4.5310 -4.5276 -4.2979 -4.2929 -2.1857 -2.1847 1.1312 1.1323 9.8032 9.8083 10.8131 10.8299 12.2552 12.2653 13.8209 13.8312 15.7918 15.8034 17.5429 17.5675 k = 0.1389-0.0000 0.2604 ( 1506 PWs) bands (ev): -5.4949 -5.4947 -5.3786 -5.3761 -4.5716 -4.5690 -4.5309 -4.5274 -4.3035 -4.2982 -2.1419 -2.1409 1.1763 1.1775 9.8362 9.8419 10.8418 10.8622 12.0122 12.0261 13.8557 13.8659 15.5233 15.5327 17.5932 17.6164 k = 0.1481-0.0000 0.2604 ( 1506 PWs) bands (ev): -5.4891 -5.4890 -5.3751 -5.3725 -4.5720 -4.5692 -4.5307 -4.5270 -4.3092 -4.3038 -2.0952 -2.0941 1.2246 1.2259 9.8702 9.8765 10.8610 10.8863 11.7791 11.7981 13.8955 13.9058 15.2554 15.2631 17.6472 17.6697 k = 0.1574-0.0000 0.2604 ( 1512 PWs) bands (ev): -5.4836 -5.4835 -5.3713 -5.3686 -4.5723 -4.5695 -4.5301 -4.5263 -4.3151 -4.3095 -2.0456 -2.0445 1.2761 1.2775 9.9043 9.9114 10.8576 10.8890 11.5709 11.5962 13.9393 13.9498 14.9889 14.9953 17.7046 17.7268 k = 0.1667-0.0000 0.2604 ( 1512 PWs) bands (ev): -5.4784 -5.4782 -5.3672 -5.3644 -4.5726 -4.5697 -4.5292 -4.5255 -4.3210 -4.3153 -1.9931 -1.9920 1.3308 1.3322 9.9372 9.9452 10.8070 10.8421 11.4177 11.4470 13.9867 13.9974 14.7245 14.7297 17.7654 17.7876 k = 0.1759-0.0000 0.2604 ( 1512 PWs) bands (ev): -5.4735 -5.4733 -5.3628 -5.3599 -4.5728 -4.5700 -4.5281 -4.5243 -4.3269 -4.3212 -1.9377 -1.9367 1.3887 1.3903 9.9658 9.9752 10.6892 10.7199 11.3484 11.3740 14.0373 14.0483 14.4627 14.4669 17.8293 17.8518 k = 0.1852-0.0000 0.2604 ( 1512 PWs) bands (ev): -5.4690 -5.4687 -5.3582 -5.3553 -4.5729 -4.5702 -4.5265 -4.5229 -4.3329 -4.3271 -1.8795 -1.8786 1.4499 1.4515 9.9823 9.9940 10.5243 10.5462 11.3466 11.3648 14.0907 14.1021 14.2044 14.2077 17.8963 17.9193 k = 0.1944-0.0000 0.2604 ( 1512 PWs) bands (ev): -5.4648 -5.4645 -5.3535 -5.3505 -4.5730 -4.5704 -4.5246 -4.5213 -4.3388 -4.3330 -1.8186 -1.8177 1.5143 1.5160 9.9626 9.9781 10.3639 10.3768 11.3797 11.3918 13.9498 13.9520 14.1474 14.1589 17.9662 17.9899 k = 0.2037-0.0000 0.2604 ( 1512 PWs) bands (ev): -5.4610 -5.4607 -5.3486 -5.3457 -4.5729 -4.5706 -4.5224 -4.5193 -4.3445 -4.3388 -1.7548 -1.7540 1.5819 1.5837 9.8584 9.8765 10.2733 10.2802 11.4299 11.4377 13.7002 13.7014 14.2062 14.2181 18.0389 18.0636 k = 0.2130-0.0000 0.2604 ( 1516 PWs) bands (ev): -5.4576 -5.4572 -5.3438 -5.3409 -4.5728 -4.5708 -4.5197 -4.5171 -4.3501 -4.3444 -1.6884 -1.6876 1.6528 1.6546 9.6717 9.6883 10.2578 10.2640 11.4899 11.4946 13.4563 13.4566 14.2675 14.2798 18.1142 18.1402 k = 0.2222-0.0000 0.2604 ( 1516 PWs) bands (ev): -5.4546 -5.4540 -5.3390 -5.3361 -4.5727 -4.5710 -4.5167 -4.5145 -4.3555 -4.3499 -1.6192 -1.6185 1.7269 1.7288 9.4498 9.4642 10.2727 10.2799 11.5565 11.5586 13.2187 13.2194 14.3311 14.3438 18.1919 18.2196 k = 0.2315-0.0000 0.2604 ( 1516 PWs) bands (ev): -5.4518 -5.4512 -5.3344 -5.3315 -4.5726 -4.5713 -4.5133 -4.5116 -4.3606 -4.3552 -1.5475 -1.5468 1.8042 1.8062 9.2158 9.2283 10.2956 10.3039 11.6278 11.6279 12.9894 12.9913 14.3968 14.4100 18.2718 18.3017 k = 0.2407-0.0000 0.2604 ( 1516 PWs) bands (ev): -5.4494 -5.4487 -5.3300 -5.3272 -4.5726 -4.5716 -4.5096 -4.5085 -4.3653 -4.3601 -1.4731 -1.4725 1.8848 1.8869 8.9775 8.9886 10.3177 10.3272 11.7011 11.7028 12.7710 12.7742 14.4645 14.4782 18.3537 18.3863 k = 0.2500-0.0000 0.2604 ( 1512 PWs) bands (ev): -5.4472 -5.4465 -5.3258 -5.3231 -4.5726 -4.5720 -4.5055 -4.5050 -4.3696 -4.3647 -1.3961 -1.3956 1.9686 1.9708 8.7382 8.7482 10.3337 10.3443 11.7771 11.7806 12.5668 12.5715 14.5340 14.5482 18.4372 18.4734 k = 0.2593-0.0000 0.2604 ( 1512 PWs) bands (ev): -5.4453 -5.4445 -5.3220 -5.3194 -4.5727 -4.5726 -4.5014 -4.5012 -4.3733 -4.3688 -1.3167 -1.3162 2.0556 2.0579 8.4996 8.5087 10.3388 10.3505 11.8544 11.8598 12.3814 12.3881 14.6053 14.6199 18.5216 18.5627 k = 0.2685-0.0000 0.2604 ( 1512 PWs) bands (ev): -5.4435 -5.4427 -5.3186 -5.3161 -4.5732 -4.5730 -4.4975 -4.4966 -4.3764 -4.3723 -1.2349 -1.2345 2.1457 2.1481 8.2627 8.2710 10.3277 10.3406 11.9280 11.9362 12.2235 12.2331 14.6780 14.6932 18.6063 18.6541 k = 0.2778-0.0000 0.2604 ( 1516 PWs) bands (ev): -5.4420 -5.4411 -5.3155 -5.3131 -4.5740 -4.5734 -4.4937 -4.4920 -4.3789 -4.3752 -1.1507 -1.1504 2.2390 2.2415 8.0280 8.0356 10.2951 10.3089 11.9717 11.9818 12.1262 12.1377 14.7520 14.7678 18.6896 18.7473 k = 0.2870-0.0000 0.2604 ( 1516 PWs) bands (ev): -5.4406 -5.4397 -5.3129 -5.3106 -4.5749 -4.5741 -4.4898 -4.4875 -4.3805 -4.3774 -1.0643 -1.0641 2.3355 2.3381 7.7961 7.8032 10.2364 10.2508 11.9298 11.9315 12.1589 12.1617 14.8272 14.8436 18.7684 18.8099 k = 0.2963-0.0000 0.2604 ( 1512 PWs) bands (ev): -5.4394 -5.4384 -5.3106 -5.3084 -4.5760 -4.5750 -4.4861 -4.4831 -4.3812 -4.3787 -0.9758 -0.9756 2.4349 2.4376 7.5673 7.5739 10.1493 10.1638 11.8685 11.8705 12.2392 12.2406 14.9033 14.9203 18.8363 18.8693 k = 0.3056-0.0000 0.2604 ( 1516 PWs) bands (ev): -5.4384 -5.4373 -5.3088 -5.3067 -4.5773 -4.5760 -4.4827 -4.4790 -4.3809 -4.3790 -0.8852 -0.8851 2.5374 2.5402 7.3421 7.3482 10.0344 10.0487 11.8315 11.8345 12.3280 12.3315 14.9801 14.9978 18.8778 18.9216 k = 0.3148-0.0000 0.2604 ( 1518 PWs) bands (ev): -5.4374 -5.4364 -5.3074 -5.3054 -4.5787 -4.5773 -4.4796 -4.4753 -4.3797 -4.3783 -0.7928 -0.7928 2.6428 2.6456 7.1206 7.1263 9.8956 9.9093 11.8218 11.8248 12.4213 12.4261 15.0574 15.0758 18.8567 18.9621 k = 0.3241-0.0000 0.2604 ( 1518 PWs) bands (ev): -5.4366 -5.4355 -5.3063 -5.3044 -4.5803 -4.5788 -4.4770 -4.4723 -4.3774 -4.3766 -0.6988 -0.6988 2.7510 2.7539 6.9032 6.9085 9.7381 9.7510 11.8350 11.8377 12.5173 12.5232 15.1348 15.1540 18.7509 18.8770 k = 0.3333-0.0000 0.2604 ( 1520 PWs) bands (ev): -5.4359 -5.4348 -5.3055 -5.3038 -4.5820 -4.5804 -4.4748 -4.4698 -4.3741 -4.3738 -0.6033 -0.6032 2.8619 2.8649 6.6902 6.6952 9.5668 9.5790 11.8665 11.8686 12.6153 12.6220 15.2122 15.2321 18.5952 18.6788 k = 0.3426-0.0000 0.2604 ( 1520 PWs) bands (ev): -5.4352 -5.4341 -5.3051 -5.3035 -4.5838 -4.5822 -4.4731 -4.4678 -4.3701 -4.3701 -0.5066 -0.5064 2.9754 2.9785 6.4819 6.4867 9.3862 9.3976 11.9118 11.9133 12.7147 12.7221 15.2891 15.3098 18.4214 18.4822 k = 0.3519-0.0000 0.2604 ( 1516 PWs) bands (ev): -5.4347 -5.4336 -5.3049 -5.3034 -4.5856 -4.5841 -4.4717 -4.4664 -4.3655 -4.3653 -0.4089 -0.4086 3.0912 3.0944 6.2788 6.2832 9.1997 9.2103 11.9675 11.9684 12.8152 12.8232 15.3653 15.3869 18.2429 18.2903 k = 0.3611-0.0000 0.2604 ( 1514 PWs) bands (ev): -5.4342 -5.4331 -5.3050 -5.3036 -4.5876 -4.5861 -4.4707 -4.4655 -4.3603 -4.3599 -0.3105 -0.3102 3.2092 3.2125 6.0811 6.0853 9.0099 9.0198 12.0308 12.0313 12.9163 12.9249 15.4404 15.4628 18.0649 18.1035 k = 0.3704-0.0000 0.2604 ( 1514 PWs) bands (ev): -5.4338 -5.4327 -5.3053 -5.3040 -4.5896 -4.5881 -4.4700 -4.4649 -4.3547 -4.3542 -0.2118 -0.2114 3.3291 3.3324 5.8895 5.8934 8.8188 8.8282 12.0997 12.0998 13.0175 13.0266 15.5140 15.5373 17.8902 17.9225 k = 0.3796-0.0000 0.2604 ( 1516 PWs) bands (ev): -5.4334 -5.4324 -5.3057 -5.3045 -4.5916 -4.5902 -4.4694 -4.4646 -4.3488 -4.3482 -0.1134 -0.1129 3.4506 3.4539 5.7043 5.7080 8.6282 8.6370 12.1722 12.1726 13.1185 13.1280 15.5858 15.6099 17.7201 17.7478 k = 0.3889-0.0000 0.2604 ( 1508 PWs) bands (ev): -5.4331 -5.4321 -5.3063 -5.3052 -4.5935 -4.5923 -4.4690 -4.4645 -4.3428 -4.3422 -0.0156 -0.0151 3.5731 3.5765 5.5263 5.5297 8.4393 8.4476 12.2470 12.2478 13.2186 13.2284 15.6552 15.6802 17.5558 17.5799 k = 0.3981-0.0000 0.2604 ( 1500 PWs) bands (ev): -5.4328 -5.4319 -5.3069 -5.3060 -4.5954 -4.5943 -4.4686 -4.4645 -4.3368 -4.3362 0.0808 0.0813 3.6962 3.6995 5.3561 5.3593 8.2535 8.2613 12.3231 12.3242 13.3173 13.3273 15.7218 15.7476 17.3984 17.4195 k = 0.4074-0.0000 0.2604 ( 1496 PWs) bands (ev): -5.4326 -5.4318 -5.3076 -5.3068 -4.5973 -4.5962 -4.4684 -4.4646 -4.3310 -4.3305 0.1751 0.1757 3.8190 3.8224 5.1947 5.1977 8.0718 8.0791 12.3992 12.4005 13.4137 13.4239 15.7852 15.8116 17.2487 17.2672 k = 0.4167-0.0000 0.2604 ( 1496 PWs) bands (ev): -5.4324 -5.4316 -5.3084 -5.3076 -4.5990 -4.5981 -4.4681 -4.4647 -4.3254 -4.3249 0.2665 0.2671 3.9406 3.9439 5.0432 5.0459 7.8956 7.9025 12.4741 12.4755 13.5070 13.5172 15.8449 15.8718 17.1077 17.1239 k = 0.4259-0.0000 0.2604 ( 1498 PWs) bands (ev): -5.4323 -5.4316 -5.3091 -5.3084 -4.6006 -4.5998 -4.4679 -4.4649 -4.3202 -4.3198 0.3539 0.3544 4.0594 4.0626 4.9031 4.9054 7.7263 7.7327 12.5464 12.5480 13.5963 13.6063 15.9004 15.9276 16.9764 16.9905 k = 0.4352-0.0000 0.2604 ( 1498 PWs) bands (ev): -5.4321 -5.4315 -5.3098 -5.3092 -4.6021 -4.6014 -4.4678 -4.4651 -4.3155 -4.3151 0.4361 0.4366 4.1731 4.1761 4.7764 4.7784 7.5656 7.5714 12.6151 12.6166 13.6804 13.6900 15.9514 15.9784 16.8560 16.8681 k = 0.4444-0.0000 0.2604 ( 1498 PWs) bands (ev): -5.4320 -5.4315 -5.3105 -5.3100 -4.6034 -4.6029 -4.4676 -4.4653 -4.3112 -4.3109 0.5118 0.5124 4.2771 4.2797 4.6673 4.6689 7.4155 7.4207 12.6787 12.6802 13.7579 13.7669 15.9974 16.0236 16.7475 16.7577 k = 0.4537-0.0000 0.2604 ( 1498 PWs) bands (ev): -5.4319 -5.4314 -5.3111 -5.3107 -4.6046 -4.6041 -4.4674 -4.4655 -4.3075 -4.3072 0.5797 0.5802 4.3585 4.3602 4.5883 4.5888 7.2786 7.2832 12.7358 12.7372 13.8275 13.8357 16.0382 16.0628 16.6522 16.6605 k = 0.4630-0.0000 0.2604 ( 1498 PWs) bands (ev): -5.4318 -5.4314 -5.3116 -5.3112 -4.6055 -4.6051 -4.4673 -4.4657 -4.3044 -4.3042 0.6381 0.6385 4.3808 4.3809 4.5731 4.5744 7.1580 7.1619 12.7851 