Program PWSCF v.5.1.1 starts on 16Jul2015 at 14:26:35 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 4 673 367 66 Max 20 14 5 680 380 70 Sum 611 421 137 21587 12007 2193 bravais-lattice index = 14 lattice parameter (alat) = 5.5161 a.u. unit-cell volume = 339.3005 (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)= 5.516110 celldm(2)= 1.050360 celldm(3)= 1.924632 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 1.050360 0.000000 ) a(3) = ( 0.000000 0.000000 1.924632 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.952055 -0.000000 ) b(3) = ( 0.000000 0.000000 0.519580 ) 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 0.0091544 -0.0000000), wk = 0.0018248 k( 58) = ( 0.5000000 0.0183087 -0.0000000), wk = 0.0018248 k( 59) = ( 0.5000000 0.0274631 -0.0000000), wk = 0.0018248 k( 60) = ( 0.5000000 0.0366175 -0.0000000), wk = 0.0018248 k( 61) = ( 0.5000000 0.0457719 -0.0000000), wk = 0.0018248 k( 62) = ( 0.5000000 0.0549262 -0.0000000), wk = 0.0018248 k( 63) = ( 0.5000000 0.0640806 -0.0000000), wk = 0.0018248 k( 64) = ( 0.5000000 0.0732350 -0.0000000), wk = 0.0018248 k( 65) = ( 0.5000000 0.0823894 -0.0000000), wk = 0.0018248 k( 66) = ( 0.5000000 0.0915437 -0.0000000), wk = 0.0018248 k( 67) = ( 0.5000000 0.1006981 -0.0000000), wk = 0.0018248 k( 68) = ( 0.5000000 0.1098525 -0.0000000), wk = 0.0018248 k( 69) = ( 0.5000000 0.1190068 -0.0000000), wk = 0.0018248 k( 70) = ( 0.5000000 0.1281612 -0.0000000), wk = 0.0018248 k( 71) = ( 0.5000000 0.1373156 -0.0000000), wk = 0.0018248 k( 72) = ( 0.5000000 0.1464700 -0.0000000), wk = 0.0018248 k( 73) = ( 0.5000000 0.1556243 -0.0000000), wk = 0.0018248 k( 74) = ( 0.5000000 0.1647787 -0.0000000), wk = 0.0018248 k( 75) = ( 0.5000000 0.1739331 -0.0000000), wk = 0.0018248 k( 76) = ( 0.5000000 0.1830875 -0.0000000), wk = 0.0018248 k( 77) = ( 0.5000000 0.1922418 -0.0000000), wk = 0.0018248 k( 78) = ( 0.5000000 0.2013962 -0.0000000), wk = 0.0018248 k( 79) = ( 0.5000000 0.2105506 -0.0000000), wk = 0.0018248 k( 80) = ( 0.5000000 0.2197050 -0.0000000), wk = 0.0018248 k( 81) = ( 0.5000000 0.2288593 -0.0000000), wk = 0.0018248 k( 82) = ( 0.5000000 0.2380137 -0.0000000), wk = 0.0018248 k( 83) = ( 0.5000000 0.2471681 -0.0000000), wk = 0.0018248 k( 84) = ( 0.5000000 0.2563224 -0.0000000), wk = 0.0018248 k( 85) = ( 0.5000000 0.2654768 -0.0000000), wk = 0.0018248 k( 86) = ( 0.5000000 0.2746312 -0.0000000), wk = 0.0018248 k( 87) = ( 0.5000000 0.2837856 -0.0000000), wk = 0.0018248 k( 88) = ( 0.5000000 0.2929399 -0.0000000), wk = 0.0018248 k( 89) = ( 0.5000000 0.3020943 -0.0000000), wk = 0.0018248 k( 90) = ( 0.5000000 0.3112487 -0.0000000), wk = 0.0018248 k( 91) = ( 0.5000000 0.3204031 -0.0000000), wk = 0.0018248 k( 92) = ( 0.5000000 0.3295574 -0.0000000), wk = 0.0018248 k( 93) = ( 0.5000000 0.3387118 -0.0000000), wk = 0.0018248 k( 94) = ( 0.5000000 0.3478662 -0.0000000), wk = 0.0018248 k( 95) = ( 0.5000000 0.3570205 -0.0000000), wk = 0.0018248 k( 96) = ( 0.5000000 0.3661749 -0.0000000), wk = 0.0018248 k( 97) = ( 0.5000000 0.3753293 -0.0000000), wk = 0.0018248 k( 98) = ( 0.5000000 0.3844837 -0.0000000), wk = 0.0018248 k( 99) = ( 0.5000000 0.3936380 -0.0000000), wk = 0.0018248 k( 100) = ( 0.5000000 0.4027924 -0.0000000), wk = 0.0018248 k( 101) = ( 0.5000000 0.4119468 -0.0000000), wk = 0.0018248 k( 102) = ( 0.5000000 0.4211012 -0.0000000), wk = 0.0018248 k( 103) = ( 0.5000000 0.4302555 -0.0000000), wk = 0.0018248 k( 104) = ( 0.5000000 0.4394099 -0.0000000), wk = 0.0018248 k( 105) = ( 0.5000000 0.4485643 -0.0000000), wk = 0.0018248 k( 106) = ( 0.5000000 0.4577187 -0.0000000), wk = 0.0018248 k( 107) = ( 0.5000000 0.4668730 -0.0000000), wk = 0.0018248 k( 108) = ( 0.5000000 0.4760274 -0.0000000), wk = 0.0018248 k( 109) = ( 0.5000000 0.4760274 -0.0000000), wk = 0.0018248 k( 110) = ( 0.4907407 0.4760274 -0.0000000), wk = 0.0018248 k( 111) = ( 0.4814815 0.4760274 -0.0000000), wk = 0.0018248 k( 112) = ( 0.4722222 0.4760274 -0.0000000), wk = 0.0018248 k( 113) = ( 0.4629630 0.4760274 -0.0000000), wk = 0.0018248 k( 114) = ( 0.4537037 0.4760274 -0.0000000), wk = 0.0018248 k( 115) = ( 0.4444444 0.4760274 -0.0000000), wk = 0.0018248 k( 116) = ( 0.4351852 0.4760274 -0.0000000), wk = 0.0018248 k( 117) = ( 0.4259259 0.4760274 -0.0000000), wk = 0.0018248 k( 118) = ( 0.4166667 0.4760274 -0.0000000), wk = 0.0018248 k( 119) = ( 0.4074074 0.4760274 -0.0000000), wk = 0.0018248 k( 120) = ( 0.3981481 0.4760274 -0.0000000), wk = 0.0018248 k( 121) = ( 0.3888889 0.4760274 -0.0000000), wk = 0.0018248 k( 122) = ( 0.3796296 0.4760274 -0.0000000), wk = 0.0018248 k( 123) = ( 0.3703704 0.4760274 -0.0000000), wk = 0.0018248 k( 124) = ( 0.3611111 0.4760274 -0.0000000), wk = 0.0018248 k( 125) = ( 0.3518519 0.4760274 -0.0000000), wk = 0.0018248 k( 126) = ( 0.3425926 0.4760274 -0.0000000), wk = 0.0018248 k( 127) = ( 0.3333333 0.4760274 -0.0000000), wk = 0.0018248 k( 128) = ( 0.3240741 0.4760274 -0.0000000), wk = 0.0018248 k( 129) = ( 0.3148148 0.4760274 -0.0000000), wk = 0.0018248 k( 130) = ( 0.3055556 0.4760274 -0.0000000), wk = 0.0018248 k( 131) = ( 0.2962963 0.4760274 -0.0000000), wk = 0.0018248 k( 132) = ( 0.2870370 0.4760274 -0.0000000), wk = 0.0018248 k( 133) = ( 0.2777778 0.4760274 -0.0000000), wk = 0.0018248 k( 134) = ( 0.2685185 0.4760274 -0.0000000), wk = 0.0018248 k( 135) = ( 0.2592593 0.4760274 -0.0000000), wk = 0.0018248 k( 136) = ( 0.2500000 0.4760274 -0.0000000), wk = 0.0018248 k( 137) = ( 0.2407407 0.4760274 -0.0000000), wk = 0.0018248 k( 138) = ( 0.2314815 0.4760274 -0.0000000), wk = 0.0018248 k( 139) = ( 0.2222222 0.4760274 -0.0000000), wk = 0.0018248 k( 140) = ( 0.2129630 0.4760274 -0.0000000), wk = 0.0018248 k( 141) = ( 0.2037037 0.4760274 -0.0000000), wk = 0.0018248 k( 142) = ( 0.1944444 0.4760274 -0.0000000), wk = 0.0018248 k( 143) = ( 0.1851852 0.4760274 -0.0000000), wk = 0.0018248 k( 144) = ( 0.1759259 0.4760274 -0.0000000), wk = 0.0018248 k( 145) = ( 0.1666667 0.4760274 -0.0000000), wk = 0.0018248 k( 146) = ( 0.1574074 0.4760274 -0.0000000), wk = 0.0018248 k( 147) = ( 0.1481482 0.4760274 -0.0000000), wk = 0.0018248 k( 148) = ( 0.1388889 0.4760274 -0.0000000), wk = 0.0018248 k( 149) = ( 0.1296296 0.4760274 -0.0000000), wk = 0.0018248 k( 150) = ( 0.1203704 0.4760274 -0.0000000), wk = 0.0018248 k( 151) = ( 0.1111111 0.4760274 -0.0000000), wk = 0.0018248 k( 152) = ( 0.1018518 0.4760274 -0.0000000), wk = 0.0018248 k( 153) = ( 0.0925926 0.4760274 -0.0000000), wk = 0.0018248 k( 154) = ( 0.0833333 0.4760274 -0.0000000), wk = 0.0018248 k( 155) = ( 0.0740741 0.4760274 -0.0000000), wk = 0.0018248 k( 156) = ( 0.0648148 0.4760274 -0.0000000), wk = 0.0018248 k( 157) = ( 0.0555556 0.4760274 -0.0000000), wk = 0.0018248 k( 158) = ( 0.0462963 0.4760274 -0.0000000), wk = 0.0018248 k( 159) = ( 0.0370370 0.4760274 -0.0000000), wk = 0.0018248 k( 160) = ( 0.0277778 0.4760274 -0.0000000), wk = 0.0018248 k( 161) = ( 0.0185185 0.4760274 -0.0000000), wk = 0.0018248 k( 162) = ( 0.0092593 0.4760274 -0.0000000), wk = 0.0018248 k( 163) = ( 0.0000000 0.4760274 -0.0000000), wk = 0.0018248 k( 164) = ( 0.0000000 0.4760274 -0.0000000), wk = 0.0018248 k( 165) = ( 0.0000000 0.4668730 -0.0000000), wk = 0.0018248 k( 166) = ( 0.0000000 0.4577187 -0.0000000), wk = 0.0018248 k( 167) = ( 0.0000000 0.4485643 -0.0000000), wk = 0.0018248 k( 168) = ( 0.0000000 0.4394099 -0.0000000), wk = 0.0018248 k( 169) = ( 0.0000000 0.4302555 -0.0000000), wk = 0.0018248 k( 170) = ( 0.0000000 0.4211012 -0.0000000), wk = 0.0018248 k( 171) = ( 0.0000000 0.4119468 -0.0000000), wk = 0.0018248 k( 172) = ( 0.0000000 0.4027924 -0.0000000), wk = 0.0018248 k( 173) = ( 0.0000000 0.3936380 -0.0000000), wk = 0.0018248 k( 174) = ( 0.0000000 0.3844837 -0.0000000), wk = 0.0018248 k( 175) = ( 0.0000000 0.3753293 -0.0000000), wk = 0.0018248 k( 176) = ( 0.0000000 0.3661749 -0.0000000), wk = 0.0018248 k( 177) = ( 0.0000000 0.3570205 -0.0000000), wk = 0.0018248 k( 178) = ( 0.0000000 0.3478662 -0.0000000), wk = 0.0018248 k( 179) = ( 0.0000000 0.3387118 -0.0000000), wk = 0.0018248 k( 180) = ( 0.0000000 0.3295574 -0.0000000), wk = 0.0018248 k( 181) = ( 0.0000000 0.3204031 -0.0000000), wk = 0.0018248 k( 182) = ( 0.0000000 0.3112487 -0.0000000), wk = 0.0018248 k( 183) = ( 0.0000000 0.3020943 -0.0000000), wk = 0.0018248 k( 184) = ( 0.0000000 0.2929399 -0.0000000), wk = 0.0018248 k( 185) = ( 0.0000000 0.2837856 -0.0000000), wk = 0.0018248 k( 186) = ( 0.0000000 0.2746312 -0.0000000), wk = 0.0018248 k( 187) = ( 0.0000000 0.2654768 -0.0000000), wk = 0.0018248 k( 188) = ( 0.0000000 0.2563224 -0.0000000), wk = 0.0018248 k( 189) = ( 0.0000000 0.2471681 -0.0000000), wk = 0.0018248 k( 190) = ( 0.0000000 0.2380137 -0.0000000), wk = 0.0018248 k( 191) = ( 0.0000000 0.2288593 -0.0000000), wk = 0.0018248 k( 192) = ( 0.0000000 0.2197050 -0.0000000), wk = 0.0018248 k( 193) = ( 0.0000000 0.2105506 -0.0000000), wk = 0.0018248 k( 194) = ( 0.0000000 0.2013962 -0.0000000), wk = 0.0018248 k( 195) = ( 0.0000000 0.1922418 -0.0000000), wk = 0.0018248 k( 196) = ( 0.0000000 0.1830875 -0.0000000), wk = 0.0018248 k( 197) = ( 0.0000000 0.1739331 -0.0000000), wk = 0.0018248 k( 198) = ( 0.0000000 0.1647787 -0.0000000), wk = 0.0018248 k( 199) = ( 0.0000000 0.1556243 -0.0000000), wk = 0.0018248 k( 200) = ( 0.0000000 0.1464700 -0.0000000), wk = 0.0018248 k( 201) = ( 0.0000000 0.1373156 -0.0000000), wk = 0.0018248 k( 202) = ( 0.0000000 0.1281612 -0.0000000), wk = 0.0018248 k( 203) = ( 0.0000000 0.1190068 -0.0000000), wk = 0.0018248 k( 204) = ( 0.0000000 0.1098525 -0.0000000), wk = 0.0018248 k( 205) = ( 0.0000000 0.1006981 -0.0000000), wk = 0.0018248 k( 206) = ( 0.0000000 0.0915437 -0.0000000), wk = 0.0018248 k( 207) = ( 0.0000000 0.0823894 -0.0000000), wk = 0.0018248 k( 208) = ( 0.0000000 0.0732350 -0.0000000), wk = 0.0018248 k( 209) = ( 0.0000000 0.0640806 -0.0000000), wk = 0.0018248 k( 210) = ( 0.0000000 0.0549262 -0.0000000), wk = 0.0018248 k( 211) = ( 0.0000000 0.0457719 -0.0000000), wk = 0.0018248 k( 212) = ( 0.0000000 0.0366175 -0.0000000), wk = 0.0018248 k( 213) = ( 0.0000000 0.0274631 -0.0000000), wk = 0.0018248 k( 214) = ( 0.0000000 0.0183087 -0.0000000), wk = 0.0018248 k( 215) = ( 0.0000000 0.0091544 -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 0.0092782), wk = 0.0018248 k( 219) = ( 0.0000000 0.0000000 0.0185564), wk = 0.0018248 k( 220) = ( 0.0000000 0.0000000 0.0278346), wk = 0.0018248 k( 221) = ( 0.0000000 0.0000000 0.0371129), wk = 0.0018248 k( 222) = ( 0.0000000 0.0000000 0.0463911), wk = 0.0018248 k( 223) = ( 0.0000000 0.0000000 0.0556693), wk = 0.0018248 k( 224) = ( 0.0000000 0.0000000 0.0649475), wk = 0.0018248 k( 225) = ( 0.0000000 0.0000000 0.0742257), wk = 0.0018248 k( 226) = ( 0.0000000 0.0000000 0.0835039), wk = 0.0018248 k( 227) = ( 0.0000000 0.0000000 0.0927821), wk = 0.0018248 k( 228) = ( 0.0000000 0.0000000 0.1020603), wk = 0.0018248 k( 229) = ( 0.0000000 0.0000000 0.1113386), wk = 0.0018248 k( 230) = ( 0.0000000 0.0000000 0.1206168), wk = 0.0018248 k( 231) = ( 0.0000000 0.0000000 0.1298950), wk = 0.0018248 k( 232) = ( 0.0000000 0.0000000 0.1391732), wk = 0.0018248 k( 233) = ( 0.0000000 0.0000000 0.1484514), wk = 0.0018248 k( 234) = ( 0.0000000 0.0000000 0.1577296), wk = 0.0018248 k( 235) = ( 0.0000000 0.0000000 0.1670078), wk = 0.0018248 k( 236) = ( 0.0000000 0.0000000 0.1762860), wk = 0.0018248 k( 237) = ( 0.0000000 0.0000000 0.1855643), wk = 0.0018248 k( 238) = ( 0.0000000 0.0000000 0.1948425), wk = 0.0018248 k( 239) = ( 0.0000000 0.0000000 0.2041207), wk = 0.0018248 k( 240) = ( 0.0000000 0.0000000 0.2133989), wk = 0.0018248 k( 241) = ( 0.0000000 0.0000000 0.2226771), wk = 0.0018248 k( 242) = ( 0.0000000 0.0000000 0.2319553), wk = 0.0018248 k( 243) = ( 0.0000000 0.0000000 0.2412335), wk = 0.0018248 k( 244) = ( 0.0000000 0.0000000 0.2505117), wk = 0.0018248 k( 245) = ( 0.0000000 0.0000000 0.2597900), wk = 0.0018248 k( 246) = ( 0.0000000 0.0000000 0.2597900), wk = 0.0018248 k( 247) = ( 0.0092593 -0.0000000 0.2597900), wk = 0.0018248 k( 248) = ( 0.0185185 -0.0000000 0.2597900), wk = 0.0018248 k( 249) = ( 0.0277778 -0.0000000 0.2597900), wk = 0.0018248 k( 250) = ( 0.0370370 -0.0000000 0.2597900), wk = 0.0018248 k( 251) = ( 0.0462963 -0.0000000 0.2597900), wk = 0.0018248 k( 252) = ( 0.0555556 -0.0000000 0.2597900), wk = 0.0018248 k( 253) = ( 0.0648148 -0.0000000 0.2597900), wk = 0.0018248 k( 254) = ( 0.0740741 -0.0000000 0.2597900), wk = 0.0018248 k( 255) = ( 0.0833333 -0.0000000 0.2597900), wk = 0.0018248 k( 256) = ( 0.0925926 -0.0000000 0.2597900), wk = 0.0018248 k( 257) = ( 0.1018518 -0.0000000 0.2597900), wk = 0.0018248 k( 258) = ( 0.1111111 -0.0000000 0.2597900), wk = 0.0018248 k( 259) = ( 0.1203704 -0.0000000 0.2597900), wk = 0.0018248 k( 260) = ( 0.1296296 -0.0000000 0.2597900), wk = 0.0018248 k( 261) = ( 0.1388889 -0.0000000 0.2597900), wk = 0.0018248 k( 262) = ( 0.1481482 -0.0000000 0.2597900), wk = 0.0018248 k( 263) = ( 0.1574074 -0.0000000 0.2597900), wk = 0.0018248 k( 264) = ( 0.1666667 -0.0000000 0.2597900), wk = 0.0018248 k( 265) = ( 0.1759259 -0.0000000 0.2597900), wk = 0.0018248 k( 266) = ( 0.1851852 -0.0000000 0.2597900), wk = 0.0018248 k( 267) = ( 0.1944444 -0.0000000 0.2597900), wk = 0.0018248 k( 268) = ( 0.2037037 -0.0000000 0.2597900), wk = 0.0018248 k( 269) = ( 0.2129630 -0.0000000 0.2597900), wk = 0.0018248 k( 270) = ( 0.2222222 -0.0000000 0.2597900), wk = 0.0018248 k( 271) = ( 0.2314815 -0.0000000 0.2597900), wk = 0.0018248 k( 272) = ( 0.2407407 -0.0000000 0.2597900), wk = 0.0018248 k( 273) = ( 0.2500000 -0.0000000 0.2597900), wk = 0.0018248 k( 274) = ( 0.2592593 -0.0000000 0.2597900), wk = 0.0018248 k( 275) = ( 0.2685185 -0.0000000 0.2597900), wk = 0.0018248 k( 276) = ( 0.2777778 -0.0000000 0.2597900), wk = 0.0018248 k( 277) = ( 0.2870370 -0.0000000 0.2597900), wk = 0.0018248 k( 278) = ( 0.2962963 -0.0000000 0.2597900), wk = 0.0018248 k( 279) = ( 0.3055556 -0.0000000 0.2597900), wk = 0.0018248 k( 280) = ( 0.3148148 -0.0000000 0.2597900), wk = 0.0018248 k( 281) = ( 0.3240741 -0.0000000 0.2597900), wk = 0.0018248 k( 282) = ( 0.3333333 -0.0000000 0.2597900), wk = 0.0018248 k( 283) = ( 0.3425926 -0.0000000 0.2597900), wk = 0.0018248 k( 284) = ( 0.3518519 -0.0000000 0.2597900), wk = 0.0018248 k( 285) = ( 0.3611111 -0.0000000 0.2597900), wk = 0.0018248 k( 286) = ( 0.3703704 -0.0000000 0.2597900), wk = 0.0018248 k( 287) = ( 0.3796296 -0.0000000 0.2597900), wk = 0.0018248 k( 288) = ( 0.3888889 -0.0000000 0.2597900), wk = 0.0018248 k( 289) = ( 0.3981481 -0.0000000 0.2597900), wk = 0.0018248 k( 290) = ( 0.4074074 -0.0000000 0.2597900), wk = 0.0018248 k( 291) = ( 0.4166667 -0.0000000 0.2597900), wk = 0.0018248 k( 292) = ( 0.4259259 -0.0000000 0.2597900), wk = 0.0018248 k( 293) = ( 0.4351852 -0.0000000 0.2597900), wk = 0.0018248 k( 294) = ( 0.4444444 -0.0000000 0.2597900), wk = 0.0018248 k( 295) = ( 0.4537037 -0.0000000 0.2597900), wk = 0.0018248 k( 296) = ( 0.4629630 -0.0000000 0.2597900), wk = 0.0018248 k( 297) = ( 0.4722222 -0.0000000 0.2597900), wk = 0.0018248 k( 298) = ( 0.4814815 -0.0000000 0.2597900), wk = 0.0018248 k( 299) = ( 0.4907407 -0.0000000 0.2597900), wk = 0.0018248 k( 300) = ( 0.5000000 -0.0000000 0.2597900), wk = 0.0018248 k( 301) = ( 0.5000000 -0.0000000 0.2597900), wk = 0.0018248 k( 302) = ( 0.5000000 0.0091544 0.2597900), wk = 0.0018248 k( 303) = ( 0.5000000 0.0183087 0.2597900), wk = 0.0018248 k( 304) = ( 0.5000000 0.0274631 0.2597900), wk = 0.0018248 k( 305) = ( 0.5000000 0.0366175 0.2597900), wk = 0.0018248 k( 306) = ( 0.5000000 0.0457719 0.2597900), wk = 0.0018248 k( 307) = ( 0.5000000 0.0549262 0.2597900), wk = 0.0018248 k( 308) = ( 0.5000000 0.0640806 0.2597900), wk = 0.0018248 k( 309) = ( 0.5000000 0.0732350 0.2597900), wk = 0.0018248 k( 310) = ( 0.5000000 0.0823894 0.2597900), wk = 0.0018248 k( 311) = ( 0.5000000 0.0915437 0.2597900), wk = 0.0018248 k( 312) = ( 0.5000000 0.1006981 0.2597900), wk = 0.0018248 k( 313) = ( 0.5000000 0.1098525 0.2597900), wk = 0.0018248 k( 314) = ( 0.5000000 0.1190068 0.2597900), wk = 0.0018248 k( 315) = ( 0.5000000 0.1281612 0.2597900), wk = 0.0018248 k( 316) = ( 0.5000000 0.1373156 0.2597900), wk = 0.0018248 k( 317) = ( 0.5000000 0.1464700 0.2597900), wk = 0.0018248 k( 318) = ( 0.5000000 0.1556243 0.2597900), wk = 0.0018248 k( 319) = ( 0.5000000 0.1647787 0.2597900), wk = 0.0018248 k( 320) = ( 0.5000000 0.1739331 0.2597900), wk = 0.0018248 k( 321) = ( 0.5000000 0.1830875 0.2597900), wk = 0.0018248 k( 322) = ( 0.5000000 0.1922418 0.2597900), wk = 0.0018248 k( 323) = ( 0.5000000 0.2013962 0.2597900), wk = 0.0018248 k( 324) = ( 0.5000000 0.2105506 0.2597900), wk = 0.0018248 k( 325) = ( 0.5000000 0.2197050 0.2597900), wk = 0.0018248 k( 326) = ( 0.5000000 0.2288593 0.2597900), wk = 0.0018248 k( 327) = ( 0.5000000 0.2380137 0.2597900), wk = 0.0018248 k( 328) = ( 0.5000000 0.2471681 0.2597900), wk = 0.0018248 k( 329) = ( 0.5000000 0.2563224 0.2597900), wk = 0.0018248 k( 330) = ( 0.5000000 0.2654768 0.2597900), wk = 0.0018248 k( 331) = ( 0.5000000 0.2746312 0.2597900), wk = 0.0018248 k( 332) = ( 0.5000000 0.2837856 0.2597900), wk = 0.0018248 k( 333) = ( 0.5000000 0.2929399 0.2597900), wk = 0.0018248 k( 334) = ( 0.5000000 0.3020943 0.2597900), wk = 0.0018248 k( 335) = ( 0.5000000 0.3112487 0.2597900), wk = 0.0018248 k( 336) = ( 0.5000000 0.3204031 0.2597900), wk = 0.0018248 k( 337) = ( 0.5000000 0.3295574 0.2597900), wk = 0.0018248 k( 338) = ( 0.5000000 0.3387118 0.2597900), wk = 0.0018248 k( 339) = ( 0.5000000 0.3478662 0.2597900), wk = 0.0018248 k( 340) = ( 0.5000000 0.3570205 0.2597900), wk = 0.0018248 k( 341) = ( 0.5000000 0.3661749 0.2597900), wk = 0.0018248 k( 342) = ( 0.5000000 0.3753293 0.2597900), wk = 0.0018248 k( 343) = ( 0.5000000 0.3844837 0.2597900), wk = 0.0018248 k( 344) = ( 0.5000000 0.3936380 0.2597900), wk = 0.0018248 k( 345) = ( 0.5000000 0.4027924 0.2597900), wk = 0.0018248 k( 346) = ( 0.5000000 0.4119468 0.2597900), wk = 0.0018248 k( 347) = ( 0.5000000 0.4211012 0.2597900), wk = 0.0018248 k( 348) = ( 0.5000000 0.4302555 0.2597900), wk = 0.0018248 k( 349) = ( 0.5000000 0.4394099 0.2597900), wk = 0.0018248 k( 350) = ( 0.5000000 0.4485643 0.2597900), wk = 0.0018248 k( 351) = ( 0.5000000 0.4577187 0.2597900), wk = 0.0018248 k( 352) = ( 0.5000000 0.4668730 0.2597900), wk = 0.0018248 k( 353) = ( 0.5000000 0.4760274 0.2597900), wk = 0.0018248 k( 354) = ( 0.5000000 0.4760274 0.2597900), wk = 0.0018248 k( 355) = ( 0.4907407 0.4760274 0.2597900), wk = 0.0018248 k( 356) = ( 0.4814815 0.4760274 0.2597900), wk = 0.0018248 k( 357) = ( 0.4722222 0.4760274 0.2597900), wk = 0.0018248 k( 358) = ( 0.4629630 0.4760274 0.2597900), wk = 0.0018248 k( 359) = ( 0.4537037 0.4760274 0.2597900), wk = 0.0018248 k( 360) = ( 0.4444444 0.4760274 0.2597900), wk = 0.0018248 k( 361) = ( 0.4351852 0.4760274 0.2597900), wk = 0.0018248 k( 362) = ( 0.4259259 0.4760274 0.2597900), wk = 0.0018248 k( 363) = ( 0.4166667 0.4760274 0.2597900), wk = 0.0018248 k( 364) = ( 0.4074074 0.4760274 0.2597900), wk = 0.0018248 k( 365) = ( 0.3981481 0.4760274 0.2597900), wk = 0.0018248 k( 366) = ( 0.3888889 0.4760274 0.2597900), wk = 0.0018248 k( 367) = ( 0.3796296 0.4760274 0.2597900), wk = 0.0018248 k( 368) = ( 0.3703704 0.4760274 0.2597900), wk = 0.0018248 k( 369) = ( 0.3611111 0.4760274 0.2597900), wk = 0.0018248 k( 370) = ( 0.3518519 0.4760274 0.2597900), wk = 0.0018248 k( 371) = ( 0.3425926 0.4760274 0.2597900), wk = 0.0018248 k( 372) = ( 0.3333333 0.4760274 0.2597900), wk = 0.0018248 k( 373) = ( 0.3240741 0.4760274 0.2597900), wk = 0.0018248 k( 374) = ( 0.3148148 0.4760274 0.2597900), wk = 0.0018248 k( 375) = ( 0.3055556 0.4760274 0.2597900), wk = 0.0018248 k( 376) = ( 0.2962963 0.4760274 0.2597900), wk = 0.0018248 k( 377) = ( 0.2870370 0.4760274 0.2597900), wk = 0.0018248 k( 378) = ( 0.2777778 0.4760274 0.2597900), wk = 0.0018248 k( 379) = ( 0.2685185 0.4760274 0.2597900), wk = 0.0018248 k( 380) = ( 0.2592593 0.4760274 0.2597900), wk = 0.0018248 k( 381) = ( 0.2500000 0.4760274 0.2597900), wk = 0.0018248 k( 382) = ( 0.2407407 0.4760274 0.2597900), wk = 0.0018248 k( 383) = ( 0.2314815 0.4760274 0.2597900), wk = 0.0018248 k( 384) = ( 0.2222222 0.4760274 0.2597900), wk = 0.0018248 k( 385) = ( 0.2129630 0.4760274 0.2597900), wk = 0.0018248 k( 386) = ( 0.2037037 0.4760274 0.2597900), wk = 0.0018248 k( 387) = ( 0.1944444 0.4760274 0.2597900), wk = 0.0018248 k( 388) = ( 0.1851852 0.4760274 0.2597900), wk = 0.0018248 k( 389) = ( 0.1759259 0.4760274 0.2597900), wk = 0.0018248 k( 390) = ( 0.1666667 0.4760274 0.2597900), wk = 0.0018248 k( 391) = ( 0.1574074 0.4760274 0.2597900), wk = 0.0018248 k( 392) = ( 0.1481482 0.4760274 0.2597900), wk = 0.0018248 k( 393) = ( 0.1388889 0.4760274 0.2597900), wk = 0.0018248 k( 394) = ( 0.1296296 0.4760274 0.2597900), wk = 0.0018248 k( 395) = ( 0.1203704 0.4760274 0.2597900), wk = 0.0018248 k( 396) = ( 0.1111111 0.4760274 0.2597900), wk = 0.0018248 k( 397) = ( 0.1018518 0.4760274 0.2597900), wk = 0.0018248 k( 398) = ( 0.0925926 0.4760274 0.2597900), wk = 0.0018248 k( 399) = ( 0.0833333 0.4760274 0.2597900), wk = 0.0018248 k( 400) = ( 0.0740741 0.4760274 0.2597900), wk = 0.0018248 k( 401) = ( 0.0648148 0.4760274 0.2597900), wk = 0.0018248 k( 402) = ( 0.0555556 0.4760274 0.2597900), wk = 0.0018248 k( 403) = ( 0.0462963 0.4760274 0.2597900), wk = 0.0018248 k( 404) = ( 0.0370370 0.4760274 0.2597900), wk = 0.0018248 k( 405) = ( 0.0277778 0.4760274 0.2597900), wk = 0.0018248 k( 406) = ( 0.0185185 0.4760274 0.2597900), wk = 0.0018248 k( 407) = ( 0.0092593 0.4760274 0.2597900), wk = 0.0018248 k( 408) = ( 0.0000000 0.4760274 0.2597900), wk = 0.0018248 k( 409) = ( 0.0000000 0.4760274 0.2597900), wk = 0.0018248 k( 410) = ( 0.0000000 0.4668730 0.2597900), wk = 0.0018248 k( 411) = ( 0.0000000 0.4577187 0.2597900), wk = 0.0018248 k( 412) = ( 0.0000000 0.4485643 0.2597900), wk = 0.0018248 k( 413) = ( 0.0000000 0.4394099 0.2597900), wk = 0.0018248 k( 414) = ( 0.0000000 0.4302555 0.2597900), wk = 0.0018248 k( 415) = ( 0.0000000 0.4211012 0.2597900), wk = 0.0018248 k( 416) = ( 0.0000000 0.4119468 0.2597900), wk = 0.0018248 k( 417) = ( 0.0000000 0.4027924 0.2597900), wk = 0.0018248 k( 418) = ( 0.0000000 0.3936380 0.2597900), wk = 0.0018248 k( 419) = ( 0.0000000 0.3844837 0.2597900), wk = 0.0018248 k( 420) = ( 0.0000000 0.3753293 0.2597900), wk = 0.0018248 k( 421) = ( 0.0000000 0.3661749 0.2597900), wk = 0.0018248 k( 422) = ( 0.0000000 0.3570205 0.2597900), wk = 0.0018248 k( 423) = ( 0.0000000 0.3478662 0.2597900), wk = 0.0018248 k( 424) = ( 0.0000000 0.3387118 0.2597900), wk = 0.0018248 k( 425) = ( 0.0000000 0.3295574 0.2597900), wk = 0.0018248 k( 426) = ( 0.0000000 0.3204031 0.2597900), wk = 0.0018248 k( 427) = ( 0.0000000 0.3112487 0.2597900), wk = 0.0018248 k( 428) = ( 0.0000000 0.3020943 0.2597900), wk = 0.0018248 k( 429) = ( 0.0000000 0.2929399 0.2597900), wk = 0.0018248 k( 430) = ( 0.0000000 0.2837856 0.2597900), wk = 0.0018248 k( 431) = ( 0.0000000 0.2746312 0.2597900), wk = 0.0018248 k( 432) = ( 0.0000000 0.2654768 0.2597900), wk = 0.0018248 k( 433) = ( 0.0000000 0.2563224 0.2597900), wk = 0.0018248 k( 434) = ( 0.0000000 0.2471681 0.2597900), wk = 0.0018248 k( 435) = ( 0.0000000 0.2380137 0.2597900), wk = 0.0018248 k( 436) = ( 0.0000000 0.2288593 0.2597900), wk = 0.0018248 k( 437) = ( 0.0000000 0.2197050 0.2597900), wk = 0.0018248 k( 438) = ( 0.0000000 0.2105506 0.2597900), wk = 0.0018248 k( 439) = ( 0.0000000 0.2013962 0.2597900), wk = 0.0018248 k( 440) = ( 0.0000000 0.1922418 0.2597900), wk = 0.0018248 k( 441) = ( 0.0000000 0.1830875 0.2597900), wk = 0.0018248 k( 442) = ( 0.0000000 0.1739331 0.2597900), wk = 0.0018248 k( 443) = ( 0.0000000 0.1647787 0.2597900), wk = 0.0018248 k( 444) = ( 0.0000000 0.1556243 0.2597900), wk = 0.0018248 k( 445) = ( 0.0000000 0.1464700 0.2597900), wk = 0.0018248 k( 446) = ( 0.0000000 0.1373156 0.2597900), wk = 0.0018248 k( 447) = ( 0.0000000 0.1281612 0.2597900), wk = 0.0018248 k( 448) = ( 0.0000000 0.1190068 0.2597900), wk = 0.0018248 k( 449) = ( 0.0000000 0.1098525 0.2597900), wk = 0.0018248 k( 450) = ( 0.0000000 0.1006981 0.2597900), wk = 0.0018248 k( 451) = ( 0.0000000 0.0915437 0.2597900), wk = 0.0018248 k( 452) = ( 0.0000000 0.0823894 0.2597900), wk = 0.0018248 k( 453) = ( 0.0000000 0.0732350 0.2597900), wk = 0.0018248 k( 454) = ( 0.0000000 0.0640806 0.2597900), wk = 0.0018248 k( 455) = ( 0.0000000 0.0549262 0.2597900), wk = 0.0018248 k( 456) = ( 0.0000000 0.0457719 0.2597900), wk = 0.0018248 k( 457) = ( 0.0000000 0.0366175 0.2597900), wk = 0.0018248 k( 458) = ( 0.0000000 0.0274631 0.2597900), wk = 0.0018248 k( 459) = ( 0.0000000 0.0183087 0.2597900), wk = 0.0018248 k( 460) = ( 0.0000000 0.0091544 0.2597900), wk = 0.0018248 k( 461) = ( 0.0000000 0.0000000 0.2597900), wk = 0.0018248 k( 462) = ( 0.0000000 0.4760274 -0.0000000), wk = 0.0018248 k( 463) = ( 0.0000000 0.4760274 0.0092782), wk = 0.0018248 k( 464) = ( 0.0000000 0.4760274 0.0185564), wk = 0.0018248 k( 465) = ( 0.0000000 0.4760274 0.0278346), wk = 0.0018248 k( 466) = ( 0.0000000 0.4760274 0.0371129), wk = 0.0018248 k( 467) = ( 0.0000000 0.4760274 0.0463911), wk = 0.0018248 k( 468) = ( 0.0000000 0.4760274 0.0556693), wk = 0.0018248 k( 469) = ( 0.0000000 0.4760274 0.0649475), wk = 0.0018248 k( 470) = ( 0.0000000 0.4760274 0.0742257), wk = 0.0018248 k( 471) = ( 0.0000000 0.4760274 0.0835039), wk = 0.0018248 k( 472) = ( 0.0000000 0.4760274 0.0927821), wk = 0.0018248 k( 473) = ( 0.0000000 0.4760274 0.1020603), wk = 0.0018248 k( 474) = ( 0.0000000 0.4760274 0.1113386), wk = 0.0018248 k( 475) = ( 0.0000000 0.4760274 0.1206168), wk = 0.0018248 k( 476) = ( 0.0000000 0.4760274 0.1298950), wk = 0.0018248 k( 477) = ( 0.0000000 0.4760274 0.1391732), wk = 0.0018248 k( 478) = ( 0.0000000 0.4760274 0.1484514), wk = 0.0018248 k( 479) = ( 0.0000000 0.4760274 0.1577296), wk = 0.0018248 k( 480) = ( 0.0000000 0.4760274 0.1670078), wk = 0.0018248 k( 481) = ( 0.0000000 0.4760274 0.1762860), wk = 0.0018248 k( 482) = ( 0.0000000 0.4760274 0.1855643), wk = 0.0018248 k( 483) = ( 0.0000000 0.4760274 0.1948425), wk = 0.0018248 k( 484) = ( 0.0000000 0.4760274 0.2041207), wk = 0.0018248 k( 485) = ( 0.0000000 0.4760274 0.2133989), wk = 0.0018248 k( 486) = ( 0.0000000 0.4760274 0.2226771), wk = 0.0018248 k( 487) = ( 0.0000000 0.4760274 0.2319553), wk = 0.0018248 k( 488) = ( 0.0000000 0.4760274 0.2412335), wk = 0.0018248 k( 489) = ( 0.0000000 0.4760274 0.2505117), wk = 0.0018248 k( 490) = ( 0.0000000 0.4760274 0.2597900), wk = 0.0018248 k( 491) = ( 0.5000000 -0.0000000 0.2597900), wk = 0.0018248 k( 492) = ( 0.5000000 -0.0000000 0.2505117), wk = 0.0018248 k( 493) = ( 0.5000000 -0.0000000 0.2412335), wk = 0.0018248 k( 494) = ( 0.5000000 -0.0000000 0.2319553), wk = 0.0018248 k( 495) = ( 0.5000000 -0.0000000 0.2226771), wk = 0.0018248 k( 496) = ( 0.5000000 -0.0000000 0.2133989), wk = 0.0018248 k( 497) = ( 0.5000000 -0.0000000 0.2041207), wk = 0.0018248 k( 498) = ( 0.5000000 -0.0000000 0.1948425), wk = 0.0018248 k( 499) = ( 0.5000000 -0.0000000 0.1855643), wk = 0.0018248 k( 500) = ( 0.5000000 -0.0000000 0.1762860), wk = 0.0018248 k( 501) = ( 0.5000000 -0.0000000 0.1670078), wk = 0.0018248 k( 502) = ( 0.5000000 -0.0000000 0.1577296), wk = 0.0018248 k( 503) = ( 0.5000000 -0.0000000 0.1484514), wk = 0.0018248 k( 504) = ( 0.5000000 -0.0000000 0.1391732), wk = 0.0018248 k( 505) = ( 0.5000000 -0.0000000 0.1298950), wk = 0.0018248 k( 506) = ( 0.5000000 -0.0000000 0.1206168), wk = 0.0018248 k( 507) = ( 0.5000000 -0.0000000 0.1113386), wk = 0.0018248 k( 508) = ( 0.5000000 -0.0000000 0.1020603), wk = 0.0018248 k( 509) = ( 0.5000000 -0.0000000 0.0927821), wk = 0.0018248 k( 510) = ( 0.5000000 -0.0000000 0.0835039), wk = 0.0018248 k( 511) = ( 0.5000000 -0.0000000 0.0742257), wk = 0.0018248 k( 512) = ( 0.5000000 -0.0000000 0.0649475), wk = 0.0018248 k( 513) = ( 0.5000000 -0.0000000 0.0556693), wk = 0.0018248 k( 514) = ( 0.5000000 -0.0000000 0.0463911), wk = 0.0018248 k( 515) = ( 0.5000000 -0.0000000 0.0371129), wk = 0.0018248 k( 516) = ( 0.5000000 -0.0000000 0.0278346), wk = 0.0018248 k( 517) = ( 0.5000000 -0.0000000 0.0185564), wk = 0.0018248 k( 518) = ( 0.5000000 -0.0000000 0.0092782), wk = 0.0018248 k( 519) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 520) = ( 0.5000000 0.4760274 -0.0000000), wk = 0.0018248 k( 521) = ( 0.5000000 0.4760274 0.0092782), wk = 0.0018248 k( 522) = ( 0.5000000 0.4760274 0.0185564), wk = 0.0018248 k( 523) = ( 0.5000000 0.4760274 0.0278346), wk = 0.0018248 k( 524) = ( 0.5000000 0.4760274 0.0371129), wk = 0.0018248 k( 525) = ( 0.5000000 0.4760274 0.0463911), wk = 0.0018248 k( 526) = ( 0.5000000 0.4760274 0.0556693), wk = 0.0018248 k( 527) = ( 0.5000000 0.4760274 0.0649475), wk = 0.0018248 k( 528) = ( 0.5000000 0.4760274 0.0742257), wk = 0.0018248 k( 529) = ( 0.5000000 