12.7863 13.8876 13.8946 16.0734 16.0955 16.5715 16.5779 k = 0.4722-0.0000 0.2604 ( 1498 PWs) bands (ev): -5.4317 -5.4315 -5.3119 -5.3117 -4.6062 -4.6060 -4.4671 -4.4660 -4.3020 -4.3018 0.6855 0.6859 4.3452 4.3459 4.6180 4.6197 7.0577 7.0608 12.8252 12.8262 13.9367 13.9423 16.1028 16.1212 16.5065 16.5110 k = 0.4815-0.0000 0.2604 ( 1496 PWs) bands (ev): -5.4317 -5.4315 -5.3122 -5.3121 -4.6068 -4.6066 -4.4669 -4.4661 -4.3002 -4.3001 0.7206 0.7209 4.3049 4.3055 4.6688 4.6701 6.9818 6.9839 12.8549 12.8556 13.9733 13.9772 16.1260 16.1393 16.4586 16.4613 k = 0.4907-0.0000 0.2604 ( 1494 PWs) bands (ev): -5.4316 -5.4315 -5.3124 -5.3123 -4.6071 -4.6070 -4.4667 -4.4663 -4.2991 -4.2990 0.7422 0.7423 4.2778 4.2781 4.7039 4.7047 6.9344 6.9355 12.8732 12.8735 13.9962 13.9982 16.1421 16.1491 16.4291 16.4304 k = 0.5000-0.0000 0.2604 ( 1488 PWs) bands (ev): -5.4316 -5.4316 -5.3124 -5.3124 -4.6071 -4.6071 -4.4665 -4.4665 -4.2987 -4.2987 0.7495 0.7495 4.2686 4.2686 4.7166 4.7166 6.9185 6.9185 12.8795 12.8795 14.0046 14.0046 16.1501 16.1501 16.4195 16.4195 k = 0.5000-0.0000 0.2604 ( 1488 PWs) bands (ev): -5.4316 -5.4316 -5.3124 -5.3124 -4.6071 -4.6071 -4.4665 -4.4665 -4.2987 -4.2987 0.7495 0.7495 4.2686 4.2686 4.7166 4.7166 6.9185 6.9185 12.8795 12.8795 14.0046 14.0046 16.1501 16.1501 16.4195 16.4195 k = 0.5000 0.0092 0.2604 ( 1492 PWs) bands (ev): -5.4314 -5.4314 -5.3124 -5.3124 -4.6071 -4.6071 -4.4666 -4.4666 -4.2987 -4.2987 0.7511 0.7511 4.2699 4.2699 4.7180 4.7180 6.9202 6.9202 12.8803 12.8803 14.0059 14.0059 16.1325 16.1325 16.4206 16.4206 k = 0.5000 0.0183 0.2604 ( 1492 PWs) bands (ev): -5.4308 -5.4308 -5.3124 -5.3124 -4.6070 -4.6070 -4.4669 -4.4669 -4.2987 -4.2987 0.7557 0.7557 4.2737 4.2737 4.7222 4.7222 6.9253 6.9253 12.8826 12.8826 14.0096 14.0096 16.0806 16.0806 16.4237 16.4237 k = 0.5000 0.0275 0.2604 ( 1496 PWs) bands (ev): -5.4298 -5.4298 -5.3124 -5.3124 -4.6070 -4.6070 -4.4674 -4.4674 -4.2987 -4.2987 0.7634 0.7634 4.2802 4.2802 4.7292 4.7292 6.9337 6.9337 12.8864 12.8864 14.0157 14.0157 15.9966 15.9966 16.4290 16.4290 k = 0.5000 0.0367 0.2604 ( 1500 PWs) bands (ev): -5.4285 -5.4285 -5.3124 -5.3124 -4.6068 -4.6068 -4.4681 -4.4681 -4.2987 -4.2987 0.7741 0.7741 4.2892 4.2892 4.7390 4.7390 6.9455 6.9455 12.8917 12.8917 14.0240 14.0240 15.8841 15.8841 16.4364 16.4364 k = 0.5000 0.0459 0.2604 ( 1504 PWs) bands (ev): -5.4269 -5.4269 -5.3125 -5.3125 -4.6066 -4.6066 -4.4691 -4.4691 -4.2987 -4.2987 0.7880 0.7880 4.3008 4.3008 4.7516 4.7516 6.9606 6.9606 12.8984 12.8984 14.0341 14.0341 15.7472 15.7472 16.4458 16.4458 k = 0.5000 0.0550 0.2604 ( 1500 PWs) bands (ev): -5.4249 -5.4249 -5.3125 -5.3125 -4.6064 -4.6064 -4.4702 -4.4702 -4.2986 -4.2986 0.8049 0.8049 4.3150 4.3150 4.7670 4.7670 6.9791 6.9791 12.9063 12.9063 14.0455 14.0455 15.5905 15.5905 16.4571 16.4571 k = 0.5000 0.0642 0.2604 ( 1500 PWs) bands (ev): -5.4227 -5.4227 -5.3126 -5.3126 -4.6060 -4.6060 -4.4715 -4.4715 -4.2985 -4.2985 0.8249 0.8249 4.3317 4.3317 4.7853 4.7853 7.0008 7.0008 12.9154 12.9154 14.0572 14.0572 15.4189 15.4189 16.4702 16.4702 k = 0.5000 0.0734 0.2604 ( 1504 PWs) bands (ev): -5.4201 -5.4201 -5.3126 -5.3126 -4.6056 -4.6056 -4.4730 -4.4730 -4.2983 -4.2983 0.8479 0.8479 4.3509 4.3509 4.8063 4.8063 7.0258 7.0258 12.9254 12.9254 14.0674 14.0674 15.2375 15.2375 16.4851 16.4851 k = 0.5000 0.0825 0.2604 ( 1508 PWs) bands (ev): -5.4174 -5.4174 -5.3127 -5.3127 -4.6051 -4.6051 -4.4747 -4.4747 -4.2980 -4.2980 0.8739 0.8739 4.3727 4.3727 4.8302 4.8302 7.0541 7.0541 12.9360 12.9360 14.0730 14.0730 15.0528 15.0528 16.5016 16.5016 k = 0.5000 0.0917 0.2604 ( 1508 PWs) bands (ev): -5.4145 -5.4145 -5.3129 -5.3129 -4.6044 -4.6044 -4.4766 -4.4766 -4.2975 -4.2975 0.9031 0.9031 4.3969 4.3969 4.8570 4.8570 7.0857 7.0857 12.9468 12.9468 14.0676 14.0676 14.8738 14.8738 16.5195 16.5195 k = 0.5000 0.1009 0.2604 ( 1512 PWs) bands (ev): -5.4114 -5.4114 -5.3130 -5.3130 -4.6036 -4.6036 -4.4787 -4.4787 -4.2969 -4.2969 0.9352 0.9352 4.4236 4.4236 4.8866 4.8866 7.1204 7.1204 12.9570 12.9570 14.0390 14.0390 14.7154 14.7154 16.5386 16.5386 k = 0.5000 0.1100 0.2604 ( 1508 PWs) bands (ev): -5.4082 -5.4082 -5.3132 -5.3132 -4.6027 -4.6027 -4.4809 -4.4809 -4.2961 -4.2961 0.9704 0.9704 4.4527 4.4527 4.9190 4.9190 7.1582 7.1582 12.9655 12.9655 13.9691 13.9691 14.5984 14.5984 16.5585 16.5585 k = 0.5000 0.1192 0.2604 ( 1512 PWs) bands (ev): -5.4050 -5.4050 -5.3135 -5.3135 -4.6017 -4.6017 -4.4833 -4.4833 -4.2951 -4.2951 1.0086 1.0086 4.4841 4.4841 4.9543 4.9543 7.1992 7.1992 12.9700 12.9700 13.8482 13.8482 14.5359 14.5359 16.5788 16.5788 k = 0.5000 0.1284 0.2604 ( 1512 PWs) bands (ev): -5.4017 -5.4017 -5.3138 -5.3138 -4.6006 -4.6006 -4.4857 -4.4857 -4.2939 -4.2939 1.0498 1.0498 4.5180 4.5180 4.9925 4.9925 7.2433 7.2433 12.9660 12.9660 13.6909 13.6909 14.5186 14.5186 16.5991 16.5991 k = 0.5000 0.1376 0.2604 ( 1508 PWs) bands (ev): -5.3985 -5.3985 -5.3142 -5.3142 -4.5993 -4.5993 -4.4882 -4.4882 -4.2924 -4.2924 1.0939 1.0939 4.5541 4.5541 5.0336 5.0336 7.2903 7.2903 12.9436 12.9436 13.5250 13.5250 14.5295 14.5295 16.6185 16.6185 k = 0.5000 0.1467 0.2604 ( 1508 PWs) bands (ev): -5.3953 -5.3953 -5.3146 -5.3146 -4.5980 -4.5980 -4.4907 -4.4907 -4.2906 -4.2906 1.1411 1.1411 4.5925 4.5925 5.0776 5.0776 7.3404 7.3404 12.8828 12.8828 13.3825 13.3825 14.5567 14.5567 16.6358 16.6358 k = 0.5000 0.1559 0.2604 ( 1504 PWs) bands (ev): -5.3922 -5.3922 -5.3151 -5.3151 -4.5967 -4.5967 -4.4931 -4.4931 -4.2885 -4.2885 1.1912 1.1912 4.6331 4.6331 5.1245 5.1245 7.3933 7.3933 12.7616 12.7616 13.2915 13.2915 14.5944 14.5944 16.6487 16.6487 k = 0.5000 0.1651 0.2604 ( 1504 PWs) bands (ev): -5.3893 -5.3893 -5.3158 -5.3158 -4.5953 -4.5953 -4.4954 -4.4954 -4.2861 -4.2861 1.2443 1.2443 4.6759 4.6759 5.1743 5.1743 7.4491 7.4491 12.5860 12.5860 13.2495 13.2495 14.6391 14.6391 16.6504 16.6504 k = 0.5000 0.1742 0.2604 ( 1508 PWs) bands (ev): -5.3865 -5.3865 -5.3165 -5.3165 -4.5941 -4.5941 -4.4975 -4.4975 -4.2834 -4.2834 1.3003 1.3003 4.7208 4.7208 5.2271 5.2271 7.5077 7.5077 12.3797 12.3797 13.2341 13.2341 14.6892 14.6892 16.5656 16.5656 k = 0.5000 0.1834 0.2604 ( 1508 PWs) bands (ev): -5.3839 -5.3839 -5.3174 -5.3174 -4.5931 -4.5931 -4.4992 -4.4992 -4.2804 -4.2804 1.3592 1.3592 4.7676 4.7676 5.2829 5.2829 7.5689 7.5689 12.1585 12.1585 13.2298 13.2298 14.7435 14.7435 16.3978 16.3978 k = 0.5000 0.1926 0.2604 ( 1508 PWs) bands (ev): -5.3815 -5.3815 -5.3184 -5.3184 -4.5924 -4.5924 -4.5004 -4.5004 -4.2769 -4.2769 1.4209 1.4209 4.8165 4.8165 5.3416 5.3416 7.6328 7.6328 11.9303 11.9303 13.2290 13.2290 14.8013 14.8013 16.2191 16.2191 k = 0.5000 0.2017 0.2604 ( 1508 PWs) bands (ev): -5.3793 -5.3793 -5.3195 -5.3195 -4.5921 -4.5921 -4.5012 -4.5012 -4.2732 -4.2732 1.4856 1.4856 4.8671 4.8671 5.4033 5.4033 7.6993 7.6993 11.6986 11.6986 13.2272 13.2272 14.8616 14.8616 16.0317 16.0317 k = 0.5000 0.2109 0.2604 ( 1504 PWs) bands (ev): -5.3773 -5.3773 -5.3208 -5.3208 -4.5922 -4.5922 -4.5012 -4.5012 -4.2690 -4.2690 1.5531 1.5531 4.9195 4.9195 5.4679 5.4679 7.7682 7.7682 11.4657 11.4657 13.2213 13.2213 14.9235 14.9235 15.8388 15.8388 k = 0.5000 0.2201 0.2604 ( 1500 PWs) bands (ev): -5.3756 -5.3756 -5.3221 -5.3221 -4.5929 -4.5929 -4.5007 -4.5007 -4.2645 -4.2645 1.6234 1.6234 4.9736 4.9736 5.5356 5.5356 7.8395 7.8395 11.2326 11.2326 13.2084 13.2084 14.9851 14.9851 15.6469 15.6469 k = 0.5000 0.2293 0.2604 ( 1500 PWs) bands (ev): -5.3742 -5.3742 -5.3237 -5.3237 -4.5941 -4.5941 -4.4994 -4.4994 -4.2596 -4.2596 1.6964 1.6964 5.0293 5.0293 5.6063 5.6063 7.9130 7.9130 11.0003 11.0003 13.1858 13.1858 15.0420 15.0420 15.4589 15.4589 k = 0.5000 0.2384 0.2604 ( 1496 PWs) bands (ev): -5.3729 -5.3729 -5.3253 -5.3253 -4.5959 -4.5959 -4.4975 -4.4975 -4.2543 -4.2543 1.7722 1.7722 5.0863 5.0863 5.6800 5.6800 7.9887 7.9887 10.7693 10.7693 13.1504 13.1504 15.0806 15.0806 15.2741 15.2741 k = 0.5000 0.2476 0.2604 ( 1496 PWs) bands (ev): -5.3720 -5.3720 -5.3271 -5.3271 -4.5981 -4.5981 -4.4950 -4.4950 -4.2487 -4.2487 1.8507 1.8507 5.1446 5.1446 5.7567 5.7567 8.0664 8.0664 10.5400 10.5400 13.0995 13.0995 15.0602 15.0602 15.0994 15.0994 k = 0.5000 0.2568 0.2604 ( 1496 PWs) bands (ev): -5.3712 -5.3712 -5.3289 -5.3289 -4.6008 -4.6008 -4.4920 -4.4920 -4.2427 -4.2427 1.9318 1.9318 5.2041 5.2041 5.8365 5.8365 8.1459 8.1459 10.3129 10.3129 13.0307 13.0307 14.9025 14.9025 15.0090 15.0090 k = 0.5000 0.2659 0.2604 ( 1500 PWs) bands (ev): -5.3708 -5.3708 -5.3308 -5.3308 -4.6038 -4.6038 -4.4887 -4.4887 -4.2364 -4.2364 2.0154 2.0154 5.2645 5.2645 5.9192 5.9192 8.2272 8.2272 10.0883 10.0883 12.9428 12.9428 14.7237 14.7237 14.9316 14.9316 k = 0.5000 0.2751 0.2604 ( 1492 PWs) bands (ev): -5.3705 -5.3705 -5.3328 -5.3328 -4.6071 -4.6071 -4.4850 -4.4850 -4.2297 -4.2297 2.1016 2.1016 5.3257 5.3257 6.0050 6.0050 8.3100 8.3100 9.8665 9.8665 12.8358 12.8358 14.5471 14.5471 14.8672 14.8672 k = 0.5000 0.2843 0.2604 ( 1488 PWs) bands (ev): -5.3705 -5.3705 -5.3348 -5.3348 -4.6106 -4.6106 -4.4811 -4.4811 -4.2228 -4.2228 2.1902 2.1902 5.3875 5.3875 6.0937 6.0937 8.3941 8.3941 9.6478 9.6478 12.7109 12.7109 14.3739 14.3739 14.8202 14.8202 k = 0.5000 0.2934 0.2604 ( 1488 PWs) bands (ev): -5.3708 -5.3708 -5.3369 -5.3369 -4.6142 -4.6142 -4.4771 -4.4771 -4.2157 -4.2157 2.2811 2.2811 5.4496 