0.4760274 0.0835039), wk = 0.0018248 k( 530) = ( 0.5000000 0.4760274 0.0927821), wk = 0.0018248 k( 531) = ( 0.5000000 0.4760274 0.1020603), wk = 0.0018248 k( 532) = ( 0.5000000 0.4760274 0.1113386), wk = 0.0018248 k( 533) = ( 0.5000000 0.4760274 0.1206168), wk = 0.0018248 k( 534) = ( 0.5000000 0.4760274 0.1298950), wk = 0.0018248 k( 535) = ( 0.5000000 0.4760274 0.1391732), wk = 0.0018248 k( 536) = ( 0.5000000 0.4760274 0.1484514), wk = 0.0018248 k( 537) = ( 0.5000000 0.4760274 0.1577296), wk = 0.0018248 k( 538) = ( 0.5000000 0.4760274 0.1670078), wk = 0.0018248 k( 539) = ( 0.5000000 0.4760274 0.1762860), wk = 0.0018248 k( 540) = ( 0.5000000 0.4760274 0.1855643), wk = 0.0018248 k( 541) = ( 0.5000000 0.4760274 0.1948425), wk = 0.0018248 k( 542) = ( 0.5000000 0.4760274 0.2041207), wk = 0.0018248 k( 543) = ( 0.5000000 0.4760274 0.2133989), wk = 0.0018248 k( 544) = ( 0.5000000 0.4760274 0.2226771), wk = 0.0018248 k( 545) = ( 0.5000000 0.4760274 0.2319553), wk = 0.0018248 k( 546) = ( 0.5000000 0.4760274 0.2412335), wk = 0.0018248 k( 547) = ( 0.5000000 0.4760274 0.2505117), wk = 0.0018248 k( 548) = ( 0.5000000 0.4760274 0.2597900), 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 0.0961538 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 0.1538461 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 0.3461538 -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 0.4038461 -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 0.4711538 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 0.4711538 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 0.3461538 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 0.1538461 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 0.0961538 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 0.0288461 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 0.0961538 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 0.1538461 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 0.3461538 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 0.4038461 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 0.4711538 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 0.4711538 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 0.3461538 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 0.1538461 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 0.0961538 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 0.0288461 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: 21587 G-vectors FFT dimensions: ( 27, 30, 54) Smooth grid: 12007 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 ( 675) G-vector shells 0.00 Mb ( 347) 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 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.0 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.5 secs Computing kpt #: 11 total cpu time spent up to now is 5.7 secs Computing kpt #: 12 total cpu time spent up to now is 5.9 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.2 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 6.6 secs Computing kpt #: 17 total cpu time spent up to now is 6.8 secs Computing kpt #: 18 total cpu time spent up to now is 7.0 secs Computing kpt #: 19 total cpu time spent up to now is 7.1 secs Computing kpt #: 20 total cpu time spent up to now is 7.3 secs Computing kpt #: 21 total cpu time spent up to now is 7.5 secs Computing kpt #: 22 total cpu time spent up to now is 7.7 secs Computing kpt #: 23 total cpu time spent up to now is 7.9 secs Computing kpt #: 24 total cpu time spent up to now is 8.1 secs Computing kpt #: 25 total cpu time spent up to now is 8.3 secs Computing kpt #: 26 total cpu time spent up to now is 8.6 secs Computing kpt #: 27 total cpu time spent up to now is 8.8 secs Computing kpt #: 28 total cpu time spent up to now is 8.9 secs Computing kpt #: 29 total cpu time spent up to now is 9.1 secs Computing kpt #: 30 total cpu time spent up to now is 9.3 secs Computing kpt #: 31 total cpu time spent up to now is 9.5 secs Computing kpt #: 32 total cpu time spent up to now is 9.7 secs Computing kpt #: 33 total cpu time spent up to now is 9.9 secs Computing kpt #: 34 total cpu time spent up to now is 10.2 secs Computing kpt #: 35 total cpu time spent up to now is 10.4 secs Computing kpt #: 36 total cpu time spent up to now is 10.6 secs Computing kpt #: 37 total cpu time spent up to now is 10.8 secs Computing kpt #: 38 total cpu time spent up to now is 11.0 secs Computing kpt #: 39 total cpu time spent up to now is 11.2 secs Computing kpt #: 40 total cpu time spent up to now is 11.4 secs Computing kpt #: 41 total cpu time spent up to now is 11.6 secs Computing kpt #: 42 total cpu time spent up to now is 11.8 secs Computing kpt #: 43 total cpu time spent up to now is 12.0 secs Computing kpt #: 44 total cpu time spent up to now is 12.2 secs Computing kpt #: 45 total cpu time spent up to now is 12.4 secs Computing kpt #: 46 total cpu time spent up to now is 12.6 secs Computing kpt #: 47 total cpu time spent up to now is 12.9 secs Computing kpt #: 48 total cpu 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total cpu time spent up to now is 50.9 secs Computing kpt #: 234 total cpu time spent up to now is 51.1 secs Computing kpt #: 235 total cpu time spent up to now is 51.3 secs Computing kpt #: 236 total cpu time spent up to now is 51.5 secs Computing kpt #: 237 total cpu time spent up to now is 51.7 secs Computing kpt #: 238 total cpu time spent up to now is 51.9 secs Computing kpt #: 239 total cpu time spent up to now is 52.1 secs Computing kpt #: 240 total cpu time spent up to now is 52.4 secs Computing kpt #: 241 total cpu time spent up to now is 52.6 secs Computing kpt #: 242 total cpu time spent up to now is 52.8 secs Computing kpt #: 243 total cpu time spent up to now is 53.0 secs Computing kpt #: 244 total cpu time spent up to now is 53.2 secs Computing kpt #: 245 total cpu time spent up to now is 53.4 secs Computing kpt #: 246 total cpu time spent up to now is 53.6 secs Computing kpt #: 247 total cpu time spent up to now is 53.8 secs Computing kpt #: 248 total cpu time spent up 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total cpu time spent up to now is 60.7 secs Computing kpt #: 280 total cpu time spent up to now is 61.0 secs Computing kpt #: 281 total cpu time spent up to now is 61.3 secs Computing kpt #: 282 total cpu time spent up to now is 61.6 secs Computing kpt #: 283 total cpu time spent up to now is 61.9 secs Computing kpt #: 284 total cpu time spent up to now is 62.1 secs Computing kpt #: 285 total cpu time spent up to now is 62.3 secs Computing kpt #: 286 total cpu time spent up to now is 62.5 secs Computing kpt #: 287 total cpu time spent up to now is 62.7 secs Computing kpt #: 288 total cpu time spent up to now is 62.9 secs Computing kpt #: 289 total cpu time spent up to now is 63.1 secs Computing kpt #: 290 total cpu time spent up to now is 63.3 secs Computing kpt #: 291 total cpu time spent up to now is 63.5 secs Computing kpt #: 292 total cpu time spent up to now is 63.7 secs Computing kpt #: 293 total cpu time spent up to now is 63.9 secs Computing kpt #: 294 total cpu time spent up 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total cpu time spent up to now is 70.6 secs Computing kpt #: 326 total cpu time spent up to now is 70.8 secs Computing kpt #: 327 total cpu time spent up to now is 71.0 secs Computing kpt #: 328 total cpu time spent up to now is 71.3 secs Computing kpt #: 329 total cpu time spent up to now is 71.5 secs Computing kpt #: 330 total cpu time spent up to now is 71.7 secs Computing kpt #: 331 total cpu time spent up to now is 71.9 secs Computing kpt #: 332 total cpu time spent up to now is 72.0 secs Computing kpt #: 333 total cpu time spent up to now is 72.2 secs Computing kpt #: 334 total cpu time spent up to now is 72.4 secs Computing kpt #: 335 total cpu time spent up to now is 72.6 secs Computing kpt #: 336 total cpu time spent up to now is 72.8 secs Computing kpt #: 337 total cpu time spent up to now is 73.1 secs Computing kpt #: 338 total cpu time spent up to now is 73.3 secs Computing kpt #: 339 total cpu time spent up to now is 73.5 secs Computing kpt #: 340 total cpu time spent up to now is 73.7 secs Computing kpt #: 341 total cpu time spent up to now is 74.0 secs Computing kpt #: 342 total cpu time spent up to now is 74.2 secs Computing kpt #: 343 total cpu time spent up to now is 74.4 secs Computing kpt #: 344 total cpu time spent up to now is 74.6 secs Computing kpt #: 345 total cpu time spent up to now is 74.8 secs Computing kpt #: 346 total cpu time spent up to now is 75.0 secs Computing kpt #: 347 total cpu time spent up to now is 75.2 secs Computing kpt #: 348 total cpu time spent up to now is 75.4 secs Computing kpt #: 349 total cpu time spent up to now is 75.6 secs Computing kpt #: 350 total cpu time spent up to now is 75.8 secs Computing kpt #: 351 total cpu time spent up to now is 76.0 secs Computing kpt #: 352 total cpu time spent up to now is 76.1 secs Computing kpt #: 353 total cpu time spent up to now is 76.3 secs Computing kpt #: 354 total cpu time spent up to now is 76.5 secs Computing kpt #: 355 total cpu time spent up to now is 76.7 secs Computing kpt #: 356 total cpu time spent up to now is 76.9 secs Computing kpt #: 357 total cpu time spent up to now is 77.1 secs Computing kpt #: 358 total cpu time spent up to now is 77.3 secs Computing kpt #: 359 total cpu time spent up to now is 77.5 secs Computing kpt #: 360 total cpu time spent up to now is 77.7 secs Computing kpt #: 361 total cpu time spent up to now is 77.9 secs Computing kpt #: 362 total cpu time spent up to now is 78.1 secs Computing kpt #: 363 total cpu time spent up to now is 78.4 secs Computing kpt #: 364 total cpu time spent up to now is 78.6 secs Computing kpt #: 365 total cpu time spent up to now is 78.9 secs Computing kpt #: 366 total cpu time spent up to now is 79.1 secs Computing kpt #: 367 total cpu time spent up to now is 79.4 secs Computing kpt #: 368 total cpu time spent up to now is 79.6 secs Computing kpt #: 369 total cpu time spent up to now is 79.8 secs Computing kpt #: 370 total cpu time spent up to now is 80.0 secs Computing kpt #: 371 total cpu time spent up to now is 80.2 secs Computing kpt #: 372 total cpu time spent up to now is 80.4 secs Computing kpt #: 373 total cpu time spent up to now is 80.6 secs Computing kpt #: 374 total cpu time spent up to now is 80.8 secs Computing kpt #: 375 total cpu time spent up to now is 81.0 secs Computing kpt #: 376 total cpu time spent up to now is 81.3 secs Computing kpt #: 377 total cpu time spent up to now is 81.5 secs Computing kpt #: 378 total cpu time spent up to now is 81.7 secs Computing kpt #: 379 total cpu time spent up to now is 81.9 secs Computing kpt #: 380 total cpu time spent up to now is 82.2 secs Computing kpt #: 381 total cpu time spent up to now is 82.4 secs Computing kpt #: 382 total cpu time spent up to now is 82.6 secs Computing kpt #: 383 total cpu time spent up to now is 82.8 secs Computing kpt #: 384 total cpu time spent up to now is 83.0 secs Computing kpt #: 385 total cpu time spent up to now is 83.2 secs Computing kpt #: 386 total cpu time spent up to now is 83.5 secs Computing kpt #: 387 total cpu time spent up to now is 83.7 secs Computing kpt #: 388 total cpu time spent up to now is 83.9 secs Computing kpt #: 389 total cpu time spent up to now is 84.2 secs Computing kpt #: 390 total cpu time spent up to now is 84.4 secs Computing kpt #: 391 total cpu time spent up to now is 84.6 secs Computing kpt #: 392 total cpu time spent up to now is 84.8 secs Computing kpt #: 393 total cpu time spent up to now is 85.0 secs Computing kpt #: 394 total cpu time spent up to now is 85.2 secs Computing kpt #: 395 total cpu time spent up to now is 85.4 secs Computing kpt #: 396 total cpu time spent up to now is 85.6 secs Computing kpt #: 397 total cpu time spent up to now is 85.8 secs Computing kpt #: 398 total cpu time spent up to now is 86.0 secs Computing kpt #: 399 total cpu time spent up to now is 86.2 secs Computing kpt #: 400 total cpu time spent up to now is 86.4 secs Computing kpt #: 401 total cpu time spent up to now is 86.6 secs Computing kpt #: 402 total cpu time spent up to now is 86.8 secs Computing kpt #: 403 total cpu time spent up to now is 87.0 secs Computing kpt #: 404 total cpu time spent up to now is 87.3 secs Computing kpt #: 405 total cpu time spent up to now is 87.5 secs Computing kpt #: 406 total cpu time spent up to now is 87.7 secs Computing kpt #: 407 total cpu time spent up to now is 87.9 secs Computing kpt #: 408 total cpu time spent up to now is 88.1 secs Computing kpt #: 409 total cpu time spent up to now is 88.3 secs Computing kpt #: 410 total cpu time spent up to now is 88.5 secs Computing kpt #: 411 total cpu time spent up to now is 88.7 secs Computing kpt #: 412 total cpu time spent up to now is 88.9 secs Computing kpt #: 413 total cpu time spent up to now is 89.1 secs Computing kpt #: 414 total cpu time spent up to now is 89.3 secs Computing kpt #: 415 total cpu time spent up to now is 89.5 secs Computing kpt #: 416 total cpu time spent up to now is 89.7 secs Computing kpt #: 417 total cpu time spent up to now is 89.9 secs Computing kpt #: 418 total cpu time spent up to now is 90.1 secs Computing kpt #: 419 total cpu time spent up to now is 90.3 secs Computing kpt #: 420 total cpu time spent up to now is 90.5 secs Computing kpt #: 421 total cpu time spent up to now is 90.7 secs Computing kpt #: 422 total cpu time spent up to now is 91.0 secs Computing kpt #: 423 total cpu time spent up to now is 91.2 secs Computing kpt #: 424 total cpu time spent up to now is 91.4 secs Computing kpt #: 425 total cpu time spent up to now is 91.6 secs Computing kpt #: 426 total cpu time spent up to now is 91.8 secs Computing kpt #: 427 total cpu time spent up to now is 92.0 secs Computing kpt #: 428 total cpu time spent up to now is 92.2 secs Computing kpt #: 429 total cpu time spent up to now is 92.4 secs Computing kpt #: 430 total cpu time spent up to now is 92.6 secs Computing kpt #: 431 total cpu time spent up to now is 92.8 secs Computing kpt #: 432 total cpu time spent up to now is 93.1 secs Computing kpt #: 433 total cpu time spent up to now is 93.4 secs Computing kpt #: 434 total