5.4496 6.1854 6.1854 8.4793 8.4793 9.4325 9.4325 12.5706 12.5706 14.2045 14.2045 14.7902 14.7902 k = 0.5000 0.3026 0.2604 ( 1500 PWs) bands (ev): -5.3713 -5.3713 -5.3388 -5.3388 -4.6179 -4.6179 -4.4731 -4.4731 -4.2083 -4.2083 2.3742 2.3742 5.5118 5.5118 6.2800 6.2800 8.5650 8.5650 9.2211 9.2211 12.4177 12.4177 14.0395 14.0395 14.7751 14.7751 k = 0.5000 0.3118 0.2604 ( 1496 PWs) bands (ev): -5.3720 -5.3720 -5.3408 -5.3408 -4.6217 -4.6217 -4.4691 -4.4691 -4.2009 -4.2009 2.4694 2.4694 5.5739 5.5739 6.3774 6.3774 8.6499 8.6499 9.0150 9.0150 12.2550 12.2550 13.8794 13.8794 14.7723 14.7723 k = 0.5000 0.3210 0.2604 ( 1496 PWs) bands (ev): -5.3729 -5.3729 -5.3426 -5.3426 -4.6253 -4.6253 -4.4652 -4.4652 -4.1933 -4.1933 2.5665 2.5665 5.6355 5.6355 6.4777 6.4777 8.7204 8.7204 8.8280 8.8280 12.0851 12.0851 13.7244 13.7244 14.7788 14.7788 k = 0.5000 0.3301 0.2604 ( 1492 PWs) bands (ev): -5.3741 -5.3741 -5.3443 -5.3443 -4.6290 -4.6290 -4.4614 -4.4614 -4.1857 -4.1857 2.6652 2.6652 5.6963 5.6963 6.5806 6.5806 8.5971 8.5971 8.8393 8.8393 11.9101 11.9101 13.5749 13.5749 14.7913 14.7913 k = 0.5000 0.3393 0.2604 ( 1484 PWs) bands (ev): -5.3754 -5.3754 -5.3459 -5.3459 -4.6325 -4.6325 -4.4577 -4.4577 -4.1781 -4.1781 2.7655 2.7655 5.7560 5.7560 6.6861 6.6861 8.4065 8.4065 8.9226 8.9226 11.7321 11.7321 13.4314 13.4314 14.8035 14.8035 k = 0.5000 0.3485 0.2604 ( 1476 PWs) bands (ev): -5.3768 -5.3768 -5.3474 -5.3474 -4.6359 -4.6359 -4.4543 -4.4543 -4.1707 -4.1707 2.8669 2.8669 5.8141 5.8141 6.7939 6.7939 8.2181 8.2181 9.0084 9.0084 11.5525 11.5525 13.2943 13.2943 14.7877 14.7877 k = 0.5000 0.3576 0.2604 ( 1480 PWs) bands (ev): -5.3784 -5.3784 -5.3487 -5.3487 -4.6391 -4.6391 -4.4510 -4.4510 -4.1634 -4.1634 2.9692 2.9692 5.8702 5.8702 6.9037 6.9037 8.0349 8.0349 9.0937 9.0937 11.3727 11.3727 13.1638 13.1638 14.6938 14.6938 k = 0.5000 0.3668 0.2604 ( 1484 PWs) bands (ev): -5.3801 -5.3801 -5.3499 -5.3499 -4.6422 -4.6422 -4.4480 -4.4480 -4.1563 -4.1563 3.0718 3.0718 5.9238 5.9238 7.0150 7.0150 7.8584 7.8584 9.1777 9.1777 11.1936 11.1936 13.0405 13.0405 14.5701 14.5701 k = 0.5000 0.3760 0.2604 ( 1488 PWs) bands (ev): -5.3817 -5.3817 -5.3510 -5.3510 -4.6450 -4.6450 -4.4452 -4.4452 -4.1495 -4.1495 3.1743 3.1743 5.9743 5.9743 7.1266 7.1266 7.6904 7.6904 9.2595 9.2595 11.0166 11.0166 12.9248 12.9248 14.4452 14.4452 k = 0.5000 0.3851 0.2604 ( 1488 PWs) bands (ev): -5.3834 -5.3834 -5.3520 -5.3520 -4.6477 -4.6477 -4.4426 -4.4426 -4.1431 -4.1431 3.2760 3.2760 6.0211 6.0211 7.2339 7.2339 7.5359 7.5359 9.3385 9.3385 10.8424 10.8424 12.8171 12.8171 14.3245 14.3245 k = 0.5000 0.3943 0.2604 ( 1488 PWs) bands (ev): -5.3850 -5.3850 -5.3529 -5.3529 -4.6502 -4.6502 -4.4403 -4.4403 -4.1371 -4.1371 3.3761 3.3761 6.0634 6.0634 7.2948 7.2948 7.4378 7.4378 9.4137 9.4137 10.6722 10.6722 12.7178 12.7178 14.2102 14.2102 k = 0.5000 0.4035 0.2604 ( 1484 PWs) bands (ev): -5.3866 -5.3866 -5.3536 -5.3536 -4.6524 -4.6524 -4.4382 -4.4382 -4.1316 -4.1316 3.4734 3.4734 6.1003 6.1003 7.2025 7.2025 7.5037 7.5037 9.4842 9.4842 10.5074 10.5074 12.6275 12.6275 14.1036 14.1036 k = 0.5000 0.4127 0.2604 ( 1484 PWs) bands (ev): -5.3880 -5.3880 -5.3543 -5.3543 -4.6543 -4.6543 -4.4363 -4.4363 -4.1266 -4.1266 3.5668 3.5668 6.1308 6.1308 7.0800 7.0800 7.6113 7.6113 9.5489 9.5489 10.3494 10.3494 12.5465 12.5465 14.0060 14.0060 k = 0.5000 0.4218 0.2604 ( 1492 PWs) bands (ev): -5.3893 -5.3893 -5.3548 -5.3548 -4.6561 -4.6561 -4.4348 -4.4348 -4.1222 -4.1222 3.6547 3.6547 6.1539 6.1539 6.9670 6.9670 7.7217 7.7217 9.6061 9.6061 10.2008 10.2008 12.4752 12.4752 13.9184 13.9184 k = 0.5000 0.4310 0.2604 ( 1492 PWs) bands (ev): -5.3904 -5.3904 -5.3553 -5.3553 -4.6575 -4.6575 -4.4334 -4.4334 -4.1183 -4.1183 3.7351 3.7351 6.1687 6.1687 6.8697 6.8697 7.8289 7.8289 9.6536 9.6536 10.0652 10.0652 12.4142 12.4142 13.8419 13.8419 k = 0.5000 0.4402 0.2604 ( 1496 PWs) bands (ev): -5.3914 -5.3914 -5.3557 -5.3557 -4.6587 -4.6587 -4.4323 -4.4323 -4.1152 -4.1152 3.8060 3.8060 6.1749 6.1749 6.7912 6.7912 7.9288 7.9288 9.6863 9.6863 9.9499 9.9499 12.3636 12.3636 13.7776 13.7776 k = 0.5000 0.4493 0.2604 ( 1496 PWs) bands (ev): -5.3922 -5.3922 -5.3560 -5.3560 -4.6597 -4.6597 -4.4315 -4.4315 -4.1127 -4.1127 3.8648 3.8648 6.1736 6.1736 6.7327 6.7327 8.0169 8.0169 9.6919 9.6919 9.8709 9.8709 12.3240 12.3240 13.7264 13.7264 k = 0.5000 0.4585 0.2604 ( 1504 PWs) bands (ev): -5.3927 -5.3927 -5.3562 -5.3562 -4.6604 -4.6604 -4.4309 -4.4309 -4.1109 -4.1109 3.9091 3.9091 6.1679 6.1679 6.6935 6.6935 8.0874 8.0874 9.6617 9.6617 9.8417 9.8417 12.2955 12.2955 13.6891 13.6891 k = 0.5000 0.4677 0.2604 ( 1504 PWs) bands (ev): -5.3930 -5.3930 -5.3564 -5.3564 -4.6608 -4.6608 -4.4305 -4.4305 -4.1098 -4.1098 3.9367 3.9367 6.1620 6.1620 6.6715 6.6715 8.1336 8.1336 9.6249 9.6249 9.8392 9.8392 12.2783 12.2783 13.6665 13.6665 k = 0.5000 0.4769 0.2604 ( 1504 PWs) bands (ev): -5.3932 -5.3932 -5.3564 -5.3564 -4.6609 -4.6609 -4.4304 -4.4304 -4.1094 -4.1094 3.9461 3.9461 6.1596 6.1596 6.6645 6.6645 8.1498 8.1498 9.6100 9.6100 9.8402 9.8402 12.2725 12.2725 13.6589 13.6589 k = 0.5000 0.4769 0.2604 ( 1504 PWs) bands (ev): -5.3932 -5.3932 -5.3564 -5.3564 -4.6609 -4.6609 -4.4304 -4.4304 -4.1094 -4.1094 3.9461 3.9461 6.1596 6.1596 6.6645 6.6645 8.1498 8.1498 9.6100 9.6100 9.8402 9.8402 12.2725 12.2725 13.6589 13.6589 k = 0.4907 0.4769 0.2604 ( 1504 PWs) bands (ev): -5.3931 -5.3930 -5.3564 -5.3562 -4.6609 -4.6606 -4.4305 -4.4303 -4.1100 -4.1099 3.9333 3.9363 6.1560 6.1803 6.6559 6.6776 8.1318 8.1535 9.4729 9.6118 9.8544 9.9736 12.2790 12.2792 13.6656 13.6666 k = 0.4815 0.4769 0.2604 ( 1504 PWs) bands (ev): -5.3928 -5.3926 -5.3563 -5.3559 -4.6606 -4.6599 -4.4307 -4.4304 -4.1117 -4.1116 3.8988 3.9045 6.1671 6.2159 6.6530 6.6970 8.0998 8.1425 9.3242 9.4886 10.0053 10.1312 12.2986 12.2989 13.6865 13.6885 k = 0.4722 0.4769 0.2604 ( 1504 PWs) bands (ev): -5.3922 -5.3920 -5.3559 -5.3554 -4.6599 -4.6589 -4.4310 -4.4306 -4.1145 -4.1143 3.8451 3.8530 6.1862 6.2589 6.6611 6.7273 8.0547 8.1169 9.1789 9.3558 10.1773 10.2981 12.3310 12.3315 13.7214 13.7244 k = 0.4630 0.4769 0.2604 ( 1500 PWs) bands (ev): -5.3915 -5.3912 -5.3554 -5.3548 -4.6590 -4.6576 -4.4314 -4.4309 -4.1185 -4.1182 3.7750 3.7847 6.2046 6.2960 6.6908 6.7745 7.9975 8.0769 9.0400 9.2260 10.3570 10.4717 12.3760 12.3767 13.7698 13.7738 k = 0.4537 0.4769 0.2604 ( 1500 PWs) bands (ev): -5.3906 -5.3902 -5.3548 -5.3540 -4.6577 -4.6560 -4.4319 -4.4312 -4.1235 -4.1231 3.6921 3.7029 6.2141 6.3133 6.7525 6.8437 7.9295 8.0231 8.9083 9.1008 10.5421 10.6509 12.4333 12.4342 13.8311 13.8363 k = 0.4444 0.4769 0.2604 ( 1504 PWs) bands (ev): -5.3895 -5.3890 -5.3539 -5.3530 -4.6561 -4.6540 -4.4324 -4.4317 -4.1295 -4.1290 3.5992 3.6108 6.2102 6.3069 6.8474 6.9365 7.8525 7.9565 8.7841 8.9804 10.7316 10.8354 12.5024 12.5034 13.9048 13.9110 k = 0.4352 0.4769 0.2604 ( 1500 PWs) bands (ev): -5.3882 -5.3876 -5.3529 -5.3519 -4.6541 -4.6518 -4.4331 -4.4322 -4.1365 -4.1360 3.4990 3.5110 6.1924 6.2815 6.9678 7.0507 7.7688 7.8790 8.6671 8.8642 10.9249 11.0245 12.5828 12.5840 13.9899 13.9972 k = 0.4259 0.4769 0.2604 ( 1500 PWs) bands (ev): -5.3869 -5.3861 -5.3517 -5.3506 -4.6519 -4.6493 -4.4339 -4.4329 -4.1445 -4.1438 3.3936 3.4057 6.1625 6.2429 7.1039 7.1817 7.6822 7.7935 8.5566 8.7519 11.1215 11.2179 12.6739 12.6753 14.0854 14.0936 k = 0.4167 0.4769 0.2604 ( 1500 PWs) bands (ev): -5.3855 -5.3846 -5.3503 -5.3492 -4.6494 -4.6465 -4.4347 -4.4336 -4.1533 -4.1526 3.2846 3.2968 6.1226 6.1950 7.2423 7.3215 7.6025 7.7060 8.4518 8.6429 11.3210 11.4153 12.7752 12.7768 14.1902 14.1987 k = 0.4074 0.4769 0.2604 ( 1500 PWs) bands (ev): -5.3840 -5.3829 -5.3487 -5.3476 -4.6466 -4.6434 -4.4356 -4.4344 -4.1629 -4.1621 3.1735 3.1855 6.0749 6.1402 7.3347 7.4399 7.5758 7.6457 8.3519 8.5369 11.5228 11.6162 12.8861 12.8879 14.3021 14.3097 k = 0.3981 0.4769 0.2604 ( 1500 PWs) bands (ev): -5.3826 -5.3813 -5.3470 -5.3458 -4.6436 -4.6401 -4.4366 -4.4352 -4.1733 -4.1724 3.0613 3.0730 6.0208 6.0802 7.3027 7.4286 7.6790 7.7196 8.2567 8.4341 11.7265 11.8202 13.0061 13.0080 14.4169 14.4196 k = 0.3889 0.4769 0.2604 ( 1500 PWs) bands (ev): -5.3811 -5.3796 -5.3451 -5.3439 -4.6403 -4.6366 -4.4377 -4.4362 -4.1844 -4.1833 2.9488 2.9602 5.9616 6.0160 7.2145 7.3367 7.8415 7.8740 8.1702 8.3361 11.9312 12.0268 13.1344 13.1365 14.5053 14.5200 k = 0.3796 0.4769 0.2604 ( 1500 PWs) bands (ev): -5.3797 -5.3779 -5.3430 -5.3419 -4.6368 -4.6329 -4.4388 -4.4372 -4.1960 -4.1948 2.8366 2.8477 5.8984 5.9485 7.1137 7.2305 7.9921 8.0078 8.1423 8.2544 12.1359 12.2354 13.2707 13.2729 14.5227 14.5683 k = 0.3704 0.4769 0.2604 ( 1500 PWs) bands (ev): -5.3783 -5.3763 -5.3408 -5.3398 -4.6331 -4.6290 -4.4400 -4.4383 -4.2081 -4.2068 2.7253 2.7360 5.8319 5.8784 7.0093 7.1207 7.9456 8.0709 8.2870 8.2901 12.3394 12.4451 13.4142 13.4164 14.4852 14.5505 k = 0.3611 0.4769 0.2604 ( 1500 PWs) bands (ev): -5.3771 -5.3748 -5.3385 -5.3377 -4.6292 -4.6249 -4.4412 -4.4394 -4.2205 -4.2191 2.6152 2.6256 5.7630 5.8062 6.9038 7.0100 7.8611 7.9988 8.4630 8.4844 12.5394 12.6545 13.5644 13.5666 14.4305 14.5117 k = 0.3519 0.4769 0.2604 ( 1496 PWs) bands (ev): -5.3759 -5.3734 -5.3362 -5.3354 -4.6252 -4.6208 -4.4425 -4.4406 -4.2332 -4.2317 2.5067 2.5167 5.6921 5.7324 6.7987 6.8999 7.7726 7.9069 