cpu time spent up to now is 93.8 secs Computing kpt #: 435 total cpu time spent up to now is 94.1 secs Computing kpt #: 436 total cpu time spent up to now is 94.5 secs Computing kpt #: 437 total cpu time spent up to now is 94.8 secs Computing kpt #: 438 total cpu time spent up to now is 95.0 secs Computing kpt #: 439 total cpu time spent up to now is 95.3 secs Computing kpt #: 440 total cpu time spent up to now is 95.6 secs Computing kpt #: 441 total cpu time spent up to now is 95.9 secs Computing kpt #: 442 total cpu time spent up to now is 96.2 secs Computing kpt #: 443 total cpu time spent up to now is 96.4 secs Computing kpt #: 444 total cpu time spent up to now is 96.7 secs Computing kpt #: 445 total cpu time spent up to now is 97.0 secs Computing kpt #: 446 total cpu time spent up to now is 97.3 secs Computing kpt #: 447 total cpu time spent up to now is 97.5 secs Computing kpt #: 448 total cpu time spent up to now is 97.8 secs Computing kpt #: 449 total cpu time spent up to now is 98.1 secs Computing kpt #: 450 total cpu time spent up to now is 98.3 secs Computing kpt #: 451 total cpu time spent up to now is 98.5 secs Computing kpt #: 452 total cpu time spent up to now is 98.8 secs Computing kpt #: 453 total cpu time spent up to now is 99.0 secs Computing kpt #: 454 total cpu time spent up to now is 99.2 secs Computing kpt #: 455 total cpu time spent up to now is 99.5 secs Computing kpt #: 456 total cpu time spent up to now is 99.7 secs Computing kpt #: 457 total cpu time spent up to now is 99.9 secs Computing kpt #: 458 total cpu time spent up to now is 100.1 secs Computing kpt #: 459 total cpu time spent up to now is 100.3 secs Computing kpt #: 460 total cpu time spent up to now is 100.5 secs Computing kpt #: 461 total cpu time spent up to now is 100.7 secs Computing kpt #: 462 total cpu time spent up to now is 100.9 secs Computing kpt #: 463 total cpu time spent up to now is 101.2 secs Computing kpt #: 464 total cpu time spent up to now is 101.4 secs Computing kpt #: 465 total cpu time spent up to now is 101.6 secs Computing kpt #: 466 total cpu time spent up to now is 101.8 secs Computing kpt #: 467 total cpu time spent up to now is 102.0 secs Computing kpt #: 468 total cpu time spent up to now is 102.2 secs Computing kpt #: 469 total cpu time spent up to now is 102.4 secs Computing kpt #: 470 total cpu time spent up to now is 102.6 secs Computing kpt #: 471 total cpu time spent up to now is 102.8 secs Computing kpt #: 472 total cpu time spent up to now is 103.0 secs Computing kpt #: 473 total cpu time spent up to now is 103.2 secs Computing kpt #: 474 total cpu time spent up to now is 103.4 secs Computing kpt #: 475 total cpu time spent up to now is 103.6 secs Computing kpt #: 476 total cpu time spent up to now is 103.8 secs Computing kpt #: 477 total cpu time spent up to now is 104.0 secs Computing kpt #: 478 total cpu time spent up to now is 104.2 secs Computing kpt #: 479 total cpu time spent up to now is 104.4 secs Computing kpt #: 480 total cpu time spent up to now is 104.6 secs Computing kpt #: 481 total cpu time spent up to now is 104.8 secs Computing kpt #: 482 total cpu time spent up to now is 105.0 secs Computing kpt #: 483 total cpu time spent up to now is 105.1 secs Computing kpt #: 484 total cpu time spent up to now is 105.3 secs Computing kpt #: 485 total cpu time spent up to now is 105.5 secs Computing kpt #: 486 total cpu time spent up to now is 105.7 secs Computing kpt #: 487 total cpu time spent up to now is 105.9 secs Computing kpt #: 488 total cpu time spent up to now is 106.2 secs Computing kpt #: 489 total cpu time spent up to now is 106.4 secs Computing kpt #: 490 total cpu time spent up to now is 106.6 secs Computing kpt #: 491 total cpu time spent up to now is 106.8 secs Computing kpt #: 492 total cpu time spent up to now is 106.9 secs Computing kpt #: 493 total cpu time spent up to now is 107.2 secs Computing kpt #: 494 total cpu time spent up to now is 107.3 secs Computing kpt #: 495 total cpu time spent up to now is 107.5 secs Computing kpt #: 496 total cpu time spent up to now is 107.7 secs Computing kpt #: 497 total cpu time spent up to now is 107.8 secs Computing kpt #: 498 total cpu time spent up to now is 108.0 secs Computing kpt #: 499 total cpu time spent up to now is 108.2 secs Computing kpt #: 500 total cpu time spent up to now is 108.4 secs Computing kpt #: 501 total cpu time spent up to now is 108.5 secs Computing kpt #: 502 total cpu time spent up to now is 108.7 secs Computing kpt #: 503 total cpu time spent up to now is 108.8 secs Computing kpt #: 504 total cpu time spent up to now is 109.0 secs Computing kpt #: 505 total cpu time spent up to now is 109.2 secs Computing kpt #: 506 total cpu time spent up to now is 109.3 secs Computing kpt #: 507 total cpu time spent up to now is 109.5 secs Computing kpt #: 508 total cpu time spent up to now is 109.7 secs Computing kpt #: 509 total cpu time spent up to now is 109.9 secs Computing kpt #: 510 total cpu time spent up to now is 110.1 secs Computing kpt #: 511 total cpu time spent up to now is 110.3 secs Computing kpt #: 512 total cpu time spent up to now is 110.4 secs Computing kpt #: 513 total cpu time spent up to now is 110.7 secs Computing kpt #: 514 total cpu time spent up to now is 110.9 secs Computing kpt #: 515 total cpu time spent up to now is 111.1 secs Computing kpt #: 516 total cpu time spent up to now is 111.4 secs Computing kpt #: 517 total cpu time spent up to now is 111.6 secs Computing kpt #: 518 total cpu time spent up to now is 111.8 secs Computing kpt #: 519 total cpu time spent up to now is 112.0 secs Computing kpt #: 520 total cpu time spent up to now is 112.2 secs Computing kpt #: 521 total cpu time spent up to now is 112.4 secs Computing kpt #: 522 total cpu time spent up to now is 112.6 secs Computing kpt #: 523 total cpu time spent up to now is 112.7 secs Computing kpt #: 524 total cpu time spent up to now is 112.9 secs Computing kpt #: 525 total cpu time spent up to now is 113.1 secs Computing kpt #: 526 total cpu time spent up to now is 113.3 secs Computing kpt #: 527 total cpu time spent up to now is 113.5 secs Computing kpt #: 528 total cpu time spent up to now is 113.6 secs Computing kpt #: 529 total cpu time spent up to now is 113.8 secs Computing kpt #: 530 total cpu time spent up to now is 114.0 secs Computing kpt #: 531 total cpu time spent up to now is 114.2 secs Computing kpt #: 532 total cpu time spent up to now is 114.3 secs Computing kpt #: 533 total cpu time spent up to now is 114.5 secs Computing kpt #: 534 total cpu time spent up to now is 114.7 secs Computing kpt #: 535 total cpu time spent up to now is 114.9 secs Computing kpt #: 536 total cpu time spent up to now is 115.1 secs Computing kpt #: 537 total cpu time spent up to now is 115.3 secs Computing kpt #: 538 total cpu time spent up to now is 115.5 secs Computing kpt #: 539 total cpu time spent up to now is 115.7 secs Computing kpt #: 540 total cpu time spent up to now is 115.9 secs Computing kpt #: 541 total cpu time spent up to now is 116.1 secs Computing kpt #: 542 total cpu time spent up to now is 116.3 secs Computing kpt #: 543 total cpu time spent up to now is 116.5 secs Computing kpt #: 544 total cpu time spent up to now is 116.7 secs Computing kpt #: 545 total cpu time spent up to now is 116.9 secs Computing kpt #: 546 total cpu time spent up to now is 117.1 secs Computing kpt #: 547 total cpu time spent up to now is 117.3 secs Computing kpt #: 548 total cpu time spent up to now is 117.5 secs ethr = 5.56E-11, avg # of iterations = 26.4 total cpu time spent up to now is 117.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1493 PWs) bands (ev): -5.5765 -5.5765 -5.4566 -5.4566 -4.5960 -4.5960 -4.5536 -4.5536 -4.2631 -4.2631 -2.7480 -2.7480 2.9958 2.9958 4.3808 4.3808 13.3606 13.3606 14.8335 14.8335 16.1564 16.1564 17.0061 17.0061 18.7480 18.7480 k = 0.0093-0.0000-0.0000 ( 1489 PWs) bands (ev): -5.5761 -5.5761 -5.4565 -5.4564 -4.5961 -4.5959 -4.5537 -4.5536 -4.2635 -4.2632 -2.7465 -2.7465 2.9972 2.9974 4.3823 4.3824 13.3606 13.3615 14.8083 14.8097 16.1536 16.1640 17.0045 17.0096 18.7711 18.7725 k = 0.0185-0.0000-0.0000 ( 1497 PWs) bands (ev): -5.5749 -5.5749 -5.4564 -5.4561 -4.5961 -4.5957 -4.5541 -4.5539 -4.2643 -4.2638 -2.7419 -2.7419 3.0016 3.0018 4.3870 4.3872 13.3613 13.3631 14.7368 14.7389 16.1559 16.1755 17.0054 17.0149 18.8389 18.8425 k = 0.0278-0.0000-0.0000 ( 1497 PWs) bands (ev): -5.5730 -5.5729 -5.4561 -5.4557 -4.5960 -4.5954 -4.5547 -4.5543 -4.2656 -4.2648 -2.7344 -2.7343 3.0088 3.0092 4.3948 4.3951 13.3621 13.3649 14.6250 14.6269 16.1630 16.1899 17.0094 17.0222 18.9446 18.9523 k = 0.0370-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5704 -5.5702 -5.4556 -5.4551 -4.5960 -4.5952 -4.5554 -4.5550 -4.2673 -4.2662 -2.7237 -2.7237 3.0190 3.0195 4.4058 4.4062 13.3615 13.3656 14.4813 14.4820 16.1744 16.2067 17.0172 17.0321 19.0773 19.0938 k = 0.0463-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5670 -5.5668 -5.4550 -5.4543 -4.5958 -4.5948 -4.5563 -4.5558 -4.2695 -4.2681 -2.7101 -2.7100 3.0321 3.0327 4.4199 4.4204 13.3568 13.3628 14.3140 14.3155 16.1893 16.2256 17.0288 17.0448 19.2200 19.2581 k = 0.0556-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5629 -5.5627 -5.4542 -5.4534 -4.5956 -4.5944 -4.5574 -4.5567 -4.2721 -4.2705 -2.6934 -2.6933 3.0481 3.0489 4.4371 4.4377 13.3425 13.3510 14.1350 14.1396 16.2073 16.2468 17.0444 17.0606 19.3295 19.4362 k = 0.0648-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5582 -5.5580 -5.4533 -5.4523 -4.5954 -4.5940 -4.5586 -4.5578 -4.2751 -4.2732 -2.6736 -2.6736 3.0672 3.0681 4.4574 4.4581 13.3066 13.3185 13.9619 13.9706 16.2278 16.2702 17.0638 17.0798 19.2784 19.2915 k = 0.0741-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5530 -5.5527 -5.4521 -5.4511 -4.5951 -4.5935 -4.5599 -4.5590 -4.2785 -4.2764 -2.6509 -2.6508 3.0891 3.0902 4.4808 4.4816 13.2284 13.2435 13.8210 13.8335 16.2507 16.2962 17.0867 17.1022 19.0517 19.1135 k = 0.0833-0.0000-0.0000 ( 1509 PWs) bands (ev): -5.5472 -5.5469 -5.4507 -5.4496 -4.5948 -4.5930 -4.5613 -4.5602 -4.2822 -4.2799 -2.6250 -2.6249 3.1141 3.1153 4.5072 4.5081 13.0900 13.1055 13.7359 13.7495 16.2757 16.3247 17.1129 17.1278 18.8135 18.8902 k = 0.0926-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5410 -5.5407 -5.4491 -5.4478 -4.5944 -4.5924 -4.5627 -4.5615 -4.2863 -4.2838 -2.5962 -2.5961 3.1421 3.1434 4.5366 4.5376 12.8981 12.9119 13.7020 13.7143 16.3023 16.3560 17.1422 17.1565 18.5662 18.6501 k = 0.1019-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5345 -5.5341 -5.4473 -5.4459 -4.5941 -4.5918 -4.5642 -4.5628 -4.2908 -4.2880 -2.5643 -2.5641 3.1730 3.1745 4.5690 4.5701 12.6732 12.6848 13.6989 13.7096 16.3300 16.3900 17.1740 17.1879 18.3120 18.4016 k = 0.1111-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.5277 -5.5273 -5.4451 -5.4436 -4.5937 -4.5913 -4.5656 -4.5641 -4.2955 -4.2926 -2.5293 -2.5291 3.2070 3.2086 4.6044 4.6055 12.4299 12.4398 13.7128 13.7221 16.3578 16.4267 17.2079 17.2218 18.0527 18.1493 k = 0.1204-0.0000-0.0000 ( 1503 PWs) bands (ev): -5.5208 -5.5204 -5.4425 -5.4409 -4.5933 -4.5907 -4.5669 -4.5653 -4.3005 -4.2974 -2.4913 -2.4911 3.2441 3.2458 4.6426 4.6439 12.1761 12.1846 13.7369 13.7452 16.3842 16.4660 17.2425 17.2575 17.7908 17.8970 k = 0.1296-0.0000-0.0000 ( 1503 PWs) bands (ev): -5.5140 -5.5135 -5.4395 -5.4379 -4.5928 -4.5901 -4.5681 -4.5664 -4.3058 -4.3025 -2.4502 -2.4500 3.2842 3.2860 4.6838 4.6851 11.9162 11.9235 13.7679 13.7755 16.4058 16.5076 17.2725 17.2940 17.5322 17.6498 k = 0.1389-0.0000-0.0000 ( 1501 PWs) bands (ev): -5.5073 -5.5068 -5.4361 -5.4344 -4.5924 -4.5895 -4.5692 -4.5673 -4.3113 -4.3078 -2.4062 -2.4059 3.3275 3.3294 4.7277 4.7291 11.6525 11.6590 13.8042 13.8113 16.4162 16.5507 17.2154 17.3243 17.3603 17.4214 k = 0.1481-0.0000-0.0000 ( 1499 PWs) bands (ev): -5.5010 -5.5003 -5.4321 -5.4304 -4.5920 -4.5889 -4.5700 -4.5681 -4.3169 -4.3134 -2.3590 -2.3588 3.3738 3.3759 4.7744 4.7758 11.3867 11.3925 13.8448 13.8514 16.4016 16.5913 16.9753 17.1958 17.3739 17.3773 k = 0.1574-0.0000-0.0000 ( 1495 PWs) bands (ev): -5.4951 -5.4943 -5.4275 -5.4258 -4.5915 -4.5884 -4.5706 -4.5686 -4.3227 -4.3190 -2.3089 -2.3086 3.4233 3.4255 4.8237 4.8253 11.1199 11.1252 13.8891 13.8953 16.3369 16.5917 16.7575 17.0408 17.4039 17.4084 k = 0.1667-0.0000-0.0000 ( 1501 PWs) bands (ev): -5.4896 -5.4888 -5.4224 -5.4207 -4.5911 -4.5880 -4.5708 -4.5688 -4.3286 -4.3248 -2.2557 -2.2554 3.4760 3.4783 4.8757 4.8774 10.8529 10.8577 13.9365 13.9425 16.2008 16.3947 16.7371 16.9578 17.4280 17.4337 k = 0.1759-0.0000-0.0000 ( 1505 PWs) bands (ev): -5.4848 -5.4838 -5.4167 -5.4151 -4.5906 -4.5876 -4.5708 -4.5688 -4.3346 -4.3307 -2.1995 -2.1992 3.5319 3.5343 4.9303 4.9320 10.5863 10.5907 13.9869 13.9927 16.0042 16.1323 16.7842 16.9380 17.4363 17.4431 k = 0.1852-0.0000-0.0000 ( 1501 PWs) bands (ev): -5.4805 -5.4794 -5.4106 -5.4090 -4.5902 -4.5872 -4.5703 -4.5683 -4.3406 -4.3367 -2.1403 -2.1400 3.5910 3.5935 4.9873 4.9891 10.3205 10.3246 14.0398 14.0455 15.7737 15.8634 16.8409 16.9553 17.4144 17.4223 k = 0.1944-0.0000-0.0000 ( 1501 PWs) bands (ev): -5.4768 -5.4755 -5.4041 -5.4026 -4.5899 -4.5870 -4.5693 -4.5675 -4.3465 -4.3426 -2.0782 -2.0778 3.6533 3.6559 5.0468 5.0486 10.0560 10.0598 14.0948 14.1004 15.5270 15.5936 16.9021 16.9926 17.3459 17.3545 k = 0.2037-0.0000-0.0000 ( 1501 PWs) bands (ev): -5.4735 -5.4721 -5.3974 -5.3960 -4.5896 -4.5869 -4.5679 -4.5662 -4.3524 -4.3486 -2.0130 -2.0126 3.7189 3.7217 5.1086 5.1105 9.7931 9.7966 14.1513 14.1570 15.2731 15.3250 16.9661 17.0407 17.2256 17.2345 k = 0.2130-0.0000-0.0000 ( 1501 PWs) bands (ev): -5.4707 -5.4691 -5.3907 -5.3893 -4.5894 -4.5869 -4.5660 -4.5644 -4.3582 -4.3544 -1.9450 -1.9446 3.7878 3.7907 5.1726 5.1745 9.5321 9.5353 14.2078 14.2137 15.0177 15.0592 17.0235 17.0557 17.0747 17.1146 k = 0.2222-0.0000-0.0000 ( 1499 PWs) bands (ev): -5.4682 -5.4665 -5.3840 -5.3827 -4.5894 -4.5871 -4.5635 -4.5620 -4.3639 -4.3601 -1.8740 -1.8736 3.8601 3.8631 5.2387 5.2407 9.2731 9.2762 14.2596 14.2665 14.7674 14.8008 16.8754 16.8809 17.1084 17.1667 k = 0.2315-0.0000-0.0000 ( 1497 PWs) bands (ev): -5.4660 -5.4642 -5.3774 -5.3762 -4.5895 -4.5874 -4.5605 -4.5591 -4.3694 -4.3657 -1.8001 -1.7997 3.9357 3.9388 5.3069 5.3089 9.0165 9.0194 14.2805 14.2926 14.5496 14.5726 16.6792 16.6839 17.1806 17.2335 k = 0.2407-0.0000-0.0000 ( 1497 PWs) bands (ev): -5.4640 -5.4622 -5.3712 -5.3700 -4.5898 -4.5878 -4.5571 -4.5556 -4.3746 -4.3710 -1.7234 -1.7230 4.0147 4.0178 5.3769 5.3789 8.7625 8.7652 14.1562 14.1790 14.4794 14.4875 16.4766 16.4808 17.2562 17.3049 k = 0.2500-0.0000-0.0000 ( 1497 PWs) bands (ev): -5.4623 -5.4604 -5.3653 -5.3642 -4.5903 -4.5884 -4.5531 -4.5516 -4.3795 -4.3761 -1.6439 -1.6435 4.0970 4.1003 5.4486 5.4507 8.5112 8.5137 13.9234 13.9459 14.5202 14.5256 16.2720 16.2758 17.3345 17.3800 k = 0.2593-0.0000-0.0000 ( 1493 PWs) bands (ev): -5.4607 -5.4588 -5.3598 -5.3588 -4.5909 -4.5892 -4.5486 -4.5471 -4.3841 -4.3809 -1.5617 -1.5612 4.1828 4.1862 5.5219 5.5240 8.2628 8.2653 13.6722 13.6926 14.5822 14.5871 16.0677 16.0713 17.4153 17.4583 k = 0.2685-0.0000-0.0000 ( 1489 PWs) bands (ev): -5.4593 -5.4573 -5.3548 -5.3538 -4.5918 -4.5901 -4.5438 -4.5421 -4.3883 -4.3854 -1.4768 -1.4763 4.2721 4.2755 5.5966 5.5987 8.0177 8.0200 13.4177 13.4362 14.6501 14.6551 15.8652 15.8686 17.4985 17.5395 k = 0.2778-0.0000-0.0000 ( 1485 PWs) bands (ev): -5.4580 -5.4560 -5.3503 -5.3494 -4.5928 -4.5912 -4.5385 -4.5367 -4.3920 -4.3894 -1.3893 -1.3888 4.3647 4.3683 5.6725 5.6746 7.7760 7.7782 13.1633 13.1801 14.7204 14.7255 15.6658 15.6693 17.5840 17.6234 k = 0.2870-0.0000-0.0000 ( 1487 PWs) bands (ev): -5.4569 -5.4549 -5.3463 -5.3454 -4.5940 -4.5925 -4.5330 -4.5310 -4.3953 -4.3930 -1.2992 -1.2987 4.4608 4.4645 5.7492 5.7513 7.5380 7.5401 12.9100 12.9255 14.7909 14.7964 15.4711 15.4749 17.6717 17.7099 k = 0.2963-0.0000-0.0000 ( 1489 PWs) bands (ev): -5.4559 -5.4538 -5.3428 -5.3420 -4.5953 -4.5939 -4.5273 -4.5250 -4.3980 -4.3961 -1.2067 -1.2062 4.5604 4.5641 5.8264 5.8284 7.3042 7.3061 12.6584 12.6727 14.8573 14.8635 15.2851 15.2896 17.7615 17.7988 k = 0.3056-0.0000-0.0000 ( 1489 PWs) bands (ev): -5.4549 -5.4529 -5.3398 -5.3390 -4.5969 -4.5956 -4.5215 -4.5190 -4.4001 -4.3986 -1.1119 -1.1114 4.6634 4.6671 5.9034 5.9053 7.0752 7.0769 12.4089 12.4222 14.8999 14.9075 15.1273 15.1330 17.8534 17.8900 k = 0.3148-0.0000-0.0000 ( 1489 PWs) bands (ev): -5.4541 -5.4520 -5.3373 -5.3366 -4.5985 -4.5973 -4.5157 -4.5129 -4.4015 -4.4004 -1.0149 -1.0145 4.7697 4.7735 5.9789 5.9807 6.8522 6.8538 12.1618 12.1742 14.8340 14.8380 15.0880 15.0902 17.9472 17.9833 k = 0.3241-0.0000-0.0000 ( 1487 PWs) bands (ev): -5.4533 -5.4513 -5.3353 -5.3346 -4.6003 -4.5992 -4.5101 -4.5070 -4.4022 -4.4016 -0.9159 -0.9154 4.8794 4.8831 6.0500 6.0512 6.6388 6.6399 11.9171 11.9287 14.6786 14.6797 15.1418 15.1425 18.0428 18.0786 k = 0.3333-0.0000-0.0000 ( 1487 PWs) bands (ev): -5.4526 -5.4507 -5.3336 -5.3330 -4.6022 -4.6012 -4.5047 -4.5014 -4.4021 -4.4020 -0.8150 -0.8146 4.9922 4.9959 6.1037 6.1040 6.4478 6.4481 11.6751 11.6860 14.5095 14.5098 15.2123 15.2139 18.1401 18.1757 k = 0.3426-0.0000-0.0000 ( 1491 PWs) bands (ev): -5.4520 -5.4501 -5.3324 -5.3318 -4.6042 -4.6034 -4.4998 -4.4962 -4.4016 -4.4013 -0.7125 -0.7121 5.1079 5.1112 6.0760 6.0797 6.3393 6.3427 11.4359 11.4462 14.3411 14.3413 15.2871 15.2892 18.2390 18.2745 k = 0.3519-0.0000-0.0000 ( 1491 PWs) bands (ev): -5.4515 -5.4496 -5.3315 -5.3310 -4.6063 -4.6055 -4.4953 -4.4915 -4.4003 -4.3996 -0.6087 -0.6082 5.2253 5.2280 5.9267 5.9317 6.3608 6.3648 11.1997 11.2095 14.1767 14.1770 15.3631 15.3654 18.3392 18.3747 k = 0.3611-0.0000-0.0000 ( 1491 PWs) bands (ev): -5.4510 -5.4492 -5.3310 -5.3305 -4.6084 -4.6078 -4.4913 -4.4874 -4.3982 -4.3972 -0.5037 -0.5033 5.3408 5.3416 5.7468 5.7535 6.4234 6.4272 10.9666 10.9758 14.0176 14.0181 15.4391 15.4413 18.4406 18.4763 k = 0.3704-0.0000-0.0000 ( 1491 PWs) bands (ev): -5.4506 -5.4488 -5.3307 -5.3302 -4.6106 -4.6100 -4.4879 -4.4840 -4.3954 -4.3941 -0.3980 -0.3976 5.4150 5.4206 5.6020 5.6150 6.4941 6.4979 10.7366 10.7454 13.8647 13.8653 15.5141 15.5164 18.5430 18.5789 k = 0.3796-0.0000-0.0000 ( 1488 PWs) bands (ev): -5.4502 -5.4485 -5.3306 -5.3302 -4.6127 -4.6122 -4.4850 -4.4812 -4.3919 -4.3905 -0.2921 -0.2917 5.3151 5.3188 5.6449 5.6560 6.5663 6.5701 10.5101 10.5185 13.7186 13.7191 15.5876 15.5899 18.6460 18.6822 k = 0.3889-0.0000-0.0000 ( 1488 PWs) bands (ev): -5.4499 -5.4483 -5.3307 -5.3304 -4.6148 -4.6144 -4.4827 -4.4789 -4.3879 -4.3864 -0.1864 -0.1860 5.1455 5.1470 5.7661 5.7751 6.6377 6.6416 10.2871 10.2951 13.5798 13.5803 15.6591 15.6613 18.7492 18.7858 k = 0.3981-0.0000-0.0000 ( 1492 PWs) bands (ev): -5.4496 -5.4481 -5.3310 -5.3307 -4.6168 -4.6165 -4.4807 -4.4772 -4.3835 -4.3821 -0.0815 -0.0812 4.9724 4.9731 5.8989 5.9073 6.7072 6.7112 10.0679 10.0755 13.4488 13.4494 15.7280 15.7301 18.8524 18.8893 k = 0.4074-0.0000-0.0000 ( 1492 PWs) bands (ev): -5.4493 -5.4480 -5.3314 -5.3311 -4.6188 -4.6185 -4.4791 -4.4759 -4.3790 -4.3776 0.0216 0.0220 4.8043 4.8046 6.0367 6.0449 6.7740 6.7781 9.8528 9.8600 13.3264 13.3269 15.7937 15.7957 18.9548 18.9921 k = 0.4167-0.0000-0.0000 ( 1496 PWs) bands (ev): -5.4491 -5.4479 -5.3318 -5.3316 -4.6206 -4.6204 -4.4778 -4.4749 -4.3745 -4.3731 0.1223 0.1225 4.6439 4.6440 6.1777 6.1860 6.8373 6.8416 9.6419 9.6488 13.2130 13.2135 15.8557 15.8575 19.0559 19.0935 k = 0.4259-0.0000-0.0000 ( 1504 PWs) bands (ev): -5.4489 -5.4478 -5.3323 -5.3321 -4.6223 -4.6221 -4.4768 -4.4741 -4.3701 -4.3689 0.2192 0.2195 4.4929 4.4929 6.3211 6.3296 6.8965 6.9013 9.4359 9.4424 13.1093 13.1098 15.9133 15.9150 19.1548 19.1924 k = 0.4352-0.0000-0.0000 ( 1504 PWs) bands (ev): -5.4488 -5.4478 -5.3328 -5.3326 -4.6239 -4.6237 -4.4759 -4.4736 -4.3659 -4.3648 0.3112 0.3114 4.3529 4.3529 6.4658 6.4747 6.9513 6.9566 9.2353 9.2415 13.0159 13.0163 15.9659 15.9674 19.2503 19.2876 k = 0.4444-0.0000-0.0000 ( 1500 PWs) bands (ev): -5.4486 -5.4478 -5.3333 -5.3331 -4.6252 -4.6251 -4.4752 -4.4732 -4.3621 -4.3612 0.3967 0.3969 4.2256 4.2256 6.6103 6.6200 7.0013 7.0073 9.0412 9.0469 12.9333 12.9337 16.0130 16.0144 19.3412 19.3774 k = 0.4537-0.0000-0.0000 ( 1504 PWs) bands (ev): -5.4485 -5.4478 -5.3337 -5.3336 -4.6264 -4.6264 -4.4746 -4.4730 -4.3587 -4.3579 0.4740 0.4742 4.1128 4.1129 6.7520 6.7627 7.0468 7.0540 8.8550 8.8603 12.8623 12.8627 16.0541 16.0552 19.4257 19.4600 k = 0.4630-0.0000-0.0000 ( 1506 PWs) bands (ev): -5.4484 -5.4478 -5.3341 -5.3340 -4.6274 -4.6274 -4.4741 -4.4728 -4.3559 -4.3552 0.5411 0.5413 4.0166 4.0167 6.8852 6.8975 7.0902 7.0992 8.6795 8.6842 12.8034 12.8036 16.0885 16.0894 19.5016 19.5326 k = 0.4722-0.0000-0.0000 ( 1502 PWs) bands (ev): -5.4483 -5.4478 -5.3344 -5.3344 -4.6282 -4.6282 -4.4737 -4.4727 -4.3536 -4.3531 0.5961 0.5962 3.9390 3.9391 6.9963 7.0094 7.1410 7.1512 8.5194 8.5234 12.7570 12.7572 16.1158 16.1165 19.5664 19.5923 k = 0.4815-0.0000-0.0000 ( 1500 PWs) bands (ev): -5.4482 -5.4479 -5.3347 -5.3346 -4.6288 -4.6288 -4.4734 -4.4728 -4.3519 -4.3516 0.6371 0.6372 3.8819 3.8819 7.0653 7.0740 7.2147 7.2210 8.3835 8.3865 12.7235 12.7236 16.1356 16.1361 19.6173 19.6362 k = 0.4907-0.0000-0.0000 ( 1500 PWs) bands (ev): -5.4481 -5.4479 -5.3348 -5.3348 -4.6291 -4.6291 -4.4732 -4.4728 -4.3508 -4.3507 0.6624 0.6624 3.8468 3.8469 7.0963 7.0999 7.2866 7.2888 8.2873 8.2890 12.7033 12.7034 16.1477 16.1480 19.6515 19.6615 k = 0.5000-0.0000-0.0000 ( 1500 PWs) bands (ev): -5.4480 -5.4480 -5.3348 -5.3348 -4.6292 -4.6292 -4.4730 -4.4730 -4.3504 -4.3504 0.6710 0.6710 3.8351 3.8351 7.1060 7.1060 7.3164 7.3164 8.2520 8.2520 12.6966 12.6966 16.1519 16.1519 19.6667 19.6667 k = 0.5000-0.0000-0.0000 ( 1500 PWs) bands (ev): -5.4480 -5.4480 -5.3348 -5.3348 -4.6292 -4.6292 -4.4730 -4.4730 -4.3504 -4.3504 0.6710 0.6710 3.8351 3.8351 7.1060 7.1060 7.3164 7.3164 8.2520 8.2520 12.6966 12.6966 16.1519 16.1519 19.6667 19.6667 k = 0.5000 0.0092-0.0000 ( 1504 PWs) bands (ev): -5.4478 -5.4478 -5.3348 -5.3348 -4.6292 -4.6292 -4.4730 -4.4730 -4.3504 -4.3504 0.6724 0.6724 3.8365 3.8365 7.1076 7.1076 7.3177 7.3177 8.2535 8.2535 12.6978 12.6978 16.1301 16.1301 19.6790 19.6790 k = 0.5000 0.0183-0.0000 ( 1508 PWs) bands (ev): -5.4473 -5.4473 -5.3348 -5.3348 -4.6292 -4.6292 -4.4732 -4.4732 -4.3504 -4.3504 0.6765 0.6765 3.8407 3.8407 7.1123 7.1123 7.3217 7.3217 8.2581 8.2581 12.7015 12.7015 16.0662 16.0662 19.7135 19.7135 k = 0.5000 0.0275-0.0000 ( 1504 PWs) bands (ev): -5.4464 -5.4464 -5.3348 -5.3348 -4.6292 -4.6292 -4.4735 -4.4735 -4.3504 -4.3504 0.6835 0.6835 3.8476 3.8476 7.1201 7.1201 7.3283 7.3283 8.2658 8.2658 12.7077 12.7077 15.9641 15.9641 19.7638 19.7638 k = 0.5000 0.0366-0.0000 ( 1504 PWs) bands (ev): -5.4452 -5.4452 -5.3347 -5.3347 -4.6291 -4.6291 -4.4739 -4.4739 -4.3504 -4.3504 0.6932 0.6932 3.8574 3.8574 7.1310 7.1310 7.3375 7.3375 8.2766 8.2766 12.7164 12.7164 15.8291 15.8291 19.8200 19.8200 k = 0.5000 0.0458-0.0000 ( 1508 PWs) bands (ev): -5.4436 -5.4436 -5.3347 -5.3347 -4.6291 -4.6291 -4.4745 -4.4745 -4.3504 -4.3504 0.7057 0.7057 3.8700 3.8700 7.1451 7.1451 7.3494 7.3494 8.2904 8.2904 12.7276 12.7276 15.6670 15.6670 19.8677 19.8677 k = 0.5000 0.0549-0.0000 ( 1508 PWs) bands (ev): -5.4417 -5.4417 -5.3346 -5.3346 -4.6290 -4.6290 -4.4752 -4.4752 -4.3502 -4.3502 0.7209 0.7209 3.8853 3.8853 7.1622 7.1622 7.3640 7.3640 8.3073 8.3073 12.7412 12.7412 15.4831 15.4831 19.8319 19.8319 k = 0.5000 0.0641-0.0000 ( 1512 PWs) bands (ev): -5.4396 -5.4396 -5.3346 -5.3346 -4.6288 -4.6288 -4.4760 -4.4760 -4.3500 -4.3500 0.7390 0.7390 3.9034 3.9034 7.1823 7.1823 7.3813 7.3813 8.3271 8.3271 12.7573 12.7573 15.2821 15.2821 19.6035 19.6035 k = 0.5000 0.0732-0.0000 ( 1508 PWs) bands (ev): -5.4372 -5.4372 -5.3345 -5.3345 -4.6286 -4.6286 -4.4771 -4.4771 -4.3496 -4.3496 0.7598 0.7598 3.9241 3.9241 7.2055 7.2055 7.4013 7.4013 8.3499 8.3499 12.7759 12.7759 15.0677 15.0677 19.3518 19.3518 k = 0.5000 0.0824-0.0000 ( 1508 PWs) bands (ev): -5.4346 -5.4346 -5.3344 -5.3344 -4.6283 -4.6283 -4.4783 -4.4783 -4.3491 -4.3491 0.7834 0.7834 3.9476 3.9476 7.2317 7.2317 7.4240 7.4240 8.3756 8.3756 12.7970 12.7970 14.8431 14.8431 19.0990 19.0990 k = 0.5000 0.0915-0.0000 ( 1504 PWs) bands (ev): -5.4319 -5.4319 -5.3344 -5.3344 -4.6279 -4.6279 -4.4797 -4.4797 -4.3484 -4.3484 0.8098 0.8098 3.9738 3.9738 7.2608 7.2608 7.4494 7.4494 8.4042 8.4042 12.8206 12.8206 14.6107 14.6107 18.8475 18.8475 k = 0.5000 0.1007-0.0000 ( 1504 PWs) bands (ev): -5.4289 -5.4289 -5.3344 -5.3344 -4.6275 -4.6275 -4.4813 -4.4813 -4.3474 -4.3474 0.8390 0.8390 4.0026 4.0026 7.2928 7.2928 7.4776 7.4776 8.4355 8.4355 12.8467 12.8467 14.3724 14.3724 18.5982 18.5982 k = 0.5000 0.1099-0.0000 ( 1508 PWs) bands (ev): -5.4259 -5.4259 -5.3344 -5.3344 -4.6269 -4.6269 -4.4832 -4.4832 -4.3461 -4.3461 0.8710 0.8710 4.0340 4.0340 7.3276 7.3276 7.5087 7.5087 8.4697 8.4697 12.8752 12.8752 14.1299 14.1299 18.3514 18.3514 k = 0.5000 0.1190-0.0000 ( 1510 PWs) bands (ev): -5.4228 -5.4228 -5.3345 -5.3345 -4.6262 -4.6262 -4.4852 -4.4852 -4.3445 -4.3445 0.9057 0.9057 4.0680 4.0680 7.3653 7.3653 7.5425 7.5425 8.5065 8.5065 12.9062 12.9062 13.8842 13.8842 18.1074 18.1074 k = 0.5000 0.1282-0.0000 ( 1514 PWs) bands (ev): -5.4197 -5.4197 -5.3346 -5.3346 -4.6254 -4.6254 -4.4874 -4.4874 -4.3426 -4.3426 0.9433 0.9433 4.1045 4.1045 7.4057 7.4057 7.5792 7.5792 8.5459 8.5459 12.9397 12.9397 13.6366 13.6366 17.8664 17.8664 k = 0.5000 0.1373-0.0000 ( 1510 PWs) bands (ev): -5.4166 -5.4166 -5.3347 -5.3347 -4.6245 -4.6245 -4.4898 -4.4898 -4.3402 -4.3402 0.9837 0.9837 4.1435 4.1435 7.4488 7.4488 7.6188 7.6188 8.5879 8.5879 12.9757 12.9757 13.3878 13.3878 17.6286 17.6286 k = 0.5000 0.1465-0.0000 ( 1510 PWs) bands (ev): -5.4136 -5.4136 -5.3350 -5.3350 -4.6235 -4.6235 -4.4923 -4.4923 -4.3375 -4.3375 1.0268 1.0268 4.1849 4.1849 7.4944 7.4944 7.6612 7.6612 8.6322 8.6322 13.0140 13.0140 13.1386 13.1386 17.3941 17.3941 k = 0.5000 0.1556-0.0000 ( 1510 PWs) bands (ev): -5.4106 -5.4106 -5.3353 -5.3353 -4.6225 -4.6225 -4.4949 -4.4949 -4.3344 -4.3344 1.0728 1.0728 4.2287 4.2287 7.5427 7.5427 7.7066 7.7066 8.6789 8.6789 12.8888 12.8888 13.0554 13.0554 17.1629 17.1629 k = 0.5000 0.1648-0.0000 ( 1510 PWs) bands (ev): -5.4078 -5.4078 -5.3358 -5.3358 -4.6214 -4.6214 -4.4976 -4.4976 -4.3309 -4.3309 1.1215 1.1215 4.2748 4.2748 7.5934 7.5934 7.7549 7.7549 8.7278 8.7278 12.6402 12.6402 13.0987 13.0987 16.9354 16.9354 k = 0.5000 0.1739-0.0000 ( 1506 PWs) bands (ev): -5.4050 -5.4050 -5.3364 -5.3364 -4.6202 -4.6202 -4.5002 -4.5002 -4.3269 -4.3269 1.1730 1.1730 4.3232 4.3232 7.6465 7.6465 7.8061 7.8061 8.7788 8.7788 12.3924 12.3924 13.1446 13.1446 16.7116 16.7116 k = 0.5000 0.1831-0.0000 ( 1506 PWs) bands (ev): -5.4024 -5.4024 -5.3371 -5.3371 -4.6192 -4.6192 -4.5028 -4.5028 -4.3225 -4.3225 1.2273 1.2273 4.3737 4.3737 7.7019 7.7019 7.8602 7.8602 8.8318 8.8318 12.1461 12.1461 13.1930 13.1930 16.4917 16.4917 k = 0.5000 0.1922-0.0000 ( 1506 PWs) bands (ev): -5.4000 -5.4000 -5.3379 -5.3379 -4.6182 -4.6182 -4.5052 -4.5052 -4.3177 -4.3177 1.2843 1.2843 4.4263 4.4263 7.7597 7.7597 7.9172 7.9172 8.8865 8.8865 11.9016 11.9016 13.2439 13.2439 16.2758 16.2758 k = 0.5000 0.2014-0.0000 ( 1502 PWs) bands (ev): -5.3978 -5.3978 -5.3389 -5.3389 -4.6174 -4.6174 -4.5074 -4.5074 -4.3124 -4.3124 1.3441 1.3441 4.4810 4.4810 7.8196 7.8196 7.9769 7.9769 8.9428 8.9428 11.6591 11.6591 13.2972 13.2972 16.0641 16.0641 k = 0.5000 0.2106-0.0000 ( 1504 PWs) bands (ev): -5.3957 -5.3957 -5.3401 -5.3401 -4.6167 -4.6167 -4.5094 -4.5094 -4.3067 -4.3067 1.4067 1.4067 4.5375 4.5375 7.8817 7.8817 8.0393 8.0393 9.0006 9.0006 11.4192 11.4192 13.3530 13.3530 15.8568 15.8568 k = 0.5000 0.2197-0.0000 ( 1504 PWs) bands (ev): -5.3939 -5.3939 -5.3414 -5.3414 -4.6164 -4.6164 -4.5109 -4.5109 -4.3006 -4.3006 1.4719 1.4719 4.5959 4.5959 7.9459 7.9459 8.1043 8.1043 9.0595 9.0595 11.1821 11.1821 13.4113 13.4113 15.6541 15.6541 k = 0.5000 0.2289-0.0000 ( 1500 PWs) bands (ev): -5.3922 -5.3922 -5.3429 -5.3429 -4.6164 -4.6164 -4.5121 -4.5121 -4.2941 -4.2941 1.5398 1.5398 4.6559 4.6559 8.0121 8.0121 8.1717 8.1717 9.1194 9.1194 10.9484 10.9484 13.4720 13.4720 15.4562 15.4562 k = 0.5000 0.2380-0.0000 ( 1500 PWs) bands (ev): -5.3907 -5.3907 -5.3445 -5.3445 -4.6168 -4.6168 -4.5128 -4.5128 -4.2873 -4.2873 1.6104 1.6104 4.7176 4.7176 8.0802 8.0802 8.2412 8.2412 9.1799 9.1799 10.7185 10.7185 13.5352 13.5352 15.2633 15.2633 k = 0.5000 0.2472-0.0000 ( 1492 PWs) bands (ev): -5.3894 -5.3894 -5.3463 -5.3463 -4.6176 -4.6176 -4.5130 -4.5130 -4.2800 -4.2800 1.6835 1.6835 4.7806 4.7806 8.1500 8.1500 8.3123 8.3123 9.2406 9.2406 10.4933 10.4933 13.6008 13.6008 15.0758 15.0758 k = 0.5000 0.2563-0.0000 ( 1484 PWs) bands (ev): -5.3882 -5.3882 -5.3483 -5.3483 -4.6189 -4.6189 -4.5128 -4.5128 -4.2725 -4.2725 1.7593 1.7593 4.8450 4.8450 8.2214 8.2214 8.3845 8.3845 9.3010 9.3010 10.2739 10.2739 13.6688 13.6688 14.8940 14.8940 k = 0.5000 0.2655-0.0000 ( 1488 PWs) bands (ev): -5.3873 -5.3873 -5.3504 -5.3504 -4.6205 -4.6205 -4.5121 -4.5121 -4.2646 -4.2646 1.8375 1.8375 4.9104 4.9104 8.2940 8.2940 8.4569 8.4569 9.3599 9.3599 10.0625 10.0625 13.7392 13.7392 14.7180 14.7180 k = 0.5000 0.2746-0.0000 ( 1486 PWs) bands (ev): -5.3865 -5.3865 -5.3527 -5.3527 -4.6225 -4.6225 -4.5110 -4.5110 -4.2565 -4.2565 1.9181 1.9181 4.9769 4.9769 8.3672 8.3672 8.5276 8.5276 9.4147 9.4147 9.8636 9.8636 13.8120 13.8120 14.5484 14.5484 k = 0.5000 0.2838-0.0000 ( 1486 PWs) bands (ev): -5.3859 -5.3859 -5.3550 -5.3550 -4.6248 -4.6248 -4.5095 -4.5095 -4.2482 -4.2482 2.0011 2.0011 5.0440 5.0440 8.4398 8.4398 8.5936 8.5936 9.4542 9.4542 9.6925 9.6925 13.8870 13.8870 14.3854 14.3854 k = 0.5000 0.2929-0.0000 ( 1486 PWs) bands (ev): -5.3855 -5.3855 -5.3574 -5.3574 -4.6273 -4.6273 -4.5078 -4.5078 -4.2397 -4.2397 2.0863 2.0863 5.1117 5.1117 8.5083 8.5083 8.6497 8.6497 9.4221 9.4221 9.6137 9.6137 13.9641 13.9641 14.2298 14.2298 k = 0.5000 0.3021-0.0000 ( 1488 PWs) bands (ev): -5.3852 -5.3852 -5.3599 -5.3599 -4.6301 -4.6301 -4.5058 -4.5058 -4.2312 -4.2312 2.1737 2.1737 5.1796 5.1796 8.5598 8.5598 8.6918 8.6918 9.3235 9.3235 9.6388 9.6388 14.0398 14.0398 14.0854 14.0854 k = 0.5000 0.3112-0.0000 ( 1484 PWs) bands (ev): -5.3850 -5.3850 -5.3624 -5.3624 -4.6330 -4.6330 -4.5037 -4.5037 -4.2225 -4.2225 2.2630 2.2630 5.2476 5.2476 8.5552 8.5552 8.7358 8.7358 9.2625 9.2625 9.6863 9.6863 13.9388 13.9388 14.1277 14.1277 k = 0.5000 0.3204-0.0000 ( 1488 PWs) bands (ev): -5.3850 -5.3850 -5.3648 -5.3648 -4.6360 -4.6360 -4.5015 -4.5015 -4.2139 -4.2139 2.3540 2.3540 5.3152 5.3152 8.4710 8.4710 8.7990 8.7990 9.2643 9.2643 9.7367 9.7367 13.8071 13.8071 14.2112 14.2112 k = 0.5000 0.3296-0.0000 ( 1492 PWs) bands (ev): -5.3853 -5.3853 -5.3672 -5.3672 -4.6390 -4.6390 -4.4992 -4.4992 -4.2053 -4.2053 2.4467 2.4467 5.3823 5.3823 8.3366 8.3366 8.8720 8.8720 9.3123 9.3123 9.7864 9.7864 13.6837 13.6837 14.2972 14.2972 k = 0.5000 0.3387-0.0000 ( 1500 PWs) bands (ev): -5.3857 -5.3857 -5.3694 -5.3694 -4.6420 -4.6420 -4.4969 -4.4969 -4.1969 -4.1969 2.5406 2.5406 5.4483 5.4483 8.1796 8.1796 8.9481 8.9481 9.3863 9.3863 9.8338 9.8338 13.5694 13.5694 14.2936 14.2936 k = 0.5000 0.3479-0.0000 ( 1500 PWs) bands (ev): -5.3863 -5.3863 -5.3714 -5.3714 -4.6449 -4.6449 -4.4947 -4.4947 -4.1886 -4.1886 2.6356 2.6356 5.5130 5.5130 8.0142 8.0142 9.0246 9.0246 9.4749 9.4749 9.8786 9.8786 13.4644 13.4644 14.0787 14.0787 k = 0.5000 0.3570-0.0000 ( 1496 PWs) bands (ev): -5.3871 -5.3871 -5.3732 -5.3732 -4.6478 -4.6478 -4.4925 -4.4925 -4.1806 -4.1806 2.7311 2.7311 5.5758 5.5758 7.8473 7.8473 9.1004 9.1004 9.5722 9.5722 9.9207 9.9207 13.3689 13.3689 13.8675 13.8675 k = 0.5000 0.3662-0.0000 ( 1498 PWs) bands (ev): -5.3882 -5.3882 -5.3748 -5.3748 -4.6505 -4.6505 -4.4904 -4.4904 -4.1729 -4.1729 2.8269 2.8269 5.6362 5.6362 7.6825 7.6825 9.1745 9.1745 9.6745 9.6745 9.9609 9.9609 13.2823 13.2823 13.6608 13.6608 k = 0.5000 0.3753-0.0000 ( 1502 PWs) bands (ev): -5.3894 -5.3894 -5.3761 -5.3761 -4.6531 -4.6531 -4.4884 -4.4884 -4.1656 -4.1656 2.9222 2.9222 5.6938 5.6938 7.5223 7.5223 9.2460 9.2460 9.7776 9.7776 10.0017 10.0017 13.2027 13.2027 13.4609 13.4609 k = 0.5000 0.3845-0.0000 ( 1506 PWs) bands (ev): -5.3908 -5.3908 -5.3771 -5.3771 -4.6555 -4.6555 -4.4866 -4.4866 -4.1587 -4.1587 3.0164 3.0164 5.7478 5.7478 7.3684 7.3684 9.3141 9.3141 9.8735 9.8735 10.0505 10.0505 13.1210 13.1210 13.2769 13.2769 k = 0.5000 0.3936-0.0000 ( 1510 PWs) bands (ev): -5.3923 -5.3923 -5.3779 -5.3779 -4.6578 -4.6578 -4.4848 -4.4848 -4.1523 -4.1523 3.1086 3.1086 5.7975 5.7975 7.2225 7.2225 9.3781 9.3781 9.9469 9.9469 10.1221 10.1221 12.9990 12.9990 13.1466 13.1466 k = 0.5000 0.4028-0.0000 ( 1514 PWs) bands (ev): -5.3937 -5.3937 -5.3785 -5.3785 -4.6599 -4.6599 -4.4833 -4.4833 -4.1465 -4.1465 3.1979 3.1979 5.8423 5.8423 7.0862 7.0862 9.4373 9.4373 9.9914 9.9914 10.2230 10.2230 12.8266 12.8266 13.0800 13.0800 k = 0.5000 0.4119-0.0000 ( 1514 PWs) bands (ev): -5.3952 -5.3952 -5.3791 -5.3791 -4.6617 -4.6617 -4.4819 -4.4819 -4.1412 -4.1412 3.2830 3.2830 5.8814 5.8814 6.9613 6.9613 9.4908 9.4908 10.0180 10.0180 10.3424 10.3424 12.6426 12.6426 13.0375 13.0375 k = 0.5000 0.4211-0.0000 ( 1514 PWs) bands (ev): -5.3965 -5.3965 -5.3795 -5.3795 -4.6633 -4.6633 -4.4807 -4.4807 -4.1365 -4.1365 3.3625 3.3625 5.9138 5.9138 6.8498 6.8498 9.5381 9.5381 10.0357 10.0357 10.4716 10.4716 12.4589 12.4589 13.0067 13.0067 k = 0.5000 0.4303-0.0000 ( 1510 PWs) bands (ev): -5.3976 -5.3976 -5.3798 -5.3798 -4.6647 -4.6647 -4.4796 -4.4796 -4.1325 -4.1325 3.4347 3.4347 5.9391 5.9391 6.7535 6.7535 9.5785 9.5785 10.0482 10.0482 10.6068 10.6068 12.2784 12.2784 12.9841 12.9841 k = 0.5000 0.4394-0.0000 ( 1512 PWs) bands (ev): -5.3986 -5.3986 -5.3801 -5.3801 -4.6658 -4.6658 -4.4788 -4.4788 -4.1292 -4.1292 3.4978 3.4978 5.9569 5.9569 6.6742 6.6742 9.6116 9.6116 10.0575 10.0575 10.7460 10.7460 12.1025 12.1025 12.9679 12.9679 k = 0.5000 0.4486-0.0000 ( 1516 PWs) bands (ev): -5.3994 -5.3994 -5.3803 -5.3803 -4.6667 -4.6667 -4.4781 -4.4781 -4.1265 -4.1265 3.5496 3.5496 5.9678 5.9678 6.6131 6.6131 9.6373 9.6373 10.0642 10.0642 10.8872 10.8872 11.9330 11.9330 12.9567 12.9567 k = 0.5000 0.4577-0.0000 ( 1512 PWs) bands (ev): -5.3999 -5.3999 -5.3804 -5.3804 -4.6674 -4.6674 -4.4776 -4.4776 -4.1247 -4.1247 3.5884 3.5884 5.9731 5.9731 6.5704 6.5704 9.6555 9.6555 10.0690 10.0690 11.0262 11.0262 11.7737 11.7737 12.9495 12.9495 k = 0.5000 0.4669-0.0000 ( 1512 PWs) bands (ev): -5.4003 -5.4003 -5.3805 -5.3805 -4.6678 -4.6678 -4.4773 -4.4773 -4.1235 -4.1235 3.6124 3.6124 5.9750 5.9750 6.5454 6.5454 9.6663 9.6663 10.0718 10.0718 11.1504 11.1504 11.6374 11.6374 12.9455 12.9455 k = 0.5000 0.4760-0.0000 ( 1508 PWs) bands (ev): -5.4004 -5.4004 -5.3805 -5.3805 -4.6679 -4.6679 -4.4772 -4.4772 -4.1231 -4.1231 3.6206 3.6206 5.9754 5.9754 6.5372 6.5372 9.6699 9.6699 10.0728 10.0728 11.2117 11.2117 11.5721 11.5721 12.9442 12.9442 k = 0.5000 0.4760-0.0000 ( 1508 PWs) bands (ev): -5.4004 -5.4004 -5.3805 -5.3805 -4.6679 -4.6679 -4.4772 -4.4772 -4.1231 -4.1231 3.6206 3.6206 5.9754 5.9754 6.5372 6.5372 9.6699 9.6699 10.0728 10.0728 11.2117 11.2117 11.5721 11.5721 12.9442 12.9442 k = 0.4907 0.4760-0.0000 ( 1504 PWs) bands (ev): -5.4003 -5.4002 -5.3805 -5.3804 -4.6679 -4.6675 -4.4774 -4.4772 -4.1237 -4.1237 3.6093 3.6094 5.9829 5.9895 6.5308 6.5406 9.6567 9.6755 10.0585 10.0765 11.1998 11.2132 11.5683 11.5809 12.9573 12.9605 k = 0.4815 0.4760-0.0000 ( 1508 PWs) bands (ev): -5.4000 -5.3997 -5.3804 -5.3801 -4.6675 -4.6668 -4.4777 -4.4774 -4.1255 -4.1253 3.5765 3.5765 6.0100 6.0238 6.5222 6.5425 9.6363 9.6733 10.0339 10.0693 11.1780 11.2042 11.5706 11.5949 12.9991 13.0055 k = 0.4722 0.4760-0.0000 ( 1506 PWs) bands (ev): -5.3994 -5.3989 -5.3801 -5.3797 -4.6668 -4.6658 -4.4781 -4.4777 -4.1283 -4.1280 3.5241 3.5241 6.0499 6.0721 6.5159 6.5476 9.6088 9.6628 9.9989 10.0507 11.1472 11.1847 11.5814 11.6158 13.0674 13.0768 k = 0.4630 0.4760-0.0000 ( 1506 PWs) bands (ev): -5.3986 -5.3979 -5.3797 -5.3792 -4.6658 -4.6644 -4.4787 -4.4781 -4.1322 -4.1318 3.4552 3.4552 6.0915 6.1220 6.5218 6.5648 9.5746 9.6441 9.9538 10.0206 11.1086 11.1550 11.6039 11.6459 13.1590 13.1712 k = 0.4537 0.4760-0.0000 ( 1510 PWs) bands (ev): -5.3975 -5.3967 -5.3791 -5.3786 -4.6644 -4.6626 -4.4795 -4.4787 -4.1371 -4.1366 3.3729 3.3730 6.1197 6.1547 6.5562 6.6065 9.5338 9.6172 9.8989 9.9791 11.0628 11.1156 11.6406 11.6877 13.2705 13.2855 k = 0.4444 0.4760-0.0000 ( 1506 PWs) bands (ev): -5.3963 -5.3953 -5.3783 -5.3778 -4.6627 -4.6606 -4.4803 -4.4794 -4.1431 -4.1425 3.2803 3.2805 6.1237 6.1559 6.6312 6.6813 9.4867 9.5822 9.8352 9.9269 11.0105 11.0673 11.6932 11.7427 13.3989 13.4167 k = 0.4352 0.4760-0.0000 ( 1504 PWs) bands (ev): -5.3950 -5.3937 -5.3773 -5.3768 -4.6606 -4.6582 -4.4813 -4.4802 -4.1500 -4.1493 3.1800 3.1803 6.1028 6.1282 6.7422 6.7881 9.4337 9.5394 9.7638 9.8652 10.9522 11.0109 11.7621 11.8122 13.5412 13.5621 k = 0.4259 0.4760-0.0000 ( 1504 PWs) bands (ev): -5.3936 -5.3920 -5.3761 -5.3757 -4.6582 -4.6555 -4.4824 -4.4812 -4.1579 -4.1571 3.0741 3.0746 6.0626 6.0811 6.8785 6.9197 9.3752 9.4891 9.6866 9.7957 10.8884 10.9476 11.8469 11.8962 13.6943 13.7196 k = 0.4167 0.4760-0.0000 ( 1500 PWs) bands (ev): -5.3922 -5.3902 -5.3746 -5.3743 -4.6555 -4.6525 -4.4837 -4.4823 -4.1666 -4.1657 2.9645 2.9651 6.0091 6.0217 7.0319 7.0694 9.3116 9.4315 9.6053 9.7199 10.8196 10.8784 11.9468 11.9944 13.8512 13.8870 k = 0.4074 0.4760-0.0000 ( 1504 PWs) bands (ev): -5.3908 -5.3884 -5.3729 -5.3727 -4.6525 -4.6493 -4.4851 -4.4835 -4.1762 -4.1751 2.8525 2.8533 5.9461 5.9541 7.1977 7.2326 9.2436 9.3665 9.5222 9.6393 10.7463 10.8043 12.0604 12.1060 13.9396 13.9752 k = 0.3981 0.4760-0.0000 ( 1502 PWs) bands (ev): -5.3895 -5.3867 -5.3709 -5.3709 -4.6492 -4.6458 -4.4865 -4.4848 -4.1865 -4.1852 2.7392 2.7401 5.8763 5.8806 7.3729 7.4060 9.1720 9.2943 9.4392 9.5553 10.6694 10.7263 12.1867 12.2299 13.8685 13.8775 k = 0.3889 0.4760-0.0000 ( 1498 PWs) bands (ev): -5.3883 -5.3852 -5.3688 -5.3686 -4.6456 -4.6420 -4.4881 -4.4863 -4.1975 -4.1960 2.6255 2.6265 5.8015 5.8029 7.5554 7.5873 9.0976 9.2151 9.3580 9.4691 10.5893 10.6452 12.3243 12.3652 13.7736 13.7775 k = 0.3796 0.4760-0.0000 ( 1506 PWs) bands (ev): -5.3873 -5.3837 -5.3665 -5.3661 -4.6418 -4.6381 -4.4897 -4.4878 -4.2090 -4.2074 2.5120 2.5131 5.7222 5.7230 7.7433 7.7744 9.0217 9.1299 9.2795 9.3814 10.5070 10.5619 12.4722 12.5109 13.6754 13.6773 k = 0.3704 0.4760-0.0000 ( 1506 PWs) bands (ev): -5.3863 -5.3825 -5.3640 -5.3635 -4.6378 -4.6340 -4.4913 -4.4894 -4.2210 -4.2192 2.3992 2.4005 5.6392 5.6419 7.9348 7.9647 8.9463 9.0404 9.2043 9.2930 10.4230 10.4773 12.6293 12.6660 13.5766 13.5775 k = 0.3611 0.4760-0.0000 ( 1506 PWs) bands (ev): -5.3854 -5.3814 -5.3613 -5.3607 -4.6337 -4.6298 -4.4930 -4.4910 -4.2335 -4.2314 2.2877 2.2891 5.5547 5.5589 8.1271 8.1542 8.8751 8.9480 9.1336 9.2044 10.3383 10.3922 12.7946 12.8297 13.4781 13.4787 k = 0.3519 0.4760-0.0000 ( 1504 PWs) bands (ev): -5.3847 -5.3804 -5.3585 -5.3579 -4.6294 -4.6256 -4.4946 -4.4926 -4.2462 -4.2439 2.1778 2.1793 5.4694 5.4748 8.3152 8.3315 8.8188 8.8544 9.0708 9.1162 10.2536 10.3078 12.9667 13.0012 13.3805 13.3818 k = 0.3426 0.4760-0.0000 ( 1496 PWs) bands (ev): -5.3841 -5.3796 -5.3557 -5.3550 -4.6250 -4.6214 -4.4962 -4.4942 -4.2590 -4.2565 2.0696 2.0712 5.3836 5.3900 8.4595 8.4864 8.7608 8.8132 9.0268 9.0293 10.1704 10.2255 13.1404 13.1797 13.2842 13.2918 k = 0.3333 0.4760-0.0000 ( 1500 PWs) bands (ev): -5.3835 -5.3790 -5.3529 -5.3522 -4.6207 -4.6172 -4.4976 -4.4957 -4.2720 -4.2692 1.9635 1.9652 5.2979 5.3050 8.4816 8.6056 8.6708 8.8981 8.9592 9.0316 10.0905 10.1475 13.1763 13.1884 13.3476 13.3658 k = 0.3241 0.4760-0.0000 ( 1500 PWs) bands (ev): -5.3831 -5.3785 -5.3502 -5.3496 -4.6164 -4.6133 -4.4988 -4.4971 -4.2849 -4.2818 1.8597 1.8614 5.2126 5.2203 8.4343 8.5698 8.6478 8.8475 9.0921 9.1210 10.0179 10.0784 13.0884 13.0951 13.5349 13.5573 k = 0.3148 0.4760-0.0000 ( 1504 PWs) bands (ev): -5.3829 -5.3782 -5.3477 -5.3471 -4.6123 -4.6096 -4.4997 -4.4983 -4.2977 -4.2943 1.7582 1.7600 5.1279 5.1361 8.3657 8.4802 8.6150 8.7634 9.2620 9.2696 9.9618 10.0274 12.9979 13.0035 13.7324 13.7547 k = 0.3056 0.4760-0.0000 ( 1504 PWs) bands (ev): -5.3827 -5.3780 -5.3454 -5.3449 -4.6085 -4.6064 -4.5002 -4.4992 -4.3101 -4.3065 1.6592 1.6611 5.0442 5.0528 8.2904 8.3909 8.5577 8.6791 9.3940 9.4193 9.9469 10.0161 12.9086 12.9138 13.9359 13.9574 k = 0.2963 0.4760-0.0000 ( 1500 PWs) bands (ev): -5.3827 -5.3780 -5.3433 -5.3429 -4.6051 -4.6037 -4.5002 -4.4997 -4.3223 -4.3183 1.5628 1.5648 4.9617 4.9705 8.2132 8.3033 8.4912 8.5956 9.4677 9.4914 10.0177 10.0777 12.8211 12.8262 14.1445 14.1651 k = 0.2870 0.4760-0.0000 ( 1500 PWs) bands (ev): -5.3829 -5.3783 -5.3415 -5.3412 -4.6022 -4.6016 -4.4997 -4.4996 -4.3339 -4.3296 1.4690 1.4711 4.8806 4.8896 8.1359 8.2178 8.4210 8.5135 9.4703 9.4809 10.1775 10.2195 12.7358 12.7408 14.3579 14.3776 k = 0.2778 0.4760-0.0000 ( 1504 PWs) bands (ev): -5.3832 -5.3787 -5.3401 -5.3398 -4.6001 -4.5999 -4.4991 -4.4983 -4.3449 -4.3404 1.3781 1.3802 4.8011 4.8101 8.0594 8.1345 8.3493 8.4327 9.4295 9.4297 10.3835 10.4117 12.6528 12.6577 14.5757 14.5946 k = 0.2685 0.4760-0.0000 ( 1504 PWs) bands (ev): -5.3838 -5.3794 -5.3390 -5.3389 -4.5994 -4.5982 -4.4980 -4.4965 -4.3552 -4.3505 1.2899 1.2921 4.7232 4.7324 7.9843 8.0536 8.2775 8.3535 9.3633 9.3693 10.6099 10.6291 12.5722 12.5770 14.7978 14.8158 k = 0.2593 0.4760-0.0000 ( 1508 PWs) bands (ev): -5.3846 -5.3804 -5.3383 -5.3382 -4.5994 -4.5973 -4.4963 -4.4940 -4.3648 -4.3598 1.2046 1.2068 4.6473 4.6564 7.9109 7.9751 8.2061 8.2760 9.2911 9.3007 10.8468 10.8603 12.4942 12.4989 15.0238 15.0410 k = 0.2500 0.4760-0.0000 ( 1512 PWs) bands (ev): -5.3856 -5.3816 -5.3381 -5.3378 -4.5999 -4.5970 -4.4940 -4.4911 -4.3735 -4.3682 1.1221 1.1244 4.5734 4.5824 7.8394 7.8992 8.1356 8.2003 9.2169 9.2287 11.0903 11.0996 12.4190 12.4236 15.2536 15.2701 k = 0.2407 0.4760-0.0000 ( 1508 PWs) bands (ev): -5.3870 -5.3832 -5.3382 -5.3377 -4.6010 -4.5973 -4.4913 -4.4878 -4.3812 -4.3757 1.0426 1.0449 4.5015 4.5104 7.7701 7.8259 8.0664 8.1265 9.1425 9.1556 11.3380 11.3443 12.3470 12.3514 15.4870 15.5030 k = 0.2315 0.4760-0.0000 ( 1504 PWs) bands (ev): -5.3888 -5.3853 -5.3387 -5.3379 -4.6024 -4.5980 -4.4884 -4.4844 -4.3878 -4.3822 0.9661 0.9684 4.4318 4.4406 7.7030 7.7552 7.9986 8.0546 9.0688 9.0827 11.5879 11.5918 12.2793 12.2835 15.7239 15.7393 k = 0.2222 0.4760-0.0000 ( 1496 PWs) bands (ev): -5.3909 -5.3877 -5.3394 -5.3384 -4.6041 -4.5992 -4.4854 -4.4811 -4.3933 -4.3875 0.8925 0.8948 4.3645 4.3731 7.6383 7.6872 7.9326 7.9849 8.9966 9.0108 11.8351 11.8368 12.2204 12.2242 15.9641 15.9791 k = 0.2130 0.4760-0.0000 ( 1496 PWs) bands (ev): -5.3935 -5.3906 -5.3404 -5.3391 -4.6058 -4.6005 -4.4827 -4.4781 -4.3974 -4.3915 0.8219 0.8242 4.2994 4.3078 7.5761 7.6220 7.8683 7.9174 8.9260 8.9404 12.0360 12.0383 12.2128 12.2141 16.2076 16.2221 k = 0.2037 0.4760-0.0000 ( 1496 PWs) bands (ev): -5.3965 -5.3940 -5.3416 -5.3400 -4.6076 -4.6020 -4.4804 -4.4757 -4.4001 -4.3941 0.7543 0.7566 4.2368 4.2450 7.5164 7.5594 7.8061 7.8521 8.8575 8.8719 12.0458 12.0502 12.4000 12.4001 16.4542 16.4684 k = 0.1944 0.4760-0.0000 ( 1500 PWs) bands (ev): -5.4001 -5.3979 -5.3428 -5.3410 -4.6093 -4.6035 -4.4788 -4.4740 -4.4013 -4.3953 0.6896 0.6920 4.1767 4.1846 7.4592 7.4996 7.7459 7.7891 8.7912 8.8054 11.9962 12.0006 12.6512 12.6523 16.7038 16.7177 k = 0.1852 0.4760-0.0000 ( 1500 PWs) bands (ev): -5.4042 -5.4023 -5.3441 -5.3421 -4.6108 -4.6049 -4.4779 -4.4731 -4.4011 -4.3950 0.6280 0.6304 4.1191 4.1267 7.4046 7.4426 7.6880 7.7286 8.7272 8.7412 11.9419 11.9461 12.9114 12.9135 16.9562 16.9699 k = 0.1759 0.4760-0.0000 ( 1500 PWs) bands (ev): -5.4088 -5.4072 -5.3454 -5.3431 -4.6121 -4.6062 -4.4778 -4.4730 -4.3995 -4.3935 0.5695 0.5718 4.0641 4.0714 7.3527 7.3883 7.6324 7.6706 8.6659 8.6794 11.8884 11.8924 13.1750 13.1779 17.2114 17.2250 k = 0.1667 0.4760-0.0000 ( 1500 PWs) bands (ev): -5.4139 -5.4125 -5.3466 -5.3442 -4.6131 -4.6072 -4.4783 -4.4736 -4.3968 -4.3908 0.5139 0.5162 4.0117 4.0187 7.3034 7.3368 7.5792 7.6151 8.6071 8.6202 11.8368 11.8407 13.4403 13.4439 17.4693 17.4828 k = 0.1574 0.4760-0.0000 ( 1500 PWs) bands (ev): -5.4194 -5.4183 -5.3478 -5.3452 -4.6138 -4.6081 -4.4793 -4.4747 -4.3931 -4.3873 0.4614 0.4636 3.9619 3.9687 7.2568 7.2881 7.5285 7.5622 8.5511 8.5637 11.7875 11.7912 13.7064 13.7107 17.7298 17.7433 k = 0.1481 0.4760-0.0000 ( 1496 PWs) bands (ev): -5.4252 -5.4243 -5.3488 -5.3462 -4.6143 -4.6087 -4.4806 -4.4761 -4.3889 -4.3832 0.4119 0.4140 3.9149 3.9213 7.2129 7.2422 7.4805 7.5119 8.4979 8.5100 11.7408 11.7444 13.9726 13.9776 17.9927 18.0063 k = 0.1389 0.4760-0.0000 ( 1496 PWs) bands (ev): -5.4313 -5.4305 -5.3498 -5.3472 -4.6145 -4.6091 -4.4822 -4.4778 -4.3842 -4.3787 0.3654 0.3674 3.8706 3.8766 7.1717 7.1990 7.4350 7.4644 8.4477 8.4591 11.6968 11.7001 14.2384 14.2439 18.2580 18.2718 k = 0.1296 0.4760-0.0000 ( 1500 PWs) bands (ev): -5.4375 -5.4369 -5.3506 -5.3481 -4.6145 -4.6092 -4.4838 -4.4796 -4.3792 -4.3740 0.3219 0.3239 3.8290 3.8347 7.1332 7.1586 7.3923 7.4196 8.4004 8.4113 11.6554 11.6585 14.5029 14.5089 18.5254 18.5396 k = 0.1204 0.4760-0.0000 ( 1496 PWs) bands (ev): -5.4439 -5.4434 -5.3514 -5.3489 -4.6143 -4.6092 -4.4855 -4.4814 -4.3742 -4.3692 0.2815 0.2834 3.7902 3.7955 7.0974 7.1209 7.3523 7.3777 8.3562 8.3664 11.6168 11.6197 14.7654 14.7718 18.7947 18.8096 k = 0.1111 0.4760-0.0000 ( 1496 PWs) bands (ev): -5.4502 -5.4497 -5.3521 -5.3496 -4.6138 -4.6090 -4.4871 -4.4832 -4.3692 -4.3645 0.2440 0.2458 3.7543 3.7592 7.0643 7.0860 7.3152 7.3386 8.3151 8.3246 11.5810 11.5837 15.0248 15.0316 19.0659 19.0816 k = 0.1019 0.4760-0.0000 ( 1496 PWs) bands (ev): -5.4563 -5.4560 -5.3526 -5.3503 -4.6132 -4.6087 -4.4886 -4.4850 -4.3643 -4.3599 0.2096 0.2113 3.7211 3.7257 7.0339 7.0538 7.2809 7.3024 8.2771 8.2859 11.5479 11.5505 15.2801 15.2872 19.3386 19.3556 k = 0.0926 0.4760-0.0000 ( 1498 PWs) bands (ev): -5.4623 -5.4620 -5.3532 -5.3510 -4.6125 -4.6084 -4.4899 -4.4866 -4.3596 -4.3555 0.1782 0.1798 3.6908 3.6950 7.0063 7.0244 7.2496 7.2691 8.2423 8.2504 11.5178 11.5201 15.5298 15.5371 19.6122 19.6311 k = 0.0833 0.4760-0.0000 ( 1502 PWs) bands (ev): -5.4680 -5.4677 -5.3536 -5.3516 -4.6117 -4.6079 -4.4912 -4.4881 -4.3551 -4.3514 0.1498 0.1513 3.6634 3.6671 6.9814 6.9977 7.2212 7.2388 8.2108 8.2181 11.4904 11.4925 15.7721 15.7796 19.8862 19.9081 k = 0.0741 0.4760-0.0000 ( 1506 PWs) bands (ev): -5.4732 -5.4730 -5.3540 -5.3522 -4.6109 -4.6074 -4.4923 -4.4895 -4.3510 -4.3477 0.1245 0.1257 3.6388 3.6421 6.9592 6.9737 7.1958 7.2115 8.1825 8.1891 11.4659 11.4678 16.0050 16.0125 20.1592 20.1862 k = 0.0648 0.4760-0.0000 ( 1510 PWs) bands (ev): -5.4781 -5.4779 -5.3543 -5.3527 -4.6101 -4.6070 -4.4932 -4.4907 -4.3472 -4.3443 0.1021 0.1032 3.6171 3.6201 6.9398 6.9525 7.1735 7.1872 8.1575 8.1633 11.4443 11.4460 16.2258 16.2332 20.4274 20.4648 k = 0.0556 0.4760-0.0000 ( 1506 PWs) bands (ev): -5.4824 -5.4823 -5.3545 -5.3531 -4.6092 -4.6065 -4.4940 -4.4918 -4.3439 -4.3413 0.0827 0.0837 3.5983 3.6009 6.9231 6.9339 7.1542 7.1660 8.1359 8.1409 11.4256 11.4270 16.4313 16.4384 20.6770 20.7426 k = 0.0463 0.4760-0.0000 ( 1506 PWs) bands (ev): -5.4861 -5.4860 -5.3547 -5.3535 -4.6084 -4.6062 -4.4947 -4.4928 -4.3409 -4.3388 0.0663 0.0672 3.5824 3.5846 6.9091 6.9181 7.1380 7.1479 8.1176 8.1218 11.4098 11.4110 16.6177 16.6243 20.8459 20.9288 k = 0.0370 0.4760-0.0000 ( 1508 PWs) bands (ev): -5.4893 -5.4892 -5.3548 -5.3538 -4.6077 -4.6059 -4.4951 -4.4936 -4.3385 -4.3367 0.0529 0.0536 3.5695 3.5712 6.8978 6.9050 7.1249 7.1328 8.1027 8.1061 11.3968 11.3978 16.7806 16.7864 20.8932 20.9228 k = 0.0278 0.4760-0.0000 ( 1508 PWs) bands (ev): -5.4917 -5.4917 -5.3549 -5.3541 -4.6071 -4.6057 -4.4955 -4.4943 -4.3365 -4.3352 0.0426 0.0431 3.5594 3.5607 6.8892 6.8946 7.1149 7.1208 8.0912 8.0937 11.3868 11.3875 16.9151 16.9198 20.9026 20.9160 k = 0.0185 0.4760-0.0000 ( 1516 PWs) bands (ev): -5.4935 -5.4935 -5.3549 -5.3544 -4.6065 -4.6056 -4.4957 -4.4949 -4.3350 -4.3341 0.0352 0.0355 3.5523 3.5532 6.8833 6.8870 7.1080 7.1120 8.0831 8.0848 11.3796 11.3801 17.0162 17.0195 20.9047 20.9113 k = 0.0093 0.4760-0.0000 ( 1512 PWs) bands (ev): -5.4946 -5.4946 -5.3548 -5.3546 -4.6061 -4.6056 -4.4957 -4.4953 -4.3340 -4.3335 0.0308 0.0309 3.5481 3.5486 6.8802 6.8820 7.1043 7.1063 8.0784 8.0793 11.3754 11.3756 17.0793 17.0810 20.9056 20.9083 k = 0.0000 0.4760-0.0000 ( 1512 PWs) bands (ev): -5.4950 -5.4950 -5.3547 -5.3547 -4.6058 -4.6058 -4.4956 -4.4956 -4.3335 -4.3335 0.0294 0.0294 3.5469 3.5469 6.8797 6.8797 7.1037 7.1037 8.0771 8.0771 11.3740 11.3740 17.1013 17.1013 20.9066 20.9066 k = 0.0000 0.4760-0.0000 ( 1512 PWs) bands (ev): -5.4950 -5.4950 -5.3547 -5.3547 -4.6058 -4.6058 -4.4956 -4.4956 -4.3335 -4.3335 0.0294 0.0294 3.5469 3.5469 6.8797 6.8797 7.1037 7.1037 8.0771 8.0771 11.3740 11.3740 17.1013 17.1013 20.9066 20.9066 k = 0.0000 0.4669-0.0000 ( 1518 PWs) bands (ev): -5.4950 -5.4950 -5.3547 -5.3547 -4.6058 -4.6058 -4.4957 -4.4957 -4.3336 -4.3336 0.0232 0.0232 3.5553 3.5553 6.8578 6.8578 7.1013 7.1013 8.1009 8.1009 11.3815 11.3815 17.0979 17.0979 20.9004 20.9004 k = 0.0000 0.4577-0.0000 ( 1514 PWs) bands (ev): -5.4951 -5.4951 -5.3547 -5.3547 -4.6056 -4.6056 -4.4962 -4.4962 -4.3337 -4.3337 0.0050 0.0050 3.5801 3.5801 6.7984 6.7984 7.0917 7.0917 8.1683 8.1683 11.4037 11.4037 17.0875 17.0875 20.8817 20.8817 k = 0.0000 0.4486-0.0000 ( 1510 PWs) bands (ev): -5.4952 -5.4952 -5.3547 -5.3547 -4.6052 -4.6052 -4.4970 -4.4970 -4.3339 -4.3339 -0.0247 -0.0247 3.6208 3.6208 6.7138 6.7138 7.0725 7.0725 8.2700 8.2700 11.4405 11.4405 17.0705 17.0705 20.8513 20.8513 k = 0.0000 0.4394-0.0000 ( 1514 PWs) bands (ev): -5.4954 -5.4954 -5.3546 -5.3546 -4.6048 -4.6048 -4.4981 -4.4981 -4.3341 -4.3341 -0.0651 -0.0651 3.6762 3.6762 6.6143 6.6143 7.0431 7.0431 8.3970 8.3970 11.4912 11.4912 17.0469 17.0469 20.8099 20.8099 k = 0.0000 0.4303-0.0000 ( 1510 PWs) bands (ev): -5.4957 -5.4957 -5.3545 -5.3545 -4.6042 -4.6042 -4.4995 -4.4995 -4.3344 -4.3344 -0.1151 -0.1151 3.7448 3.7448 6.5074 6.5074 7.0043 7.0043 8.5420 8.5420 11.5551 11.5551 17.0171 17.0171 20.7585 20.7585 k = 0.0000 0.4211-0.0000 ( 1510 PWs) bands (ev): -5.4960 -5.4960 -5.3545 -5.3545 -4.6035 -4.6035 -4.5012 -4.5012 -4.3348 -4.3348 -0.1735 -0.1735 3.8248 3.8248 6.3979 6.3979 6.9573 6.9573 8.7004 8.7004 11.6316 11.6316 16.9816 16.9816 20.6983 20.6983 k = 0.0000 0.4119-0.0000 ( 1514 PWs) bands (ev): -5.4964 -5.4964 -5.3544 -5.3544 -4.6028 -4.6028 -4.5033 -4.5033 -4.3351 -4.3351 -0.2391 -0.2391 3.9142 3.9142 6.2896 6.2896 6.9031 6.9031 8.8690 8.8690 11.7197 11.7197 16.9406 16.9406 20.6307 20.6307 k = 0.0000 0.4028-0.0000 ( 1514 PWs) bands (ev): -5.4968 -5.4968 -5.3544 -5.3544 -4.6019 -4.6019 -4.5056 -4.5056 -4.3355 -4.3355 -0.3106 -0.3106 4.0106 4.0106 6.1854 6.1854 6.8427 6.8427 9.0458 9.0458 11.8187 11.8187 16.8947 16.8947 20.5566 20.5566 k = 0.0000 0.3936-0.0000 ( 1510 PWs) bands (ev): -5.4974 -5.4974 -5.3545 -5.3545 -4.6009 -4.6009 -4.5081 -4.5081 -4.3358 -4.3358 -0.3870 -0.3870 4.1111 4.1111 6.0882 6.0882 6.7773 6.7773 9.2294 9.2294 11.9276 11.9276 16.8444 16.8444 20.4774 20.4774 k = 0.0000 0.3845-0.0000 ( 1514 PWs) bands (ev): -5.4979 -5.4979 -5.3546 -5.3546 -4.5999 -4.5999 -4.5110 -4.5110 -4.3361 -4.3361 -0.4672 -0.4672 4.2122 4.2122 6.0013 6.0013 6.7078 6.7078 9.4188 9.4188 12.0456 12.0456 16.7901 16.7901 20.3941 20.3941 k = 0.0000 0.3753-0.0000 ( 1514 PWs) bands (ev): -5.4986 -5.4986 -5.3548 -5.3548 -4.5988 -4.5988 -4.5140 -4.5140 -4.3362 -4.3362 -0.5504 -0.5504 4.3093 4.3093 5.9286 5.9286 6.6352 6.6352 9.6134 9.6134 12.1719 12.1719 16.7323 16.7323 20.3076 20.3076 k = 0.0000 0.3662-0.0000 ( 1518 PWs) bands (ev): -5.4993 -5.4993 -5.3551 -5.3551 -4.5977 -4.5977 -4.5173 -4.5173 -4.3363 -4.3363 -0.6357 -0.6357 4.3969 4.3969 5.8751 5.8751 6.5603 6.5603 9.8127 9.8127 12.3059 12.3059 16.6716 16.6716 20.2188 20.2188 k = 0.0000 0.3570-0.0000 ( 1518 PWs) bands (ev): -5.5001 -5.5001 -5.3555 -5.3555 -4.5966 -4.5966 -4.5207 -4.5207 -4.3363 -4.3363 -0.7224 -0.7224 4.4682 4.4682 5.8466 5.8466 6.4845 6.4845 10.0163 10.0163 12.4468 12.4468 16.6083 16.6083 20.1285 20.1285 k = 0.0000 0.3479-0.0000 ( 1522 PWs) bands (ev): -5.5010 -5.5010 -5.3561 -5.3561 -4.5954 -4.5954 -4.5242 -4.5242 -4.3361 -4.3361 -0.8100 -0.8100 4.5168 4.5168 5.8479 5.8479 6.4094 6.4094 10.2239 10.2239 12.5941 12.5941 16.5431 16.5431 20.0373 20.0373 k = 0.0000 0.3387-0.0000 ( 1518 PWs) bands (ev): -5.5020 -5.5020 -5.3568 -5.3568 -4.5943 -4.5943 -4.5278 -4.5278 -4.3357 -4.3357 -0.8980 -0.8980 4.5388 4.5388 5.8800 5.8800 6.3382 6.3382 10.4351 10.4351 12.7471 12.7471 16.4762 16.4762 19.9460 19.9460 k = 0.0000 0.3296-0.0000 ( 1518 PWs) bands (ev): -5.5030 -5.5030 -5.3577 -5.3577 -4.5932 -4.5932 -4.5314 -4.5314 -4.3352 -4.3352 -0.9858 -0.9858 4.5343 4.5343 5.9342 5.9342 6.2795 6.2795 10.6499 10.6499 12.9053 12.9053 16.4081 16.4081 19.8550 19.8550 k = 0.0000 0.3204-0.0000 ( 1518 PWs) bands (ev): -5.5042 -5.5042 -5.3588 -5.3588 -4.5922 -4.5922 -4.5350 -4.5350 -4.3345 -4.3345 -1.0731 -1.0731 4.5073 4.5073 5.9799 5.9799 6.2601 6.2601 10.8679 10.8679 13.0683 13.0683 16.3392 16.3392 19.7648 19.7648 k = 0.0000 0.3112-0.0000 ( 1516 PWs) bands (ev): -5.5054 -5.5054 -5.3602 -5.3602 -4.5914 -4.5914 -4.5386 -4.5386 -4.3336 -4.3336 -1.1596 -1.1596 4.4633 4.4633 5.9713 5.9713 6.3204 6.3204 11.0891 11.0891 13.2355 13.2355 16.2699 16.2699 19.6761 19.6761 k = 0.0000 0.3021-0.0000 ( 1516 PWs) bands (ev): -5.5067 -5.5067 -5.3617 -5.3617 -4.5907 -4.5907 -4.5419 -4.5419 -4.3326 -4.3326 -1.2451 -1.2451 4.4075 4.4075 5.9183 5.9183 6.4451 6.4451 11.3132 11.3132 13.4064 13.4064 16.2006 16.2006 19.5891 19.5891 k = 0.0000 0.2929-0.0000 ( 1516 PWs) bands (ev): -5.5081 -5.5081 -5.3636 -5.3636 -4.5901 -4.5901 -4.5451 -4.5451 -4.3313 -4.3313 -1.3292 -1.3292 4.3440 4.3440 5.8492 5.8492 6.6021 6.6021 11.5401 11.5401 13.5807 13.5807 16.1315 16.1315 19.5043 19.5043 k = 0.0000 0.2838-0.0000 ( 1514 PWs) bands (ev): -5.5096 -5.5096 -5.3657 -5.3657 -4.5898 -4.5898 -4.5479 -4.5479 -4.3298 -4.3298 -1.4117 -1.4117 4.2760 4.2760 5.7746 5.7746 6.7776 6.7776 11.7696 11.7696 13.7578 13.7578 16.0631 16.0631 19.4222 19.4222 k = 0.0000 0.2746-0.0000 ( 1510 PWs) bands (ev): -5.5112 -5.5112 -5.3680 -5.3680 -4.5898 -4.5898 -4.5504 -4.5504 -4.3282 -4.3282 -1.4925 -1.4925 4.2054 4.2054 5.6984 5.6984 6.9658 6.9658 12.0015 12.0015 13.9372 13.9372 15.9957 15.9957 19.3431 19.3431 k = 0.0000 0.2655-0.0000 ( 1506 PWs) bands (ev): -5.5129 -5.5129 -5.3706 -5.3706 -4.5900 -4.5900 -4.5525 -4.5525 -4.3263 -4.3263 -1.5714 -1.5714 4.1338 4.1338 5.6219 5.6219 7.1636 7.1636 12.2356 12.2356 14.1183 14.1183 15.9297 15.9297 19.2675 19.2675 k = 0.0000 0.2563-0.0000 ( 1512 PWs) bands (ev): -5.5147 -5.5147 -5.3735 -5.3735 -4.5905 -4.5905 -4.5542 -4.5542 -4.3243 -4.3243 -1.6484 -1.6484 4.0622 4.0622 5.5461 5.5461 7.3692 7.3692 12.4717 12.4717 14.3003 14.3003 15.8657 15.8657 19.1960 19.1960 k = 0.0000 0.2472-0.0000 ( 1512 PWs) bands (ev): -5.5165 -5.5165 -5.3766 -5.3766 -4.5912 -4.5912 -4.5555 -4.5555 -4.3221 -4.3221 -1.7231 -1.7231 3.9914 3.9914 5.4713 5.4713 7.5814 7.5814 12.7096 12.7096 14.4823 14.4823 15.8043 15.8043 19.1289 19.1289 k = 0.0000 0.2380-0.0000 ( 1514 PWs) bands (ev): -5.5185 -5.5185 -5.3800 -5.3800 -4.5921 -4.5921 -4.5564 -4.5564 -4.3198 -4.3198 -1.7957 -1.7957 3.9219 3.9219 5.3981 5.3981 7.7993 7.7993 12.9490 12.9490 14.6628 14.6628 15.7467 15.7467 19.0669 19.0669 k = 0.0000 0.2289-0.0000 ( 1514 PWs) bands (ev): -5.5206 -5.5206 -5.3836 -5.3836 -4.5931 -4.5931 -4.5570 -4.5570 -4.3173 -4.3173 -1.8659 -1.8659 3.8541 3.8541 5.3265 5.3265 8.0221 8.0221 13.1896 13.1896 14.8395 14.8395 15.6948 15.6948 19.0107 19.0107 k = 0.0000 0.2197-0.0000 ( 1516 PWs) bands (ev): -5.5228 -5.5228 -5.3874 -5.3874 -4.5942 -4.5942 -4.5574 -4.5574 -4.3147 -4.3147 -1.9337 -1.9337 3.7882 3.7882 5.2568 5.2568 8.2494 8.2494 13.4308 13.4308 15.0074 15.0074 15.6531 15.6531 18.9610 18.9610 k = 0.0000 0.2106-0.0000 ( 1512 PWs) bands (ev): -5.5251 -5.5251 -5.3914 -5.3914 -4.5953 -4.5953 -4.5575 -4.5575 -4.3119 -4.3119 -1.9991 -1.9991 3.7245 3.7245 5.1891 5.1891 8.4806 8.4806 13.6723 13.6723 15.1555 15.1555 15.6320 15.6320 18.9188 18.9188 k = 0.0000 0.2014-0.0000 ( 1512 PWs) bands (ev): -5.5275 -5.5275 -5.3955 -5.3955 -4.5964 -4.5964 -4.5575 -4.5575 -4.3091 -4.3091 -2.0619 -2.0619 3.6632 3.6632 5.1237 5.1237 8.7155 8.7155 13.9131 13.9131 15.2598 15.2598 15.6550 15.6550 18.8850 18.8850 k = 0.0000 0.1922-0.0000 ( 1508 PWs) bands (ev): -5.5300 -5.5300 -5.3997 -5.3997 -4.5973 -4.5973 -4.5574 -4.5574 -4.3062 -4.3062 -2.1221 -2.1221 3.6043 3.6043 5.0605 5.0605 8.9536 8.9536 14.1522 14.1522 15.2998 15.2998 15.7421 15.7421 18.8610 18.8610 k = 0.0000 0.1831-0.0000 ( 1502 PWs) bands (ev): -5.5326 -5.5326 -5.4040 -5.4040 -4.5981 -4.5981 -4.5572 -4.5572 -4.3032 -4.3032 -2.1797 -2.1797 3.5480 3.5480 4.9997 4.9997 9.1946 9.1946 14.3874 14.3874 15.2962 15.2962 15.8726 15.8726 18.8483 18.8483 k = 0.0000 0.1739-0.0000 ( 1492 PWs) bands (ev): -5.5353 -5.5353 -5.4083 -5.4083 -4.5987 -4.5987 -4.5570 -4.5570 -4.3002 -4.3002 -2.2347 -2.2347 3.4942 3.4942 4.9414 4.9414 9.4383 9.4383 14.6145 14.6145 15.2799 15.2799 16.0178 16.0178 18.8485 18.8485 k = 0.0000 0.1648-0.0000 ( 1496 PWs) bands (ev): -5.5381 -5.5381 -5.4126 -5.4126 -4.5992 -4.5992 -4.5567 -4.5567 -4.2972 -4.2972 -2.2869 -2.2869 3.4432 3.4432 4.8856 4.8856 9.6842 9.6842 14.8212 14.8212 15.2743 15.2743 16.1637 16.1637 18.8636 18.8636 k = 0.0000 0.1556-0.0000 ( 1492 PWs) bands (ev): -5.5410 -5.5410 -5.4168 -5.4168 -4.5995 -4.5995 -4.5564 -4.5564 -4.2942 -4.2942 -2.3364 -2.3364 3.3948 3.3948 4.8325 4.8325 9.9320 