8.6659 8.6896 12.7330 12.8615 13.7206 13.7226 14.3739 14.4734 k = 0.3426 0.4769 0.2604 ( 1496 PWs) bands (ev): -5.3748 -5.3721 -5.3339 -5.3333 -4.6210 -4.6166 -4.4438 -4.4419 -4.2461 -4.2444 2.4001 2.4096 5.6197 5.6576 6.6947 6.7910 7.6834 7.8123 8.8777 8.9016 12.9153 13.0623 13.8821 13.8832 14.3235 14.4457 k = 0.3333 0.4769 0.2604 ( 1496 PWs) bands (ev): -5.3738 -5.3708 -5.3317 -5.3311 -4.6169 -4.6124 -4.4451 -4.4432 -4.2589 -4.2571 2.2955 2.3047 5.5464 5.5821 6.5921 6.6839 7.5946 7.7175 9.0956 9.1189 13.0793 13.2496 14.0456 14.0477 14.2902 14.4375 k = 0.3241 0.4769 0.2604 ( 1496 PWs) bands (ev): -5.3729 -5.3698 -5.3296 -5.3291 -4.6127 -4.6083 -4.4464 -4.4445 -4.2716 -4.2696 2.1931 2.2019 5.4726 5.5062 6.4915 6.5789 7.5064 7.6235 9.3182 9.3410 13.2156 13.4099 14.1943 14.2156 14.3026 14.4602 k = 0.3148 0.4769 0.2604 ( 1496 PWs) bands (ev): -5.3721 -5.3688 -5.3276 -5.3273 -4.6086 -4.6042 -4.4477 -4.4459 -4.2840 -4.2819 2.0930 2.1015 5.3985 5.4302 6.3931 6.4763 7.4191 7.5305 9.5450 9.5673 13.3145 13.5231 14.2863 14.3819 14.4225 14.5258 k = 0.3056 0.4769 0.2604 ( 1504 PWs) bands (ev): -5.3715 -5.3680 -5.3259 -5.3257 -4.6046 -4.6004 -4.4490 -4.4473 -4.2961 -4.2938 1.9955 2.0036 5.3245 5.3545 6.2969 6.3763 7.3329 7.4389 9.7755 9.7975 13.3717 13.5750 14.3948 14.5414 14.5883 14.6416 k = 0.2963 0.4769 0.2604 ( 1504 PWs) bands (ev): -5.3709 -5.3673 -5.3245 -5.3243 -4.6008 -4.5968 -4.4502 -4.4487 -4.3075 -4.3052 1.9005 1.9083 5.2508 5.2793 6.2033 6.2790 7.2479 7.3489 10.0095 10.0312 13.3910 13.5747 14.5482 14.6972 14.7572 14.7951 k = 0.2870 0.4769 0.2604 ( 1508 PWs) bands (ev): -5.3705 -5.3667 -5.3234 -5.3233 -4.5972 -4.5935 -4.4513 -4.4501 -4.3182 -4.3159 1.8082 1.8157 5.1778 5.2049 6.1124 6.1845 7.1644 7.2604 10.2466 10.2682 13.3817 13.5423 14.7244 14.8495 14.9186 14.9653 k = 0.2778 0.4769 0.2604 ( 1516 PWs) bands (ev): -5.3702 -5.3663 -5.3227 -5.3227 -4.5940 -4.5906 -4.4523 -4.4516 -4.3281 -4.3257 1.7186 1.7257 5.1057 5.1313 6.0242 6.0929 7.0824 7.1738 10.4864 10.5082 13.3530 13.4929 14.8850 14.9677 15.0722 15.1487 k = 0.2685 0.4769 0.2604 ( 1520 PWs) bands (ev): -5.3701 -5.3661 -5.3225 -5.3224 -4.5912 -4.5882 -4.4533 -4.4530 -4.3370 -4.3346 1.6318 1.6385 5.0345 5.0589 5.9387 6.0043 7.0021 7.0891 10.7288 10.7509 13.3121 13.4350 14.9674 15.0157 15.2485 15.3485 k = 0.2593 0.4769 0.2604 ( 1528 PWs) bands (ev): -5.3701 -5.3660 -5.3227 -5.3225 -4.5888 -4.5863 -4.4545 -4.4541 -4.3447 -4.3425 1.5477 1.5542 4.9647 4.9878 5.8561 5.9186 6.9236 7.0064 10.9732 10.9958 13.2639 13.3731 14.9674 15.0024 15.4554 15.5602 k = 0.2500 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.3703 -5.3661 -5.3234 -5.3231 -4.5868 -4.5849 -4.4559 -4.4549 -4.3513 -4.3491 1.4665 1.4727 4.8962 4.9182 5.7764 5.8359 6.8470 6.9258 11.2193 11.2426 13.2116 13.3098 14.9265 14.9575 15.6740 15.7776 k = 0.2407 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.3706 -5.3664 -5.3246 -5.3242 -4.5854 -4.5841 -4.4573 -4.4556 -4.3565 -4.3546 1.3882 1.3941 4.8292 4.8502 5.6997 5.7563 6.7725 6.8474 11.4662 11.4905 13.1578 13.2471 14.8686 14.8994 15.8944 15.9959 k = 0.2315 0.4769 0.2604 ( 1528 PWs) bands (ev): -5.3712 -5.3669 -5.3261 -5.3258 -4.5844 -4.5837 -4.4588 -4.4562 -4.3605 -4.3587 1.3128 1.3184 4.7640 4.7838 5.6258 5.6798 6.7002 6.7713 11.7128 11.7385 13.1046 13.1868 14.8034 14.8363 16.1102 16.2100 k = 0.2222 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.3720 -5.3678 -5.3281 -5.3277 -4.5839 -4.5837 -4.4602 -4.4570 -4.3632 -4.3616 1.2403 1.2456 4.7005 4.7194 5.5550 5.6062 6.6301 6.6976 11.9572 11.9845 13.0545 13.1313 14.7355 14.7719 16.3152 16.4137 k = 0.2130 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.3731 -5.3689 -5.3305 -5.3301 -4.5841 -4.5838 -4.4616 -4.4578 -4.3646 -4.3632 1.1707 1.1758 4.6390 4.6569 5.4871 5.5357 6.5623 6.6263 12.1950 12.2241 13.0121 13.0854 14.6671 14.7085 16.5014 16.5976 k = 0.2037 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.3746 -5.3705 -5.3330 -5.3327 -4.5847 -4.5840 -4.4630 -4.4586 -4.3649 -4.3637 1.1041 1.1089 4.5795 4.5964 5.4221 5.4683 6.4969 6.5576 12.4146 12.4451 12.9887 13.0609 14.5993 14.6478 16.6593 16.7507 k = 0.1944 0.4769 0.2604 ( 1524 PWs) bands (ev): -5.3764 -5.3725 -5.3357 -5.3355 -4.5855 -4.5844 -4.4644 -4.4596 -4.3642 -4.3630 1.0405 1.0450 4.5221 4.5381 5.3602 5.4039 6.4340 6.4915 12.5829 12.6144 13.0166 13.0911 14.5332 14.5911 16.7807 16.8637 k = 0.1852 0.4769 0.2604 ( 1524 PWs) bands (ev): -5.3788 -5.3752 -5.3384 -5.3383 -4.5864 -4.5849 -4.4657 -4.4607 -4.3626 -4.3615 0.9798 0.9840 4.4669 4.4821 5.3012 5.3425 6.3737 6.4280 12.6534 12.6873 13.1408 13.2204 14.4692 14.5406 16.8634 16.9357 k = 0.1759 0.4769 0.2604 ( 1524 PWs) bands (ev): -5.3818 -5.3784 -5.3410 -5.3410 -4.5872 -4.5855 -4.4671 -4.4619 -4.3603 -4.3591 0.9220 0.9260 4.4140 4.4283 5.2451 5.2842 6.3160 6.3672 12.6510 12.6864 13.3332 13.4257 14.4081 14.4995 16.9124 16.9740 k = 0.1667 0.4769 0.2604 ( 1520 PWs) bands (ev): -5.3854 -5.3823 -5.3436 -5.3433 -4.5879 -4.5861 -4.4683 -4.4632 -4.3573 -4.3561 0.8673 0.8710 4.3635 4.3769 5.1921 5.2288 6.2611 6.3092 12.6220 12.6569 13.5411 13.6604 14.3511 14.4744 16.9363 16.9886 k = 0.1574 0.4769 0.2604 ( 1524 PWs) bands (ev): -5.3895 -5.3868 -5.3459 -5.3454 -4.5885 -4.5865 -4.4695 -4.4644 -4.3538 -4.3526 0.8155 0.8190 4.3153 4.3279 5.1420 5.1765 6.2088 6.2540 12.5845 12.6179 13.7327 13.9011 14.3025 14.4790 16.9435 16.9882 k = 0.1481 0.4769 0.2604 ( 1528 PWs) bands (ev): -5.3943 -5.3919 -5.3479 -5.3472 -4.5889 -4.5869 -4.4707 -4.4657 -4.3500 -4.3488 0.7667 0.7699 4.2697 4.2815 5.0948 5.1271 6.1594 6.2017 12.5445 12.5760 13.8778 14.1081 14.2950 14.5369 16.9400 16.9786 k = 0.1389 0.4769 0.2604 ( 1528 PWs) bands (ev): -5.3995 -5.3974 -5.3496 -5.3488 -4.5892 -4.5871 -4.4718 -4.4670 -4.3460 -4.3447 0.7208 0.7239 4.2266 4.2376 5.0506 5.0808 6.1128 6.1523 12.5044 12.5338 13.9556 14.1449 14.4619 14.6665 16.9300 16.9636 k = 0.1296 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.4050 -5.4032 -5.3510 -5.3501 -4.5892 -4.5872 -4.4728 -4.4683 -4.3418 -4.3405 0.6780 0.6808 4.1860 4.1962 5.0093 5.0374 6.0691 6.1058 12.4655 12.4928 13.9788 14.1095 14.7035 14.8531 16.9162 16.9456 k = 0.1204 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.4107 -5.4092 -5.3523 -5.3512 -4.5891 -4.5871 -4.4738 -4.4695 -4.3375 -4.3362 0.6381 0.6407 4.1481 4.1576 4.9710 4.9969 6.0284 6.0622 12.4283 12.4534 13.9730 14.0677 14.9523 15.0699 16.9003 16.9261 k = 0.1111 0.4769 0.2604 ( 1528 PWs) bands (ev): -5.4166 -5.4152 -5.3533 -5.3522 -4.5888 -4.5868 -4.4746 -4.4706 -4.3333 -4.3320 0.6011 0.6035 4.1129 4.1216 4.9356 4.9594 5.9906 6.0217 12.3932 12.4162 13.9544 14.0266 15.1998 15.2993 16.8835 16.9063 k = 0.1019 0.4769 0.2604 ( 1528 PWs) bands (ev): -5.4223 -5.4212 -5.3541 -5.3530 -4.5884 -4.5865 -4.4754 -4.4717 -4.3291 -4.3279 0.5672 0.5694 4.0804 4.0883 4.9031 4.9249 5.9559 5.9843 12.3605 12.3814 13.9307 13.9876 15.4428 15.5323 16.8667 16.8868 k = 0.0926 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.4280 -5.4270 -5.3549 -5.3538 -4.5879 -4.5861 -4.4761 -4.4727 -4.3252 -4.3240 0.5362 0.5382 4.0506 4.0578 4.8736 4.8933 5.9241 5.9499 12.3303 12.3492 13.9054 13.9515 15.6785 15.7633 16.8504 16.8680 k = 0.0833 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.4334 -5.4325 -5.3555 -5.3545 -4.5873 -4.5856 -4.4767 -4.4736 -4.3214 -4.3203 0.5082 0.5100 4.0237 4.0301 4.8469 4.8646 5.8955 5.9186 12.3028 12.3197 13.8806 13.9183 15.9041 15.9883 16.8350 16.8504 k = 0.0741 0.4769 0.2604 ( 1528 PWs) bands (ev): -5.4385 -5.4377 -5.3560 -5.3550 -4.5866 -4.5851 -4.4773 -4.4745 -4.3179 -4.3169 0.4832 0.4847 3.9995 4.0052 4.8232 4.8389 5.8699 5.8904 12.2781 12.2930 13.8572 13.8883 16.1154 16.2030 16.8208 16.8341 k = 0.0648 0.4769 0.2604 ( 1524 PWs) bands (ev): -5.4431 -5.4425 -5.3564 -5.3556 -4.5859 -4.5846 -4.4777 -4.4752 -4.3147 -4.3138 0.4611 0.4624 3.9781 3.9831 4.8024 4.8161 5.8474 5.8653 12.2563 12.2693 13.8359 13.8615 16.3070 16.4018 16.8080 16.8194 k = 0.0556 0.4769 0.2604 ( 1524 PWs) bands (ev): -5.4473 -5.4468 -5.3568 -5.3560 -4.5853 -4.5841 -4.4781 -4.4759 -4.3119 -4.3110 0.4419 0.4431 3.9596 3.9639 4.7844 4.7962 5.8281 5.8434 12.2374 12.2484 13.8172 13.8381 16.4704 16.5750 16.7967 16.8063 k = 0.0463 0.4769 0.2604 ( 1520 PWs) bands (ev): -5.4509 -5.4505 -5.3570 -5.3564 -4.5847 -4.5837 -4.4783 -4.4765 -4.3094 -4.3087 0.4258 0.4267 3.9440 3.9475 4.7694 4.7792 5.8119 5.8246 12.2214 12.2306 13.8012 13.8179 16.5955 16.7016 16.7872 16.7949 k = 0.0370 0.4769 0.2604 ( 1524 PWs) bands (ev): -5.4539 -5.4536 -5.3573 -5.3567 -4.5841 -4.5833 -4.4785 -4.4771 -4.3073 -4.3067 0.4126 0.4133 3.9313 3.9341 4.7573 4.7651 5.7988 5.8090 12.2085 12.2158 13.7882 13.8012 16.6773 16.7624 16.7794 16.7855 k = 0.0278 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.4563 -5.4561 -5.3574 -5.3570 -4.5836 -4.5830 -4.4786 -4.4775 -4.3057 -4.3052 0.4023 0.4029 3.9214 3.9235 4.7481 4.7540 5.7890 5.7966 12.1986 12.2041 13.7783 13.7878 16.7238 16.7736 16.7776 16.7809 k = 0.0185 0.4769 0.2604 ( 1536 PWs) bands (ev): -5.4580 -5.4579 -5.3575 -5.3572 -4.5832 -4.5828 -4.4787 -4.4779 -4.3044 -4.3041 0.3950 0.3954 3.9145 3.9159 4.7418 4.7457 5.7823 5.7873 12.1918 12.1954 13.7715 13.7778 16.7492 16.7698 16.7720 16.7835 k = 0.0093 0.4769 0.2604 ( 1536 PWs) bands (ev): -5.4590 -5.4590 -5.3575 -5.3574 -4.5830 -4.5828 -4.4786 -4.4782 -4.3037 -4.3035 0.3907 0.3909 3.9104 3.9111 4.7385 4.7404 5.7787 5.7813 12.1880 12.1899 13.7681 13.7712 16.7626 16.7682 16.7692 16.7806 k = 0.0000 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.4594 -5.4594 -5.3575 -5.3575 -4.5828 -4.5828 -4.4784 -4.4784 -4.3034 -4.3034 0.3893 0.3893 3.9093 3.9093 4.7380 4.7380 5.7784 5.7784 12.1874 12.1874 13.7680 13.7680 16.7660 16.7660 16.7750 16.7750 k = 0.0000 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.4594 -5.4594 -5.3575 -5.3575 -4.5828 -4.5828 -4.4784 -4.4784 -4.3034 -4.3034 0.3893 0.3893 3.9093 3.9093 4.7380 4.7380 5.7784 5.7784 12.1874 12.1874 13.7680 13.7680 16.7660 16.7660 16.7750 16.7750 k = 0.0000 0.4677 0.2604 ( 1536 PWs) bands (ev): -5.4594 -5.4594 -5.3574 -5.3574 -4.5827 -4.5827 -4.4786 -4.4786 -4.3035 -4.3035 0.3830 0.3830 3.9186 3.9186 4.7128 4.7128 5.8065 5.8065 12.1842 12.1842 13.7609 13.7609 16.7725 16.7725 16.7841 16.7841 k = 0.0000 0.4585 0.2604 ( 1536 PWs) bands (ev): -5.4594 -5.4594 -5.3573 -5.3573 -4.5825 -4.5825 -4.4791 -4.4791 -4.3037 -4.3037 0.3641 0.3641 3.9462 3.9462 4.6443 4.6443 5.8839 5.8839 12.1747 12.1747 13.7398 13.7398 16.7918 16.7918 16.8113 16.8113 k = 0.0000 0.4493 0.2604 ( 1532 PWs) bands (ev): -5.4596 -5.4596 -5.3571 -5.3571 -4.5821 -4.5821 -4.4799 -4.4799 -4.3041 -4.3041 0.3334 0.3334 3.9913 3.9913 4.5467 4.5467 5.9966 5.9966 12.1591 12.1591 13.7057 13.7057 16.8236 16.8236 16.8557 16.8557 k = 0.0000 0.4402 0.2604 ( 1532 PWs) bands (ev): -5.4597 -5.4597 -5.3569 -5.3569 -4.5815 -4.5815 -4.4809 -4.4809 -4.3047 -4.3047 0.2917 0.2917 4.0519 4.0519 4.4331 4.4331 6.1323 6.1323 12.1378 12.1378 13.6595 13.6595 16.8670 16.8670 16.9154 16.9154 k = 0.0000 0.4310 0.2604 ( 1536 PWs) bands (ev): -5.4599 -5.4599 -5.3565 -5.3565 -4.5807 -4.5807 -4.4824 -4.4824 -4.3054 -4.3054 0.2402 0.2402 4.1214 4.1214 4.3168 4.3168 6.2831 6.2831 12.1113 12.1113 13.6029 13.6029 16.9206 16.9206 16.9871 16.9871 k = 0.0000 0.4218 0.2604 ( 1536 PWs) bands (ev): -5.4602 -5.4602 -5.3562 -5.3562 -4.5799 -4.5799 -4.4841 -4.4841 -4.3062 -4.3062 0.1801 0.1801 4.1337 4.1337 4.2676 4.2676 6.4443 6.4443 12.0800 12.0800 13.5372 13.5372 16.9805 16.9805 17.0635 17.0635 k = 0.0000 0.4127 0.2604 ( 1536 PWs) bands (ev): -5.4605 -5.4605 -5.3557 -5.3557 -4.5788 -4.5788 -4.4861 -4.4861 -4.3070 -4.3070 0.1128 0.1128 4.0230 4.0230 4.3526 4.3526 6.6128 6.6128 12.0447 12.0447 13.4640 13.4640 17.0312 17.0312 17.1300 17.1300 k = 0.0000 0.4035 0.2604 ( 1536 PWs) bands (ev): -5.4608 -5.4608 -5.3553 -5.3553 -4.5776 -4.5776 -4.4884 -4.4884 -4.3080 -4.3080 0.0394 0.0394 3.8937 3.8937 4.4678 4.4678 6.7869 6.7869 12.0060 12.0060 13.3847 13.3847 17.0404 17.0404 17.1997 17.1997 k = 0.0000 0.3943 0.2604 ( 1538 PWs) bands (ev): -5.4613 -5.4613 -5.3548 -5.3548 -4.5763 -4.5763 -4.4910 -4.4910 -4.3090 -4.3090 -0.0388 -0.0388 3.7624 3.7624 4.5967 4.5967 6.9653 6.9653 11.9648 11.9648 13.3005 13.3005 17.0140 17.0140 17.2912 17.2912 k = 0.0000 0.3851 0.2604 ( 1532 PWs) bands (ev): -5.4618 -5.4618 -5.3543 -5.3543 -4.5749 -4.5749 -4.4939 -4.4939 -4.3099 -4.3099 -0.1209 -0.1209 3.6316 3.6316 4.7365 4.7365 7.1469 7.1469 11.9217 11.9217 13.2127 13.2127 16.9725 16.9725 17.3973 17.3973 k = 0.0000 0.3760 0.2604 ( 1528 PWs) bands (ev): -5.4623 -5.4623 -5.3538 -5.3538 -4.5734 -4.5734 -4.4970 -4.4970 -4.3109 -4.3109 -0.2059 -0.2059 3.5022 3.5022 4.8855 4.8855 7.3310 7.3310 11.8776 11.8776 13.1221 13.1221 16.9233 16.9233 17.5143 17.5143 k = 0.0000 0.3668 0.2604 ( 1528 PWs) bands (ev): -5.4630 -5.4630 -5.3533 -5.3533 -4.5718 -4.5718 -4.5004 -4.5004 -4.3117 -4.3117 -0.2931 -0.2931 3.3749 3.3749 5.0429 5.0429 7.5170 7.5170 11.8333 11.8333 13.0296 13.0296 16.8693 16.8693 17.6404 17.6404 k = 0.0000 0.3576 0.2604 ( 1520 PWs) bands (ev): -5.4637 -5.4637 -5.3529 -5.3529 -4.5701 -4.5701 -4.5040 -4.5040 -4.3125 -4.3125 -0.3816 -0.3816 3.2499 3.2499 5.2079 5.2079 7.7040 7.7040 11.7897 11.7897 12.9360 12.9360 16.8117 16.8117 17.7747 17.7747 k = 0.0000 0.3485 0.2604 ( 1518 PWs) bands (ev): -5.4645 -5.4645 -5.3526 -5.3526 -4.5683 -4.5683 -4.5079 -4.5079 -4.3132 -4.3132 -0.4710 -0.4710 3.1275 3.1275 5.3796 5.3796 7.8915 7.8915 11.7478 11.7478 12.8417 12.8417 16.7514 16.7514 17.9165 17.9165 k = 0.0000 0.3393 0.2604 ( 1518 PWs) bands (ev): -5.4654 -5.4654 -5.3523 -5.3523 -4.5665 -4.5665 -4.5118 -4.5118 -4.3137 -4.3137 -0.5608 -0.5608 3.0079 3.0079 5.5577 5.5577 8.0786 8.0786 11.7087 11.7087 12.7474 12.7474 16.6889 16.6889 18.0652 18.0652 k = 0.0000 0.3301 0.2604 ( 1528 PWs) bands (ev): -5.4664 -5.4664 -5.3522 -5.3522 -4.5647 -4.5647 -4.5159 -4.5159 -4.3141 -4.3141 -0.6504 -0.6504 2.8911 2.8911 5.7414 5.7414 8.2643 8.2643 11.6734 11.6734 12.6535 12.6535 16.6249 16.6249 18.2204 18.2204 k = 0.0000 0.3210 0.2604 ( 1528 PWs) bands (ev): -5.4676 -5.4676 -5.3521 -5.3521 -4.5630 -4.5630 -4.5200 -4.5200 -4.3143 -4.3143 -0.7395 -0.7395 2.7774 2.7774 5.9305 5.9305 8.4475 8.4475 11.6433 11.6433 12.5604 12.5604 16.5596 16.5596 18.3815 18.3815 k = 0.0000 0.3118 0.2604 ( 1528 PWs) bands (ev): -5.4688 -5.4688 -5.3522 -5.3522 -4.5612 -4.5612 -4.5241 -4.5241 -4.3143 -4.3143 -0.8278 -0.8278 2.6667 2.6667 6.1245 6.1245 8.6269 8.6269 11.6200 11.6200 12.4685 12.4685 16.4936 16.4936 18.5483 18.5483 k = 0.0000 0.3026 0.2604 ( 1528 PWs) bands (ev): -5.4701 -5.4701 -5.3525 -5.3525 -4.5596 -4.5596 -4.5281 -4.5281 -4.3141 -4.3141 -0.9150 -0.9150 2.5592 2.5592 6.3230 6.3230 8.8007 8.8007 11.6052 11.6052 12.3781 12.3781 16.4270 16.4270 18.7202 18.7202 k = 0.0000 0.2934 0.2604 ( 1528 PWs) bands (ev): -5.4716 -5.4716 -5.3529 -5.3529 -4.5582 -4.5582 -4.5319 -4.5319 -4.3136 -4.3136 -1.0010 -1.0010 2.4548 2.4548 6.5257 6.5257 8.9672 8.9672 11.6010 11.6010 12.2895 12.2895 16.3603 16.3603 18.8969 18.8969 k = 0.0000 0.2843 0.2604 ( 1524 PWs) bands (ev): -5.4732 -5.4732 -5.3535 -5.3535 -4.5571 -4.5571 -4.5353 -4.5353 -4.3130 -4.3130 -1.0854 -1.0854 2.3536 2.3536 6.7323 6.7323 9.1239 9.1239 11.6096 11.6096 12.2032 12.2032 16.2937 16.2937 19.0780 19.0780 k = 0.0000 0.2751 0.2604 ( 1516 PWs) bands (ev): -5.4750 -5.4750 -5.3542 -5.3542 -4.5565 -4.5565 -4.5381 -4.5381 -4.3121 -4.3121 -1.1682 -1.1682 2.2557 2.2557 6.9425 6.9425 9.2683 9.2683 11.6332 11.6332 12.1198 12.1198 16.2274 16.2274 19.2628 19.2628 k = 0.0000 0.2659 0.2604 ( 1516 PWs) bands (ev): -5.4768 -5.4768 -5.3552 -5.3552 -4.5568 -4.5568 -4.5399 -4.5399 -4.3111 -4.3111 -1.2491 -1.2491 2.1610 2.1610 7.1560 7.1560 9.3981 9.3981 11.6734 11.6734 12.0407 12.0407 16.1617 16.1617 19.4507 19.4507 k = 0.0000 0.2568 0.2604 ( 1510 PWs) bands (ev): -5.4789 -5.4789 -5.3564 -5.3564 -4.5580 -4.5580 -4.5407 -4.5407 -4.3098 -4.3098 -1.3281 -1.3281 2.0696 2.0696 7.3725 7.3725 9.5110 9.5110 11.7285 11.7285 11.9698 11.9698 16.0968 16.0968 19.6020 19.6020 k = 0.0000 0.2476 0.2604 ( 1514 PWs) bands (ev): -5.4811 -5.4811 -5.3577 -5.3577 -4.5599 -4.5599 -4.5405 -4.5405 -4.3083 -4.3083 -1.4050 -1.4050 1.9815 1.9815 7.5915 7.5915 9.6058 9.6058 11.7786 11.7786 11.9289 11.9289 16.0330 16.0330 19.6569 19.6569 k = 0.0000 0.2384 0.2604 ( 1514 PWs) bands (ev): -5.4834 -5.4834 -5.3592 -5.3592 -4.5623 -4.5623 -4.5398 -4.5398 -4.3066 -4.3066 -1.4797 -1.4797 1.8967 1.8967 7.8128 7.8128 9.6820 9.6820 11.7622 11.7622 11.9800 11.9800 15.9703 15.9703 19.6823 19.6823 k = 0.0000 0.2293 0.2604 ( 1510 PWs) bands (ev): -5.4859 -5.4859 -5.3609 -5.3609 -4.5647 -4.5647 -4.5388 -4.5388 -4.3047 -4.3047 -1.5522 -1.5522 1.8152 1.8152 8.0358 8.0358 9.7407 9.7407 11.7050 11.7050 12.0971 12.0971 15.9090 15.9090 19.6838 19.6838 k = 0.0000 0.2201 0.2604 ( 1510 PWs) bands (ev): -5.4886 -5.4886 -5.3628 -5.3628 -4.5670 -4.5670 -4.5376 -4.5376 -4.3026 -4.3026 -1.6223 -1.6223 1.7369 1.7369 8.2600 8.2600 9.7837 9.7837 11.6420 11.6420 12.2436 12.2436 15.8491 15.8491 19.6684 19.6684 k = 0.0000 0.2109 0.2604 ( 1514 PWs) bands (ev): -5.4914 -5.4914 -5.3648 -5.3648 -4.5691 -4.5691 -4.5364 -4.5364 -4.3004 -4.3004 -1.6900 -1.6900 1.6620 1.6620 8.4845 8.4845 9.8136 9.8136 11.5803 11.5803 12.4106 12.4106 15.7910 15.7910 19.6418 19.6418 k = 0.0000 0.2017 0.2604 ( 1514 PWs) bands (ev): -5.4944 -5.4944 -5.3669 -5.3669 -4.5710 -4.5710 -4.5352 -4.5352 -4.2981 -4.2981 -1.7553 -1.7553 1.5904 1.5904 8.7082 8.7082 9.8333 9.8333 11.5219 11.5219 12.5942 12.5942 15.7346 15.7346 19.6078 19.6078 k = 0.0000 0.1926 0.2604 ( 1514 PWs) bands (ev): -5.4976 -5.4976 -5.3690 -5.3690 -4.5726 -4.5726 -4.5340 -4.5340 -4.2956 -4.2956 -1.8180 -1.8180 1.5220 1.5220 8.9291 8.9291 9.8463 9.8463 11.4682 11.4682 12.7912 12.7912 15.6801 15.6801 19.5690 19.5690 k = 0.0000 0.1834 0.2604 ( 1510 PWs) bands (ev): -5.5008 -5.5008 -5.3713 -5.3713 -4.5739 -4.5739 -4.5328 -4.5328 -4.2930 -4.2930 -1.8782 -1.8782 1.4570 1.4570 9.1441 9.1441 9.8567 9.8567 11.4203 11.4203 12.9995 12.9995 15.6277 15.6277 19.5270 19.5270 k = 0.0000 0.1742 0.2604 ( 1506 PWs) bands (ev): -5.5043 -5.5043 -5.3735 -5.3735 -4.5750 -4.5750 -4.5318 -4.5318 -4.2903 -4.2903 -1.9357 -1.9357 1.3952 1.3952 9.3458 9.3458 9.8718 9.8718 11.3798 11.3798 13.2171 13.2171 15.5774 15.5774 19.4825 19.4825 k = 0.0000 0.1651 0.2604 ( 1508 PWs) bands (ev): -5.5078 -5.5078 -5.3758 -5.3758 -4.5757 -4.5757 -4.5308 -4.5308 -4.2875 -4.2875 -1.9906 -1.9906 1.3366 1.3366 9.5178 9.5178 9.9070 9.9070 11.3490 11.3490 13.4423 13.4423 15.5293 15.5293 19.4359 19.4359 k = 0.0000 0.1559 0.2604 ( 1516 PWs) bands (ev): -5.5114 -5.5114 -5.3781 -5.3781 -4.5762 -4.5762 -4.5298 -4.5298 -4.2847 -4.2847 -2.0428 -2.0428 1.2814 1.2814 9.6299 9.6299 9.9897 9.9897 11.3315 11.3315 13.6738 13.6738 15.4836 15.4836 19.3868 19.3868 k = 0.0000 0.1467 0.2604 ( 1516 PWs) bands (ev): -5.5151 -5.5151 -5.3803 -5.3803 -4.5764 -4.5764 -4.5290 -4.5290 -4.2819 -4.2819 -2.0922 -2.0922 1.2293 1.2293 9.6764 9.6764 10.1211 10.1211 11.3327 11.3327 13.9104 13.9104 15.4404 15.4404 19.3347 19.3347 k = 0.0000 0.1376 0.2604 ( 1518 PWs) bands (ev): -5.5188 -5.5188 -5.3824 -5.3824 -4.5763 -4.5763 -4.5282 -4.5282 -4.2791 -4.2791 -2.1389 -2.1389 1.1805 1.1805 9.6877 9.6877 10.2632 10.2632 11.3603 11.3603 14.1513 14.1513 15.3996 15.3996 19.2784 19.2784 k = 0.0000 0.1284 0.2604 ( 1514 PWs) bands (ev): -5.5226 -5.5226 -5.3845 -5.3845 -4.5761 -4.5761 -4.5274 -4.5274 -4.2763 -4.2763 -2.1827 -2.1827 1.1349 1.1349 9.6847 9.6847 10.3868 10.3868 11.4227 11.4227 14.3953 14.3953 15.3616 15.3616 19.2161 19.2161 k = 0.0000 0.1192 0.2604 ( 1514 PWs) bands (ev): -5.5263 -5.5263 -5.3864 -5.3864 -4.5757 -4.5757 -4.5268 -4.5268 -4.2736 -4.2736 -2.2237 -2.2237 1.0925 1.0925 9.6756 9.6756 10.4781 10.4781 11.5254 11.5254 14.6417 14.6417 15.3263 15.3263 19.1443 19.1443 k = 0.0000 0.1100 0.2604 ( 1510 PWs) bands (ev): -5.5299 -5.5299 -5.3883 -5.3883 -4.5751 -4.5751 -4.5262 -4.5262 -4.2710 -4.2710 -2.2618 -2.2618 1.0533 1.0533 9.6637 9.6637 10.5359 10.5359 11.6658 11.6658 14.8893 14.8893 15.2941 15.2941 19.0579 19.0579 k = 0.0000 0.1009 0.2604 ( 1506 PWs) bands (ev): -5.5334 -5.5334 -5.3900 -5.3900 -4.5745 -4.5745 -4.5256 -4.5256 -4.2684 -4.2684 -2.2969 -2.2969 1.0173 1.0173 9.6507 9.6507 10.5671 10.5671 11.8347 11.8347 15.1358 15.1358 15.2664 15.2664 18.9515 18.9515 k = 0.0000 0.0917 0.2604 ( 1504 PWs) bands (ev): -5.5368 -5.5368 -5.3916 -5.3916 -4.5737 -4.5737 -4.5252 -4.5252 -4.2660 -4.2660 -2.3292 -2.3292 0.9844 0.9844 9.6375 9.6375 10.5805 10.5805 12.0216 12.0216 15.2346 15.2346 15.3889 15.3889 18.8204 18.8204 k = 0.0000 0.0825 0.2604 ( 1504 PWs) bands (ev): -5.5400 -5.5400 -5.3930 -5.3930 -4.5730 -4.5730 -4.5248 -4.5248 -4.2637 -4.2637 -2.3584 -2.3584 0.9548 0.9548 9.6246 9.6246 10.5829 10.5829 12.2175 12.2175 15.2128 15.2128 15.6332 15.6332 18.6643 18.6643 k = 0.0000 0.0734 0.2604 ( 1510 PWs) bands (ev): -5.5430 -5.5430 -5.3944 -5.3944 -4.5722 -4.5722 -4.5244 -4.5244 -4.2617 -4.2617 -2.3847 -2.3847 0.9282 0.9282 9.6124 9.6124 10.5791 10.5791 12.4156 12.4156 15.1930 15.1930 15.8749 15.8749 18.4885 18.4885 k = 0.0000 0.0642 0.2604 ( 1502 PWs) bands (ev): -5.5457 -5.5457 -5.3955 -5.3955 -4.5714 -4.5714 -4.5241 -4.5241 -4.2598 -4.2598 -2.4079 -2.4079 0.9048 0.9048 9.6012 9.6012 10.5722 10.5722 12.6102 12.6102 15.1766 15.1766 16.1108 16.1108 18.3018 18.3018 k = 0.0000 0.0550 0.2604 ( 1498 PWs) bands (ev): -5.5481 -5.5481 -5.3965 -5.3965 -4.5707 -4.5707 -4.5238 -4.5238 -4.2581 -4.2581 -2.4281 -2.4281 0.8846 0.8846 9.5911 9.5911 10.5639 10.5639 12.7961 12.7961 15.1636 15.1636 16.3377 16.3377 18.1140 18.1140 k = 0.0000 0.0459 0.2604 ( 1494 PWs) bands (ev): -5.5502 -5.5502 -5.3974 -5.3974 -4.5700 -4.5700 -4.5236 -4.5236 -4.2566 -4.2566 -2.4452 -2.4452 0.8675 0.8675 9.5825 9.5825 10.5555 10.5555 12.9682 12.9682 15.1542 15.1542 16.5513 16.5513 17.9341 17.9341 k = 0.0000 0.0367 0.2604 ( 1490 PWs) bands (ev): -5.5520 -5.5520 -5.3980 -5.3980 -4.5694 -4.5694 -4.5234 -4.5234 -4.2554 -4.2554 -2.4593 -2.4593 0.8535 0.8535 9.5752 9.5752 10.5479 10.5479 13.1209 13.1209 15.1481 15.1481 16.7458 16.7458 17.7707 17.7707 k = 0.0000 0.0275 0.2604 ( 1490 PWs) bands (ev): -5.5534 -5.5534 -5.3986 -5.3986 -4.5689 -4.5689 -4.5233 -4.5233 -4.2544 -4.2544 -2.4702 -2.4702 0.8426 0.8426 9.5695 9.5695 10.5415 10.5415 13.2484 13.2484 15.1449 15.1449 16.9135 16.9135 17.6319 17.6319 k = 0.0000 0.0183 0.2604 ( 1486 PWs) bands (ev): -5.5544 -5.5544 -5.3990 -5.3990 -4.5686 -4.5686 -4.5232 -4.5232 -4.2537 -4.2537 -2.4780 -2.4780 0.8348 0.8348 9.5654 9.5654 10.5368 10.5368 13.3449 13.3449 15.1439 15.1439 17.0448 17.0448 17.5255 17.5255 k = 0.0000 0.0092 0.2604 ( 1486 PWs) bands (ev): -5.5550 -5.5550 -5.3992 -5.3992 -4.5684 -4.5684 -4.5231 -4.5231 -4.2533 -4.2533 -2.4827 -2.4827 0.8302 0.8302 9.5629 9.5629 10.5338 10.5338 13.4052 13.4052 15.1439 15.1439 17.1293 17.1293 17.4586 17.4586 k = 0.0000 0.0000 0.2604 ( 1474 PWs) bands (ev): -5.5552 -5.5552 -5.3993 -5.3993 -4.5683 -4.5683 -4.5231 -4.5231 -4.2532 -4.2532 -2.4843 -2.4843 0.8286 0.8286 9.5621 9.5621 10.5329 10.5329 13.4258 13.4258 15.1441 15.1441 17.1585 17.1585 17.4358 17.4358 k = 0.0000 0.4769-0.0000 ( 1512 PWs) bands (ev): -5.4619 -5.4619 -5.3489 -5.3489 -4.5836 -4.5836 -4.4765 -4.4765 -4.3098 -4.3098 0.1166 0.1166 3.2736 3.2736 7.1653 7.1653 7.7349 7.7349 7.9740 7.9740 10.3241 10.3241 17.2059 17.2059 21.5331 21.5331 k = 0.0000 0.4769 0.0093 ( 1510 PWs) bands (ev): -5.4619 -5.4618 -5.3492 -5.3487 -4.5838 -4.5834 -4.4768 -4.4762 -4.3099 -4.3098 0.1171 0.1176 3.2743 3.2754 7.1105 7.1674 7.6368 7.8344 7.9198 8.0667 10.3343 10.3393 17.2061 17.2061 21.4922 21.4977 k = 0.0000 0.4769 0.0186 ( 1510 PWs) bands (ev): -5.4620 -5.4617 -5.3495 -5.3485 -4.5840 -4.5832 -4.4771 -4.4759 -4.3098 -4.3097 0.1191 0.1202 3.2775 3.2796 7.0206 7.1103 7.5668 7.7941 8.0286 8.1783 10.3692 10.3791 17.2065 17.2066 21.3866 21.3983 k = 0.0000 0.4769 0.0279 ( 1514 PWs) bands (ev): -5.4620 -5.4616 -5.3499 -5.3484 -4.5842 -4.5830 -4.4774 -4.4757 -4.3098 -4.3096 0.1227 0.1243 3.2832 3.2863 6.9099 7.0100 7.5112 7.7173 8.1842 8.3076 10.4276 10.4417 17.2073 17.2075 21.2334 21.2516 k = 0.0000 0.4769 0.0372 ( 1512 PWs) bands (ev): -5.4620 -5.4615 -5.3503 -5.3483 -4.5844 -4.5828 -4.4778 -4.4754 -4.3097 -4.3094 0.1277 0.1298 3.2913 3.2956 6.7880 6.8881 7.4539 7.6335 8.3501 8.4519 10.5071 10.5249 17.2084 17.2086 21.0455 21.0694 k = 0.0000 0.4769 0.0465 ( 1512 PWs) bands (ev): -5.4620 -5.4614 -5.3508 -5.3483 -4.5845 -4.5826 -4.4781 -4.4752 -4.3095 -4.3092 0.1342 0.1368 3.3019 3.3072 6.6605 6.7572 7.3877 7.5436 8.5222 8.6077 10.6051 10.6261 17.2098 17.2100 20.8331 20.8612 k = 0.0000 0.4769 0.0558 ( 1516 PWs) bands (ev): -5.4620 -5.4613 -5.3513 -5.3484 -4.5847 -4.5825 -4.4784 -4.4751 -4.3094 -4.3090 0.1421 0.1451 3.3148 3.3213 6.5307 6.6237 7.3120 7.4482 8.6990 8.7724 10.7190 10.7425 17.2114 17.2117 20.6036 20.6348 k = 0.0000 0.4769 0.0651 ( 1508 PWs) bands (ev): -5.4619 -5.4611 -5.3518 -5.3485 -4.5848 -4.5823 -4.4787 -4.4749 -4.3091 -4.3087 0.1513 0.1547 3.3301 3.3378 6.4009 6.4904 7.2279 7.3486 8.8795 8.9439 10.8464 10.8720 17.2133 17.2136 20.3627 20.3960 k = 0.0000 0.4769 0.0744 ( 1512 PWs) bands (ev): -5.4619 -5.4610 -5.3523 -5.3487 -4.5849 -4.5821 -4.4789 -4.4748 -4.3089 -4.3085 0.1617 0.1655 3.3478 3.3567 6.2723 6.3591 7.1376 7.2458 9.0630 9.1207 10.9850 11.0124 17.2154 17.2157 20.1144 20.1491 k = 0.0000 0.4769 0.0837 ( 1508 PWs) bands (ev): -5.4618 -5.4608 -5.3528 -5.3489 -4.5850 -4.5820 -4.4792 -4.4747 -4.3086 -4.3082 0.1732 0.1774 3.3677 3.3779 6.1459 6.2306 7.0427 7.1410 9.2492 9.3017 11.1330 11.1619 17.2176 17.2179 19.8617 19.8972 k = 0.0000 0.4769 0.0930 ( 1508 PWs) bands (ev): -5.4617 -5.4607 -5.3534 -5.3492 -4.5850 -4.5819 -4.4794 -4.4747 -4.3083 -4.3079 0.1857 0.1902 3.3898 3.4013 6.0225 6.1055 6.9451 7.0352 9.4376 9.4861 11.2888 11.3190 17.2199 17.2202 19.6071 19.6430 k = 0.0000 0.4769 0.1023 ( 1512 PWs) bands (ev): -5.4616 -5.4605 -5.3539 -5.3496 -4.5851 -4.5818 -4.4796 -4.4747 -4.3080 -4.3075 0.1991 0.2038 3.4140 3.4269 5.9024 5.9843 6.8460 6.9296 9.6277 9.6731 11.4510 11.4824 17.2222 17.2224 19.3523 19.3883 k = 0.0000 0.4769 0.1116 ( 1514 PWs) bands (ev): -5.4615 -5.4604 -5.3544 -5.3500 -4.5851 -4.5817 -4.4798 -4.4747 -4.3077 -4.3072 0.2132 0.2180 3.4403 3.4546 5.7863 5.8672 6.7467 6.8248 9.8191 9.8621 11.6183 11.6508 17.2245 17.2246 19.0989 19.1348 k = 0.0000 0.4769 0.1209 ( 1516 PWs) bands (ev): -5.4613 -5.4602 -5.3549 -5.3504 -4.5851 -4.5816 -4.4800 -4.4748 -4.3073 -4.3068 0.2279 0.2328 3.4684 3.4843 5.6743 5.7545 6.6483 6.7216 10.0114 10.0525 11.7897 11.8231 17.2265 17.2266 18.8485 18.8841 k = 0.0000 0.4769 0.1302 ( 1516 PWs) bands (ev): -5.4612 -5.4601 -5.3554 -5.3509 -4.5850 -4.5815 -4.4801 -4.4749 -4.3069 -4.3065 0.2429 0.2479 3.4984 3.5158 5.5667 5.6464 6.5516 6.6208 10.2040 10.2436 11.9639 11.9983 17.2281 17.2284 18.6023 18.6375 k = 0.0000 0.4769 0.1395 ( 1524 PWs) bands (ev): -5.4610 -5.4599 -5.3559 -5.3514 -4.5850 -4.5815 -4.4802 -4.4750 -4.3066 -4.3061 0.2582 0.2632 3.5300 3.5489 5.4640 5.5431 6.4575 6.5229 10.3964 10.4347 12.1400 12.1753 17.2288 17.2296 18.3621 18.3968 k = 0.0000 0.4769 0.1488 ( 1524 PWs) bands (ev): -5.4609 -5.4598 -5.3563 -5.3519 -4.5849 -4.5815 -4.4802 -4.4752 -4.3062 -4.3058 0.2736 0.2785 3.5630 3.5835 5.3662 5.4446 6.3667 6.4285 10.5877 10.6250 12.3168 12.3529 17.2284 17.2297 18.1295 18.1639 k = 0.0000 0.4769 0.1581 ( 1526 PWs) bands (ev): -5.4607 -5.4597 -5.3567 -5.3524 -4.5848 -4.5815 -4.4802 -4.4754 -4.3058 -4.3054 0.2887 0.2935 3.5972 3.6193 5.2737 5.3512 6.2799 6.3383 10.7773 10.8136 12.4930 12.5298 17.2256 17.2279 17.9071 17.9414 k = 0.0000 0.4769 0.1674 ( 1526 PWs) bands (ev): -5.4606 -5.4596 -5.3571 -5.3530 -4.5847 -4.5815 -4.4802 -4.4756 -4.3055 -4.3051 0.3035 0.3080 3.6324 3.6559 5.1868 5.2630 6.1979 6.2527 10.9639 10.9992 12.6671 12.7045 17.2180 17.2221 17.6989 17.7337 k = 0.0000 0.4769 0.1767 ( 1526 PWs) bands (ev): -5.4604 -5.4595 -5.3574 -5.3535 -4.5845 -4.5816 -4.4802 -4.4758 -4.3051 -4.3048 0.3177 0.3220 3.6682 3.6929 5.1058 5.1802 6.1213 6.1725 11.1464 11.1806 12.8375 12.8752 17.1987 17.2057 17.5134 17.5499 k = 0.0000 0.4769 0.1860 ( 1526 PWs) bands (ev): -5.4603 -5.4594 -5.3576 -5.3541 -4.5844 -4.5817 -4.4801 -4.4761 -4.3048 -4.3045 0.3311 0.3351 3.7042 3.7298 5.0309 5.1028 6.0508 6.0980 11.3231 11.3560 13.0020 13.0398 17.1492 17.1572 17.3748 17.4114 k = 0.0000 0.4769 0.1953 ( 1526 PWs) bands (ev): -5.4601 -5.4593 -5.3578 -5.3546 -4.5842 -4.5817 -4.4800 -4.4764 -4.3045 -4.3042 0.3435 0.3471 3.7399 3.7659 4.9628 5.0311 5.9871 6.0299 11.4920 11.5233 13.1582 13.1955 17.0511 17.0530 17.3097 17.3396 k = 0.0000 0.4769 0.2046 ( 1530 PWs) bands (ev): -5.4600 -5.4593 -5.3579 -5.3551 -4.5840 -4.5819 -4.4798 -4.4767 -4.3042 -4.3040 0.3548 0.3580 3.7746 3.8005 4.9019 4.9655 5.9307 5.9688 11.6506 11.6798 13.3031 13.3393 16.9289 16.9316 17.2851 17.3114 k = 0.0000 0.4769 0.2139 ( 1534 PWs) bands (ev): -5.4599 -5.4593 -5.3580 -5.3556 -4.5838 -4.5820 -4.4796 -4.4770 -4.3040 -4.3038 0.3647 0.3674 3.8077 3.8325 4.8491 4.9064 5.8824 5.9152 11.7960 11.8225 13.4336 13.4676 16.8186 16.8228 17.2684 17.2981 k = 0.0000 0.4769 0.2232 ( 1534 PWs) bands (ev): -5.4597 -5.4592 -5.3580 -5.3561 -4.5836 -4.5821 -4.4794 -4.4773 -4.3038 -4.3036 0.3731 0.3754 3.8381 3.8606 4.8051 4.8545 5.8428 5.8697 11.9246 11.9475 13.5463 13.5767 16.7356 16.7398 17.2353 17.2781 k = 0.0000 0.4769 0.2325 ( 1534 PWs) bands (ev): -5.4596 -5.4593 -5.3580 -5.3565 -4.5834 -4.5823 -4.4792 -4.4776 -4.3036 -4.3035 0.3799 0.3816 3.8648 3.8836 4.7711 4.8106 5.8122 5.8329 12.0321 12.0506 13.6380 13.6632 16.6864 16.6904 17.1365 17.1517 k = 0.0000 0.4769 0.2418 ( 1536 PWs) bands (ev): -5.4595 -5.4593 -5.3579 -5.3569 -4.5832 -4.5824 -4.4790 -4.4779 -4.3035 -4.3034 0.3849 0.3860 3.8864 3.9000 4.7480 4.7758 5.7911 5.8052 12.1144 12.1274 13.7065 13.7246 16.6750 16.6788 16.9984 16.9989 k = 0.0000 0.4769 0.2511 ( 1536 PWs) bands (ev): -5.4594 -5.4593 -5.3577 -5.3572 -4.5830 -4.5826 -4.4787 -4.4782 -4.3034 -4.3034 0.3881 0.3886 3.9016 3.9088 4.7369 4.7512 5.7798 5.7869 12.1671 12.1739 13.7500 13.7596 16.7027 16.7066 16.8689 16.8720 k = 0.0000 0.4769 0.2604 ( 1532 PWs) bands (ev): -5.4594 -5.4594 -5.3575 -5.3575 -4.5828 -4.5828 -4.4784 -4.4784 -4.3034 -4.3034 0.3893 0.3893 3.9093 3.9093 4.7380 4.7380 5.7784 5.7784 12.1874 12.1874 13.7680 13.7680 16.7660 16.7660 16.7750 16.7750 k = 0.5000-0.0000 0.2604 ( 1488 PWs) bands (ev): -5.4316 -5.4316 -5.3124 -5.3124 -4.6071 -4.6071 -4.4665 -4.4665 -4.2987 -4.2987 0.7495 0.7495 4.2686 4.2686 4.7166 4.7166 6.9185 6.9185 12.8795 12.8795 14.0046 14.0046 16.1501 16.1501 16.4195 16.4195 k = 0.5000-0.0000 0.2511 ( 1490 PWs) bands (ev): -5.4317 -5.4315 -5.3124 -5.3124 -4.6072 -4.6070 -4.4666 -4.4665 -4.2989 -4.2987 0.7491 0.7492 4.2671 4.2671 4.7197 4.7201 6.9223 6.9224 12.8168 12.8274 14.0541 14.0733 16.1411 16.1515 16.3678 16.3696 k = 0.5000-0.0000 0.2418 ( 1488 PWs) bands (ev): -5.4318 -5.4314 -5.3125 -5.3123 -4.6073 -4.6070 -4.4666 -4.4665 -4.2992 -4.2988 0.7480 0.7481 4.2628 4.2628 4.7294 4.7302 6.9336 6.9338 12.6679 12.6842 14.1977 14.2317 16.1153 16.1301 16.2531 16.2632 k = 0.5000-0.0000 0.2325 ( 1496 PWs) bands (ev): -5.4319 -5.4314 -5.3125 -5.3123 -4.6074 -4.6070 -4.4666 -4.4664 -4.2997 -4.2990 0.7462 0.7463 4.2557 4.2557 4.7459 4.7470 6.9524 6.9525 12.4733 12.4916 14.3928 14.4395 16.0138 16.0173 16.1756 16.2114 k = 0.5000-0.0000 0.2232 ( 1496 PWs) bands (ev): -5.4320 -5.4313 -5.3125 -5.3123 -4.6075 -4.6069 -4.4665 -4.4663 -4.3002 -4.2994 0.7436 0.7437 4.2457 4.2458 4.7692 4.7707 6.9782 6.9784 12.2569 12.2754 14.6126 14.6730 15.8413 15.8413 16.1528 16.2091 k = 0.5000-0.0000 0.2139 ( 1502 PWs) bands (ev): -5.4322 -5.4313 -5.3126 -5.3123 -4.6077 -4.6069 -4.4665 -4.4663 -4.3010 -4.3000 0.7404 0.7406 4.2331 4.2332 4.7995 4.8013 7.0108 7.0111 12.0300 12.0481 14.8427 14.9203 15.6507 15.6518 16.1403 16.2194 k = 0.5000-0.0000 0.2046 ( 1502 PWs) bands (ev): -5.4323 -5.4313 -5.3126 -5.3123 -4.6078 -4.6069 -4.4665 -4.4662 -4.3018 -4.3006 0.7367 0.7368 4.2180 4.2181 4.8367 4.8388 7.0498 7.0501 11.7982 11.8157 15.0737 15.1744 15.4562 15.4600 16.1298 16.2394 k = 0.5000-0.0000 0.1953 ( 1502 PWs) bands (ev): -5.4325 -5.4314 -5.3127 -5.3123 -4.6079 -4.6070 -4.4664 -4.4661 -4.3027 -4.3014 0.7324 0.7326 4.2008 4.2008 4.8809 4.8833 7.0946 7.0950 11.5645 11.5812 15.2547 15.2594 15.2986 15.4471 16.1197 16.2737 k = 0.5000-0.0000 0.1860 ( 1502 PWs) bands (ev): -5.4326 -5.4314 -5.3127 -5.3123 -4.6081 -4.6070 -4.4664 -4.4660 -4.3037 -4.3023 0.7276 0.7278 4.1816 4.1817 4.9320 4.9348 7.1448 7.1453 11.3307 11.3467 15.0662 15.0680 15.4990 15.7079 16.1100 16.3325 k = 0.5000-0.0000 0.1767 ( 1502 PWs) bands (ev): -5.4328 -5.4315 -5.3127 -5.3123 -4.6082 -4.6070 -4.4663 -4.4659 -4.3048 -4.3032 0.7225 0.7227 4.1609 4.1610 4.9899 4.9931 7.1998 7.2003 11.0977 11.1130 14.8767 14.8777 15.6641 15.9714 16.1034 16.4306 k = 0.5000-0.0000 0.1674 ( 1500 PWs) bands (ev): -5.4330 -5.4315 -5.3128 -5.3123 -4.6084 -4.6071 -4.4662 -4.4658 -4.3060 -4.3043 0.7170 0.7172 4.1391 4.1392 5.0546 5.0581 7.2589 7.2594 10.8663 10.8810 14.6903 14.6910 15.7807 16.0813 16.2519 16.5788 k = 0.5000-0.0000 0.1581 ( 1498 PWs) bands (ev): -5.4331 -5.4316 -5.3128 -5.3123 -4.6085 -4.6072 -4.4661 -4.4657 -4.3072 -4.3054 0.7113 0.7116 4.1165 4.1166 5.1259 5.1297 7.3216 7.3222 10.6371 10.6512 14.5079 14.5085 15.8524 16.0729 16.5192 16.7725 k = 0.5000-0.0000 0.1488 ( 1498 PWs) bands (ev): -5.4333 -5.4317 -5.3128 -5.3123 -4.6087 -4.6073 -4.4660 -4.4655 -4.3084 -4.3066 0.7055 0.7058 4.0934 4.0936 5.2037 5.2078 7.3872 7.3878 10.4103 10.4238 14.3304 14.3308 15.8936 16.0620 16.7886 16.9968 k = 0.5000-0.0000 0.1395 ( 1506 PWs) bands (ev): -5.4335 -5.4319 -5.3129 -5.3123 -4.6088 -4.6074 -4.4659 -4.4654 -4.3097 -4.3078 0.6996 0.6999 4.0703 4.0704 5.2878 5.2922 7.4551 7.4557 10.1863 10.1993 14.1580 14.1584 15.9167 16.0506 17.0572 17.2385 k = 0.5000-0.0000 0.1302 ( 1514 PWs) bands (ev): -5.4336 -5.4320 -5.3129 -5.3124 -4.6090 -4.6075 -4.4658 -4.4653 -4.3110 -4.3091 0.6937 0.6940 4.0474 4.0475 5.3781 5.3827 7.5244 7.5250 9.9653 9.9779 13.9916 13.9919 15.9293 16.0392 17.3240 17.4893 k = 0.5000-0.0000 0.1209 ( 1514 PWs) bands (ev): -5.4337 -5.4321 -5.3129 -5.3124 -4.6091 -4.6077 -4.4657 -4.4652 -4.3122 -4.3103 0.6879 0.6882 4.0249 4.0251 5.4744 5.4793 7.5945 7.5952 9.7477 9.7597 13.8315 13.8318 15.9357 16.0277 17.5877 17.7441 k = 0.5000-0.0000 0.1116 ( 1512 PWs) bands (ev): -5.4339 -5.4323 -5.3130 -5.3124 -4.6092 -4.6078 -4.4656 -4.4651 -4.3134 -4.3115 0.6823 0.6825 4.0033 4.0034 5.5765 5.5818 7.6644 7.6652 9.5335 9.5451 13.6784 13.6787 15.9383 16.0165 17.8472 17.9994 k = 0.5000-0.0000 0.1023 ( 1512 PWs) bands (ev): -5.4340 -5.4325 -5.3130 -5.3125 -4.6093 -4.6079 -4.4655 -4.4650 -4.3146 -4.3128 0.6769 0.6771 3.9826 3.9828 5.6845 5.6900 7.7334 7.7343 9.3232 9.3343 13.5331 13.5333 15.9385 16.0056 18.1010 18.2527 k = 0.5000-0.0000 0.0930 ( 1516 PWs) bands (ev): -5.4341 -5.4326 -5.3130 -5.3125 -4.6094 -4.6081 -4.4654 -4.4649 -4.3157 -4.3139 0.6717 0.6719 3.9631 3.9633 5.7980 5.8038 7.8003 7.8013 9.1170 9.1277 13.3961 13.3962 15.9374 15.9950 18.3476 18.5016 k = 0.5000-0.0000 0.0837 ( 1516 PWs) bands (ev): -5.4342 -5.4328 -5.3130 -5.3126 -4.6095 -4.6083 -4.4653 -4.4649 -4.3167 -4.3151 0.6669 0.6671 3.9450 3.9451 5.9170 5.9231 7.8638 7.8649 8.9155 8.9257 13.2682 13.2684 15.9354 15.9850 18.5850 18.7435 k = 0.5000-0.0000 0.0744 ( 1516 PWs) bands (ev): -5.4342 -5.4330 -5.3130 -5.3126 -4.6095 -4.6084 -4.4652 -4.4648 -4.3176 -4.3161 0.6624 0.6626 3.9284 3.9285 6.0414 6.0477 7.9218 7.9233 8.7200 8.7295 13.1503 13.1504 15.9331 15.9756 18.8110 18.9759 k = 0.5000-0.0000 0.0651 ( 1516 PWs) bands (ev): -5.4343 -5.4331 -5.3130 -5.3127 -4.6096 -4.6086 -4.4651 -4.4647 -4.3185 -4.3171 0.6584 0.6586 3.9134 3.9136 6.1709 6.1776 7.9708 7.9729 8.5332 8.5418 13.0432 13.0433 15.9307 15.9668 19.0232 19.1953 k = 0.5000-0.0000 0.0558 ( 1516 PWs) bands (ev): -5.4343 -5.4333 -5.3130 -5.3127 -4.6096 -4.6087 -4.4650 -4.4647 -4.3192 -4.3180 0.6549 0.6550 3.9003 3.9004 6.3055 6.3124 8.0009 8.0045 8.3641 8.3709 12.9479 12.9480 15.9286 15.9588 19.2189 19.3979 k = 0.5000-0.0000 0.0465 ( 1512 PWs) bands (ev): -5.4343 -5.4335 -5.3130 -5.3127 -4.6096 -4.6088 -4.4649 -4.4647 -4.3198 -4.3188 0.6518 0.6519 3.8890 3.8891 6.4450 6.4522 7.9791 7.9862 8.2449 8.2478 12.8652 12.8652 15.9269 15.9515 19.3952 19.5783 k = 0.5000-0.0000 0.0372 ( 1512 PWs) bands (ev): -5.4343 -5.4336 -5.3130 -5.3128 -4.6096 -4.6090 -4.4649 -4.4646 -4.3203 -4.3195 0.6492 0.6494 3.8796 3.8797 6.5892 6.5967 7.8685 7.8781 8.2115 8.2118 12.7960 12.7961 15.9257 15.9451 19.5496 19.7297 k = 0.5000-0.0000 0.0279 ( 1512 PWs) bands (ev): -5.4343 -5.4338 -5.3130 -5.3128 -4.6096 -4.6091 -4.4648 -4.4646 -4.3207 -4.3200 0.6473 0.6473 3.8723 3.8723 6.7379 6.7457 7.7129 7.7225 8.2196 8.2198 12.7412 12.7413 15.9252 15.9395 19.6800 19.8433 k = 0.5000-0.0000 0.0186 ( 1512 PWs) bands (ev): -5.4343 -5.4339 -5.3130 -5.3129 -4.6095 -4.6092 -4.4647 -4.4646 -4.3209 -4.3205 0.6458 0.6459 3.8670 3.8670 6.8907 6.8987 7.5473 7.5567 8.2339 8.2341 12.7016 12.7016 15.9254 15.9349 19.7849 19.9111 k = 0.5000-0.0000 0.0093 ( 1508 PWs) bands (ev): -5.4342 -5.4340 -5.3129 -5.3129 -4.6095 -4.6093 -4.4647 -4.4646 -4.3210 -4.3208 0.6450 0.6450 3.8638 3.8638 7.0461 7.0543 7.3828 7.3916 8.2444 8.2445 12.6775 12.6775 15.9265 15.9312 19.8635 19.9323 k = 0.5000-0.0000-0.0000 ( 1500 PWs) bands (ev): -5.4341 -5.4341 -5.3129 -5.3129 -4.6094 -4.6094 -4.4646 -4.4646 -4.3210 -4.3210 0.6447 0.6447 3.8628 3.8628 7.1761 7.1761 7.2580 7.2580 8.2482 8.2482 12.6695 12.6695 15.9284 15.9284 19.9139 19.9139 k = 0.5000 0.4769-0.0000 ( 1516 PWs) bands (ev): -5.3927 -5.3927 -5.3577 -5.3577 -4.6580 -4.6580 -4.4407 -4.4407 -4.1098 -4.1098 3.6525 3.6525 6.0421 6.0421 6.4764 6.4764 9.5225 9.5225 10.5312 10.5312 11.1093 11.1093 11.5639 11.5639 13.4542 13.4542 k = 0.5000 0.4769 0.0093 ( 1516 PWs) bands (ev): -5.3927 -5.3927 -5.3577 -5.3576 -4.6581 -4.6580 -4.4408 -4.4406 -4.1098 -4.1098 3.6532 3.6534 6.0423 6.0426 6.4768 6.4769 9.5202 9.5254 10.4782 10.5120 11.0945 11.1876 11.5361 11.5845 13.4560 13.4690 k = 0.5000 0.4769 0.0186 ( 1516 PWs) bands (ev): -5.3928 -5.3926 -5.3578 -5.3575 -4.6581 -4.6580 -4.4408 -4.4404 -4.1098 -4.1098 3.6555 3.6559 6.0432 6.0439 6.4781 6.4784 9.5180 9.5290 10.3814 10.4281 11.1248 11.3007 11.5023 11.6096 13.4663 13.4906 k = 0.5000 0.4769 0.0279 ( 1516 PWs) bands (ev): -5.3928 -5.3926 -5.3578 -5.3574 -4.6582 -4.6580 -4.4407 -4.4402 -4.1098 -4.1097 3.6594 3.6601 6.0449 6.0458 6.4804 6.4808 9.5155 9.5334 10.2659 10.3107 11.1515 11.3698 11.5198 11.6595 13.4644 13.4903 k = 0.5000 0.4769 0.0372 ( 1516 PWs) bands (ev): -5.3928 -5.3926 -5.3578 -5.3574 -4.6583 -4.6580 -4.4405 -4.4399 -4.1098 -4.1097 3.6649 3.6658 6.0472 6.0485 6.4835 6.4841 9.5116 9.5386 10.1446 10.1799 11.1444 11.3234 11.6517 11.7478 13.4400 13.4619 k = 0.5000 0.4769 0.0465 ( 1516 PWs) bands (ev): -5.3929 -5.3926 -5.3579 -5.3573 -4.6584 -4.6580 -4.4403 -4.4396 -4.1099 -4.1097 3.6719 3.6730 6.0501 6.0518 6.4876 6.4883 9.5046 9.5447 10.0249 10.0447 11.1029 11.2440 11.8136 11.8697 13.3986 13.4175 k = 0.5000 0.4769 0.0558 ( 1516 PWs) bands (ev): -5.3929 -5.3926 -5.3579 -5.3572 -4.6586 -4.6581 -4.4401 -4.4392 -4.1099 -4.1097 3.6803 3.6816 6.0537 6.0558 6.4925 6.4933 9.4908 9.5515 9.9092 9.9129 11.0381 11.1532 11.9847 12.0137 13.3462 13.3634 k = 0.5000 0.4769 0.0651 ( 1512 PWs) bands (ev): -5.3930 -5.3925 -5.3579 -5.3571 -4.6587 -4.6582 -4.4397 -4.4387 -4.1098 -4.1096 3.6902 3.6916 6.0579 6.0603 6.4983 6.4992 9.4638 9.5586 9.7759 9.8169 10.9593 11.0561 12.1608 12.1708 13.2864 13.3030 k = 0.5000 0.4769 0.0744 ( 1508 PWs) bands (ev): -5.3930 -5.3925 -5.3579 -5.3570 -4.6588 -4.6583 -4.4393 -4.4382 -4.1098 -4.1096 3.7013 3.7029 6.0626 6.0653 6.5049 6.5059 9.4150 9.5624 9.6493 9.7463 10.8723 10.9555 12.3361 12.3405 13.2216 13.2386 k = 0.5000 0.4769 0.0837 ( 1504 PWs) bands (ev): -5.3930 -5.3925 -5.3578 -5.3569 -4.6590 -4.6584 -4.4389 -4.4377 -4.1098 -4.1096 3.7136 3.7154 6.0677 6.0709 6.5122 6.5134 9.3414 9.5041 9.5891 9.7048 10.7809 10.8534 12.5061 12.5226 13.1536 13.1722 k = 0.5000 0.4769 0.0930 ( 1508 PWs) bands (ev): -5.3931 -5.3926 -5.3578 -5.3568 -4.6592 -4.6585 -4.4384 -4.4372 -4.1098 -4.1096 3.7270 3.7289 6.0733 6.0768 6.5202 6.5216 9.2505 9.3850 9.5943 9.6853 10.6877 10.7513 12.6771 12.7065 13.0838 13.1071 k = 0.5000 0.4769 0.1023 ( 1508 PWs) bands (ev): -5.3931 -5.3926 -5.3578 -5.3567 -4.6593 -4.6586 -4.4379 -4.4366 -4.1098 -4.1095 3.7413 3.7434 6.0792 6.0831 6.5288 6.5304 9.1515 9.2660 9.6042 9.6788 10.5945 10.6503 12.8375 12.8913 13.0136 13.0547 k = 0.5000 0.4769 0.1116 ( 1508 PWs) bands (ev): -5.3931 -5.3926 -5.3577 -5.3566 -4.6595 -4.6588 -4.4374 -4.4360 -4.1098 -4.1095 3.7564 3.7585 6.0853 6.0896 6.5381 6.5397 9.0506 9.1510 9.6152 9.6797 10.5027 10.5514 12.9073 12.9418 13.0784 13.0947 k = 0.5000 0.4769 0.1209 ( 1504 PWs) bands (ev): -5.3932 -5.3926 -5.3576 -5.3565 -4.6597 -4.6589 -4.4368 -4.4354 -4.1098 -4.1095 3.7722 3.7743 6.0916 6.0963 6.5478 6.5496 8.9508 9.0408 9.6267 9.6847 10.4133 10.4553 12.8634 12.8726 13.2503 13.2636 k = 0.5000 0.4769 0.1302 ( 1508 PWs) bands (ev): -5.3932 -5.3926 -5.3576 -5.3565 -4.6598 -4.6591 -4.4363 -4.4349 -4.1097 -4.1095 3.7883 3.7906 6.0981 6.1030 6.5579 6.5598 8.8541 8.9357 9.6382 9.6923 10.3273 10.3627 12.8018 12.8048 13.4253 13.4483 k = 0.5000 0.4769 0.1395 ( 1512 PWs) bands (ev): -5.3932 -5.3927 -5.3575 -5.3564 -4.6600 -4.6593 -4.4357 -4.4343 -4.1097 -4.1094 3.8048 3.8070 6.1046 6.1098 6.5683 6.5703 8.7616 8.8360 9.6495 9.7014 10.2456 10.2742 12.7387 12.7392 13.6031 13.6312 k = 0.5000 0.4769 0.1488 ( 1508 PWs) bands (ev): -5.3932 -5.3927 -5.3574 -5.3563 -4.6601 -4.6594 -4.4351 -4.4337 -4.1097 -4.1094 3.8213 3.8235 6.1110 6.1164 6.5789 6.5809 8.6740 8.7420 9.6601 9.7112 10.1689 10.1904 12.6763 12.6770 13.7803 13.8106 k = 0.5000 0.4769 0.1581 ( 1504 PWs) bands (ev): -5.3933 -5.3927 -5.3573 -5.3563 -4.6603 -4.6596 -4.4345 -4.4332 -4.1097 -4.1094 3.8376 3.8397 6.1173 6.1229 6.5896 6.5916 8.5919 8.6541 9.6695 9.7210 10.0980 10.1119 12.6166 12.6180 13.9551 13.9669 k = 0.5000 0.4769 0.1674 ( 1508 PWs) bands (ev): -5.3933 -5.3928 -5.3572 -5.3562 -4.6604 -4.6598 -4.4339 -4.4327 -4.1096 -4.1094 3.8535 3.8556 6.1234 6.1290 6.6001 6.6021 8.5158 8.5723 9.6769 9.7303 10.0341 10.0395 12.5605 12.5623 13.9397 13.9398 k = 0.5000 0.4769 0.1767 ( 1508 PWs) bands (ev): -5.3933 -5.3928 -5.3572 -5.3562 -4.6605 -4.6599 -4.4334 -4.4322 -4.1096 -4.1094 3.8689 3.8709 6.1293 6.1348 6.6104 6.6123 8.4460 8.4971 9.6814 9.7380 9.9743 9.9783 12.5085 12.5104 13.8872 13.8887 k = 0.5000 0.4769 0.1860 ( 1516 PWs) bands (ev): -5.3933 -5.3928 -5.3571 -5.3562 -4.6606 -4.6601 -4.4329 -4.4318 -4.1096 -4.1094 3.8834 3.8853 6.1347 6.1401 6.6202 6.6221 8.3829 8.4287 9.6817 9.7422 9.9180 9.9320 12.4609 12.4628 13.8398 13.8415 k = 0.5000 0.4769 0.1953 ( 1512 PWs) bands (ev): -5.3933 -5.3929 -5.3570 -5.3562 -4.6607 -4.6602 -4.4324 -4.4314 -4.1096 -4.1094 3.8969 3.8986 6.1398 6.1449 6.6295 6.6312 8.3268 8.3672 9.6766 9.7397 9.8740 9.8965 12.4180 12.4199 13.7977 13.7994 k = 0.5000 0.4769 0.2046 ( 1508 PWs) bands (ev): -5.3933 -5.3929 -5.3569 -5.3562 -4.6608 -4.6604 -4.4319 -4.4311 -4.1095 -4.1094 3.9091 3.9106 6.1444 6.1491 6.6380 6.6396 8.2781 8.3129 9.6662 9.7264 9.8467 9.8721 12.3802 12.3819 13.7611 13.7626 k = 0.5000 0.4769 0.2139 ( 1508 PWs) bands (ev): -5.3933 -5.3930 -5.3568 -5.3562 -4.6609 -4.6605 -4.4315 -4.4308 -4.1095 -4.1094 3.9199 3.9211 6.1485 6.1526 6.6456 6.6469 8.2368 8.2661 9.6518 9.7029 9.8351 9.8573 12.3477 12.3492 13.7299 13.7312 k = 0.5000 0.4769 0.2232 ( 1500 PWs) bands (ev): -5.3932 -5.3930 -5.3567 -5.3562 -4.6609 -4.6606 -4.4312 -4.4306 -4.1095 -4.1094 3.9289 3.9300 6.1520 6.1555 6.6521 6.6532 8.2033 8.2269 9.6364 9.6762 9.8326 9.8492 12.3208 12.3221 13.7043 13.7054 k = 0.5000 0.4769 0.2325 ( 1496 PWs) bands (ev): -5.3932 -5.3930 -5.3566 -5.3562 -4.6609 -4.6607 -4.4309 -4.4304 -4.1095 -4.1094 3.9362 3.9371 6.1549 6.1576 6.6573 6.6582 8.1778 8.1956 9.6228 9.6516 9.8338 9.8451 12.2997 12.3007 13.6844 13.6852 k = 0.5000 0.4769 0.2418 ( 1504 PWs) bands (ev): -5.3932 -5.3931 -5.3565 -5.3563 -4.6609 -4.6608 -4.4306 -4.4303 -4.1094 -4.1094 3.9416 3.9421 6.1572 6.1590 6.6612 6.6618 8.1603 8.1722 9.6131 9.6317 9.8361 9.8431 12.2845 12.2852 13.6702 13.6707 k = 0.5000 0.4769 0.2511 ( 1504 PWs) bands (ev): -5.3932 -5.3931 -5.3565 -5.3563 -4.6609 -4.6609 -4.4305 -4.4303 -4.1094 -4.1094 3.9449 3.9452 6.1587 6.1597 6.6636 6.6639 8.1509 8.1569 9.6086 9.6177 9.8384 9.8417 12.2754 12.2758 13.6617 13.6619 k = 0.5000 0.4769 0.2604 ( 1504 PWs) bands (ev): -5.3932 -5.3932 -5.3564 -5.3564 -4.6609 -4.6609 -4.4304 -4.4304 -4.1094 -4.1094 3.9461 3.9461 6.1596 6.1596 6.6645 6.6645 8.1498 8.1498 9.6100 9.6100 9.8402 9.8402 12.2725 12.2725 13.6589 13.6589 Writing output data file InSb.save init_run : 0.27s CPU 0.47s WALL ( 1 calls) electrons : 107.05s CPU 108.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 107.04s CPU 108.18s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 548 calls) cegterg : 101.46s CPU 102.43s WALL ( 1136 calls) Called by sum_band: Called by *egterg: h_psi : 57.58s CPU 65.37s WALL ( 18002 calls) s_psi : 4.37s CPU 4.85s WALL ( 18002 calls) g_psi : 0.11s CPU 0.14s WALL ( 16318 calls) cdiaghg : 24.75s CPU 27.81s WALL ( 16866 calls) cegterg:over : 6.22s CPU 3.45s WALL ( 16318 calls) cegterg:upda : 0.71s CPU 0.75s WALL ( 16318 calls) cegterg:last : 0.48s CPU 0.51s WALL ( 2812 calls) Called by h_psi: h_psi:vloc : 53.05s CPU 60.45s WALL ( 18002 calls) h_psi:vnl : 4.52s CPU 4.84s WALL ( 18002 calls) add_vuspsi : 2.74s CPU 2.89s WALL ( 18002 calls) General routines calbec : 1.75s CPU 1.92s WALL ( 18002 calls) fft : 0.02s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.54s CPU 58.54s WALL ( 913844 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.02s CPU 0.10s WALL ( 1096 calls) Parallel routines fft_scatter : 39.06s CPU 43.39s WALL ( 913867 calls) PWSCF : 2m 0.87s CPU 2m 5.81s WALL This run was terminated on: 14:50:24 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=