9.9320 14.9713 14.9713 15.3195 15.3195 16.3034 16.3034 18.8955 18.8955 k = 0.0000 0.1465-0.0000 ( 1492 PWs) bands (ev): -5.5439 -5.5439 -5.4210 -5.4210 -4.5997 -4.5997 -4.5562 -4.5562 -4.2913 -4.2913 -2.3832 -2.3832 3.3492 3.3492 4.7821 4.7821 10.1814 10.1814 15.0248 15.0248 15.4558 15.4558 16.4332 16.4332 18.9459 18.9459 k = 0.0000 0.1373-0.0000 ( 1498 PWs) bands (ev): -5.5468 -5.5468 -5.4250 -5.4250 -4.5998 -4.5998 -4.5559 -4.5559 -4.2883 -4.2883 -2.4272 -2.4272 3.3064 3.3064 4.7345 4.7345 10.4320 10.4320 15.0211 15.0211 15.6428 15.6428 16.5509 16.5509 19.0164 19.0164 k = 0.0000 0.1282-0.0000 ( 1498 PWs) bands (ev): -5.5497 -5.5497 -5.4289 -5.4289 -4.5997 -4.5997 -4.5556 -4.5556 -4.2855 -4.2855 -2.4684 -2.4684 3.2663 3.2663 4.6897 4.6897 10.6832 10.6832 14.9997 14.9997 15.8386 15.8386 16.6553 16.6553 19.0950 19.0950 k = 0.0000 0.1190-0.0000 ( 1498 PWs) bands (ev): -5.5527 -5.5527 -5.4325 -5.4325 -4.5996 -4.5996 -4.5554 -4.5554 -4.2827 -4.2827 -2.5069 -2.5069 3.2289 3.2289 4.6477 4.6477 10.9344 10.9344 14.9734 14.9734 16.0269 16.0269 16.7463 16.7463 19.0357 19.0357 k = 0.0000 0.1099-0.0000 ( 1500 PWs) bands (ev): -5.5556 -5.5556 -5.4360 -5.4360 -4.5993 -4.5993 -4.5551 -4.5551 -4.2801 -4.2801 -2.5425 -2.5425 3.1944 3.1944 4.6087 4.6087 11.1851 11.1851 14.9463 14.9463 16.1987 16.1987 16.8247 16.8247 18.9688 18.9688 k = 0.0000 0.1007-0.0000 ( 1504 PWs) bands (ev): -5.5584 -5.5584 -5.4392 -5.4392 -4.5990 -4.5990 -4.5549 -4.5549 -4.2776 -4.2776 -2.5753 -2.5753 3.1626 3.1626 4.5727 4.5727 11.4343 11.4343 14.9202 14.9202 16.3466 16.3466 16.8916 16.8916 18.8991 18.8991 k = 0.0000 0.0915-0.0000 ( 1504 PWs) bands (ev): -5.5612 -5.5612 -5.4422 -5.4422 -4.5987 -4.5987 -4.5547 -4.5547 -4.2753 -4.2753 -2.6052 -2.6052 3.1336 3.1336 4.5397 4.5397 11.6809 11.6809 14.8961 14.8961 16.4635 16.4635 16.9471 16.9471 18.8310 18.8310 k = 0.0000 0.0824-0.0000 ( 1501 PWs) bands (ev): -5.5638 -5.5638 -5.4449 -5.4449 -4.5983 -4.5983 -4.5545 -4.5545 -4.2731 -4.2731 -2.6323 -2.6323 3.1074 3.1074 4.5097 4.5097 11.9236 11.9236 14.8747 14.8747 16.5447 16.5447 16.9895 16.9895 18.7711 18.7711 k = 0.0000 0.0732-0.0000 ( 1501 PWs) bands (ev): -5.5662 -5.5662 -5.4473 -5.4473 -4.5979 -4.5979 -4.5543 -4.5543 -4.2711 -4.2711 -2.6566 -2.6566 3.0840 3.0840 4.4828 4.4828 12.1606 12.1606 14.8563 14.8563 16.5880 16.5880 17.0159 17.0159 18.7266 18.7266 k = 0.0000 0.0641-0.0000 ( 1505 PWs) bands (ev): -5.5685 -5.5685 -5.4495 -5.4495 -4.5975 -4.5975 -4.5542 -4.5542 -4.2693 -4.2693 -2.6780 -2.6780 3.0633 3.0633 4.4590 4.4590 12.3894 12.3894 14.8415 14.8415 16.5929 16.5929 17.0259 17.0259 18.7016 18.7016 k = 0.0000 0.0549-0.0000 ( 1505 PWs) bands (ev): -5.5705 -5.5705 -5.4514 -5.4514 -4.5971 -4.5971 -4.5540 -4.5540 -4.2677 -4.2677 -2.6966 -2.6966 3.0454 3.0454 4.4383 4.4383 12.6068 12.6068 14.8305 14.8305 16.5604 16.5604 17.0247 17.0247 18.6951 18.6951 k = 0.0000 0.0458-0.0000 ( 1505 PWs) bands (ev): -5.5723 -5.5723 -5.4530 -5.4530 -4.5968 -4.5968 -4.5539 -4.5539 -4.2663 -4.2663 -2.7123 -2.7123 3.0302 3.0302 4.4208 4.4208 12.8088 12.8088 14.8237 14.8237 16.4957 16.4957 17.0191 17.0191 18.7015 18.7015 k = 0.0000 0.0366-0.0000 ( 1505 PWs) bands (ev): -5.5738 -5.5738 -5.4543 -5.4543 -4.5965 -4.5965 -4.5538 -4.5538 -4.2652 -4.2652 -2.7251 -2.7251 3.0178 3.0178 4.4064 4.4064 12.9897 12.9897 14.8213 14.8213 16.4095 16.4095 17.0138 17.0138 18.7141 18.7141 k = 0.0000 0.0275-0.0000 ( 1501 PWs) bands (ev): -5.5749 -5.5749 -5.4553 -5.4553 -4.5963 -4.5963 -4.5537 -4.5537 -4.2643 -4.2643 -2.7351 -2.7351 3.0082 3.0082 4.3952 4.3952 13.1429 13.1429 14.8229 14.8229 16.3169 16.3169 17.0100 17.0100 18.7275 18.7275 k = 0.0000 0.0183-0.0000 ( 1499 PWs) bands (ev): -5.5758 -5.5758 -5.4560 -5.4560 -4.5961 -4.5961 -4.5536 -4.5536 -4.2636 -4.2636 -2.7423 -2.7423 3.0013 3.0013 4.3872 4.3872 13.2606 13.2606 14.8271 14.8271 16.2343 16.2343 17.0077 17.0077 18.7386 18.7386 k = 0.0000 0.0092-0.0000 ( 1495 PWs) bands (ev): -5.5763 -5.5763 -5.4564 -5.4564 -4.5960 -4.5960 -4.5536 -4.5536 -4.2632 -4.2632 -2.7466 -2.7466 2.9972 2.9972 4.3824 4.3824 13.3350 13.3350 14.8316 14.8316 16.1770 16.1770 17.0064 17.0064 18.7456 18.7456 k = 0.0000 0.0000 0.0000 ( 1493 PWs) bands (ev): -5.5765 -5.5765 -5.4566 -5.4566 -4.5960 -4.5960 -4.5536 -4.5536 -4.2631 -4.2631 -2.7480 -2.7480 2.9958 2.9958 4.3808 4.3808 13.3606 13.3606 14.8335 14.8335 16.1564 16.1564 17.0061 17.0061 18.7480 18.7480 k = 0.0000 0.0000 0.0000 ( 1493 PWs) bands (ev): -5.5765 -5.5765 -5.4566 -5.4566 -4.5960 -4.5960 -4.5536 -4.5536 -4.2631 -4.2631 -2.7480 -2.7480 2.9958 2.9958 4.3808 4.3808 13.3606 13.3606 14.8335 14.8335 16.1564 16.1564 17.0061 17.0061 18.7480 18.7480 k = 0.0000 0.0000 0.0093 ( 1493 PWs) bands (ev): -5.5765 -5.5764 -5.4569 -5.4560 -4.5969 -4.5950 -4.5537 -4.5535 -4.2632 -4.2631 -2.7477 -2.7471 2.9743 2.9766 4.4037 4.4067 13.3576 13.3632 14.8327 14.8356 16.1490 16.1640 16.9782 16.9842 18.7468 18.7562 k = 0.0000 0.0000 0.0186 ( 1497 PWs) bands (ev): -5.5765 -5.5764 -5.4571 -5.4552 -4.5976 -4.5939 -4.5537 -4.5533 -4.2632 -4.2631 -2.7462 -2.7449 2.9160 2.9203 4.4718 4.4774 13.3543 13.3656 14.8333 14.8391 16.1403 16.1727 16.9017 16.9171 18.7520 18.7695 k = 0.0000 0.0000 0.0278 ( 1503 PWs) bands (ev): -5.5765 -5.5763 -5.4570 -5.4542 -4.5981 -4.5926 -4.5538 -4.5532 -4.2633 -4.2630 -2.7435 -2.7415 2.8302 2.8358 4.5763 4.5839 13.3505 13.3676 14.8350 14.8440 16.1269 16.1828 16.7818 16.8145 18.7612 18.7846 k = 0.0000 0.0000 0.0371 ( 1509 PWs) bands (ev): -5.5765 -5.5763 -5.4568 -5.4530 -4.5985 -4.5913 -4.5538 -4.5530 -4.2633 -4.2630 -2.7396 -2.7370 2.7261 2.7325 4.7077 4.7168 13.3462 13.3694 14.8376 14.8502 16.1019 16.1938 16.6266 16.6909 18.7710 18.7980 k = 0.0000 0.0000 0.0464 ( 1509 PWs) bands (ev): -5.5764 -5.5762 -5.4563 -5.4517 -4.5987 -4.5899 -4.5538 -4.5528 -4.2634 -4.2630 -2.7345 -2.7313 2.6109 2.6178 4.8588 4.8689 13.3412 13.3711 14.8407 14.8576 16.0514 16.2027 16.4472 16.5683 18.7787 18.8073 k = 0.0000 0.0000 0.0557 ( 1509 PWs) bands (ev): -5.5764 -5.5761 -5.4556 -5.4502 -4.5988 -4.5885 -4.5537 -4.5526 -4.2635 -4.2630 -2.7283 -2.7245 2.4897 2.4967 5.0243 5.0353 13.3354 13.3725 14.8433 14.8658 15.9550 16.1716 16.2885 16.4739 18.7821 18.8107 k = 0.0000 0.0000 0.0649 ( 1503 PWs) bands (ev): -5.5763 -5.5760 -5.4547 -5.4485 -4.5987 -4.5870 -4.5536 -4.5524 -4.2636 -4.2631 -2.7209 -2.7166 2.3658 2.3728 5.2009 5.2126 13.3286 13.3738 14.8441 14.8744 15.8053 15.9879 16.2692 16.4218 18.7797 18.8074 k = 0.0000 0.0000 0.0742 ( 1503 PWs) bands (ev): -5.5763 -5.5759 -5.4536 -5.4468 -4.5984 -4.5855 -4.5534 -4.5522 -4.2636 -4.2631 -2.7125 -2.7077 2.2414 2.2484 5.3864 5.3987 13.3206 13.3749 14.8397 14.8822 15.6186 15.7598 16.2867 16.4029 18.7707 18.7967 k = 0.0000 0.0000 0.0835 ( 1501 PWs) bands (ev): -5.5762 -5.5758 -5.4523 -5.4450 -4.5979 -4.5840 -4.5532 -4.5519 -4.2637 -4.2631 -2.7031 -2.6979 2.1182 2.1251 5.5792 5.5920 13.3108 13.3759 14.8220 14.8866 15.4193 15.5240 16.3107 16.4038 18.7543 18.7781 k = 0.0000 0.0000 0.0928 ( 1501 PWs) bands (ev): -5.5761 -5.5756 -5.4509 -5.4431 -4.5973 -4.5825 -4.5529 -4.5517 -4.2638 -4.2631 -2.6928 -2.6872 1.9973 2.0039 5.7783 5.7915 13.2986 13.3768 14.7702 14.8786 15.2389 15.2952 16.3386 16.4166 18.7298 18.7511 k = 0.0000 0.0000 0.1021 ( 1500 PWs) bands (ev): -5.5760 -5.5755 -5.4494 -5.4411 -4.5966 -4.5812 -4.5526 -4.5514 -4.2639 -4.2632 -2.6816 -2.6757 1.8795 1.8858 5.9828 5.9965 13.2829 13.3776 14.6478 14.8222 15.1130 15.1194 16.3697 16.4371 18.6969 18.7156 k = 0.0000 0.0000 0.1113 ( 1500 PWs) bands (ev): -5.5759 -5.5754 -5.4477 -5.4392 -4.5957 -4.5799 -4.5522 -4.5511 -4.2640 -4.2632 -2.6696 -2.6636 1.7654 1.7714 6.1922 6.2064 13.2621 13.3782 14.4507 14.6595 15.0388 15.0684 16.4037 16.4635 18.6555 18.6714 k = 0.0000 0.0000 0.1206 ( 1500 PWs) bands (ev): -5.5758 -5.5753 -5.4459 -5.4372 -4.5947 -4.5787 -4.5517 -4.5507 -4.2640 -4.2633 -2.6570 -2.6509 1.6557 1.6614 6.4061 6.4206 13.2330 13.3788 14.2129 14.4391 15.0280 15.0540 16.4405 16.4944 18.6057 18.6189 k = 0.0000 0.0000 0.1299 ( 1502 PWs) bands (ev): -5.5757 -5.5752 -5.4441 -5.4353 -4.5936 -4.5777 -4.5512 -4.5504 -4.2641 -4.2634 -2.6439 -2.6377 1.5507 1.5560 6.6240 6.6390 13.1904 13.3790 13.9571 14.2129 15.0350 15.0553 16.4801 16.5293 18.5481 18.5586 k = 0.0000 0.0000 0.1392 ( 1498 PWs) bands (ev): -5.5756 -5.5751 -5.4422 -5.4335 -4.5924 -4.5768 -4.5506 -4.5500 -4.2642 -4.2634 -2.6305 -2.6243 1.4509 1.4559 6.8457 6.8611 13.1252 13.3784 13.6933 14.0025 15.0481 15.0637 16.5224 16.5678 18.4837 18.4915 k = 0.0000 0.0000 0.1485 ( 1498 PWs) bands (ev): -5.5755 -5.5750 -5.4403 -5.4317 -4.5911 -4.5761 -4.5500 -4.5497 -4.2643 -4.2635 -2.6168 -2.6107 1.3567 1.3613 7.0709 7.0867 13.0245 13.3646 13.4380 13.8247 15.0637 15.0758 16.5672 16.6094 18.4136 18.4189 k = 0.0000 0.0000 0.1577 ( 1498 PWs) bands (ev): -5.5754 -5.5750 -5.4383 -5.4300 -4.5898 -4.5755 -4.5494 -4.5493 -4.2643 -4.2636 -2.6031 -2.5972 1.2684 1.2726 7.2992 7.3155 12.8779 13.1438 13.3875 13.6916 15.0804 15.0898 16.6146 16.6540 18.3390 18.3419 k = 0.0000 0.0000 0.1670 ( 1488 PWs) bands (ev): -5.5753 -5.5749 -5.4364 -5.4285 -4.5885 -4.5750 -4.5489 -4.5487 -4.2644 -4.2637 -2.5896 -2.5839 1.1864 1.1902 7.5304 7.5473 12.6878 12.8728 13.3863 13.6022 15.0974 15.1047 16.6643 16.7012 18.2614 18.2619 k = 0.0000 0.0000 0.1763 ( 1490 PWs) bands (ev): -5.5752 -5.5748 -5.4346 -5.4271 -4.5872 -4.5747 -4.5485 -4.5481 -4.2644 -4.2637 -2.5764 -2.5711 1.1109 1.1144 7.7642 7.7816 12.4669 12.6003 13.3868 13.5444 15.1142 15.1199 16.7163 16.7509 18.1801 18.1817 k = 0.0000 0.0000 0.1856 ( 1496 PWs) bands (ev): -5.5751 -5.5748 -5.4328 -5.4259 -4.5859 -4.5745 -4.5481 -4.5475 -4.2644 -4.2638 -2.5638 -2.5588 1.0424 1.0455 8.0002 8.0181 12.2280 12.3285 13.3878 13.5064 15.1304 15.1348 16.7702 16.8026 18.0975 18.1012 k = 0.0000 0.0000 0.1948 ( 1496 PWs) bands (ev): -5.5750 -5.5747 -5.4311 -5.4248 -4.5846 -4.5745 -4.5476 -4.5470 -4.2645 -4.2639 -2.5519 -2.5475 0.9811 0.9838 8.2378 8.2563 11.9796 12.0584 13.3891 13.4802 15.1456 15.1489 16.8257 16.8561 18.0154 18.0210 k = 0.0000 0.0000 0.2041 ( 1488 PWs) bands (ev): -5.5750 -5.5747 -5.4294 -5.4239 -4.5833 -4.5745 -4.5472 -4.5465 -4.2645 -4.2640 -2.5411 -2.5371 0.9273 0.9296 8.4762 8.4953 11.7275 11.7912 13.3907 13.4612 15.1594 15.1619 16.8824 16.9106 17.9349 17.9420 k = 0.0000 0.0000 0.2134 ( 1494 PWs) bands (ev): -5.5749 -5.5747 -5.4280 -5.4233 -4.5821 -4.5747 -4.5469 -4.5462 -4.2645 -4.2641 -2.5314 -2.5280 0.8813 0.8832 8.7142 8.7339 11.4755 11.5282 13.3926 13.4469 15.1717 15.1735 16.9395 16.9653 17.8572 17.8657 k = 0.0000 0.0000 0.2227 ( 1486 PWs) bands (ev): -5.5748 -5.5746 -5.4266 -5.4228 -4.5809 -4.5750 -4.5465 -4.5459 -4.2645 -4.2641 -2.5231 -2.5204 0.8433 0.8448 8.9496 8.9696 11.2277 11.2719 13.3949 13.4358 15.1821 15.1834 16.9958 17.0188 17.7842 17.7935 k = 0.0000 0.0000 0.2320 ( 1486 PWs) bands (ev): -5.5748 -5.5746 -5.4255 -5.4226 -4.5799 -4.5754 -4.5462 -4.5457 -4.2645 -4.2642 -2.5164 -2.5143 0.8136 0.8147 9.1781 9.1979 10.9898 11.0266 13.3975 13.4269 15.1905 15.1913 17.0492 17.0686 17.7186 17.7279 k = 0.0000 0.0000 0.2412 ( 1486 PWs) bands (ev): -5.5747 -5.5746 -5.4245 -5.4225 -4.5789 -4.5759 -4.5459 -4.5455 -4.2645 -4.2643 -2.5114 -2.5100 0.7923 0.7930 9.3897 9.4080 10.7732 10.8022 13.4006 13.4196 15.1966 15.1971 17.0961 17.1109 17.6645 17.6725 k = 0.0000 0.0000 0.2505 ( 1482 PWs) bands (ev): -5.5747 -5.5746 -5.4237 -5.4227 -4.5780 -4.5765 -4.5457 -4.5455 -4.2644 -4.2643 -2.5082 -2.5075 0.7795 0.7799 9.5604 9.5730 10.6051 10.6229 13.4042 13.4136 15.2003 15.2006 17.1310 17.1392 17.6283 17.6331 k = 0.0000 0.0000 0.2598 ( 1474 PWs) bands (ev): -5.5747 -5.5747 -5.4231 -5.4231 -4.5772 -4.5772 -4.5456 -4.5456 -4.2644 -4.2644 -2.5069 -2.5069 0.7754 0.7754 9.6368 9.6368 10.5419 10.5419 13.4085 13.4085 15.2017 15.2017 17.1468 17.1468 17.6169 17.6169 k = 0.0000 0.0000 0.2598 ( 1474 PWs) bands (ev): -5.5747 -5.5747 -5.4231 -5.4231 -4.5772 -4.5772 -4.5456 -4.5456 -4.2644 -4.2644 -2.5069 -2.5069 0.7754 0.7754 9.6368 9.6368 10.5419 10.5419 13.4085 13.4085 15.2017 15.2017 17.1468 17.1468 17.6169 17.6169 k = 0.0093-0.0000 0.2598 ( 1474 PWs) bands (ev): -5.5743 -5.5743 -5.4232 -5.4229 -4.5772 -4.5772 -4.5458 -4.5456 -4.2650 -4.2643 -2.5055 -2.5053 0.7769 0.7770 9.6379 9.6384 10.5430 10.5441 13.4093 13.4095 15.1744 15.1760 17.1472 17.1496 17.6254 17.6255 k = 0.0185-0.0000 0.2598 ( 1482 PWs) bands (ev): -5.5732 -5.5731 -5.4231 -5.4226 -4.5772 -4.5771 -4.5462 -4.5457 -4.2661 -4.2646 -2.5009 -2.5005 0.7815 0.7817 9.6415 9.6425 10.5473 10.5496 13.4119 13.4121 15.0968 15.1000 17.1505 17.1554 17.6489 17.6492 k = 0.0278-0.0000 0.2598 ( 1482 PWs) bands (ev): -5.5713 -5.5712 -5.4229 -5.4221 -4.5772 -4.5771 -4.5467 -4.5461 -4.2676 -4.2655 -2.4932 -2.4927 0.7892 0.7895 9.6477 9.6492 10.5548 10.5582 13.4158 13.4162 14.9757 14.9805 17.1565 17.1643 17.6832 17.6836 k = 0.0370-0.0000 0.2598 ( 1490 PWs) bands (ev): -5.5687 -5.5687 -5.4226 -5.4215 -4.5773 -4.5770 -4.5474 -4.5466 -4.2696 -4.2668 -2.4825 -2.4818 0.7999 0.8004 9.6565 9.6585 10.5655 10.5701 13.4207 13.4209 14.8198 14.8263 17.1646 17.1762 17.7232 17.7237 k = 0.0463-0.0000 0.2598 ( 1490 PWs) bands (ev): -5.5654 -5.5654 -5.4222 -5.4208 -4.5773 -4.5770 -4.5483 -4.5472 -4.2721 -4.2686 -2.4686 -2.4677 0.8139 0.8144 9.6679 9.6704 10.5794 10.5852 13.4253 13.4253 14.6384 14.6468 17.1736 17.1907 17.7649 17.7656 k = 0.0556-0.0000 0.2598 ( 1488 PWs) bands (ev): -5.5615 -5.5614 -5.4216 -5.4200 -4.5774 -4.5769 -4.5493 -4.5479 -4.2750 -4.2708 -2.4517 -2.4507 0.8309 0.8315 9.6817 9.6847 10.5963 10.6035 13.4268 13.4275 14.4406 14.4512 17.1809 17.2069 17.8062 17.8071 k = 0.0648-0.0000 0.2598 ( 1488 PWs) bands (ev): -5.5570 -5.5569 -5.4208 -5.4189 -4.5775 -4.5768 -4.5505 -4.5486 -4.2783 -4.2735 -2.4317 -2.4305 0.8510 0.8518 9.6981 9.7016 10.6162 10.6248 13.4206 13.4224 14.2369 14.2503 17.1799 17.2220 17.7862 17.8391 k = 0.0741-0.0000 0.2598 ( 1484 PWs) bands (ev): -5.5519 -5.5518 -5.4199 -5.4178 -4.5776 -4.5767 -4.5517 -4.5494 -4.2820 -4.2766 -2.4086 -2.4073 0.8743 0.8752 9.7168 9.7209 10.6390 10.6491 13.3956 13.3991 14.0424 14.0593 17.1512 17.2232 17.5505 17.6350 k = 0.0833-0.0000 0.2598 ( 1488 PWs) bands (ev): -5.5463 -5.5462 -5.4188 -5.4164 -4.5779 -4.5765 -4.5529 -4.5502 -4.2861 -4.2801 -2.3825 -2.3811 0.9007 0.9017 9.7380 9.7427 10.6645 10.6763 13.3296 13.3342 13.8840 13.9038 17.0504 17.1404 17.3966 17.5002 k = 0.0926-0.0000 0.2598 ( 1496 PWs) bands (ev): -5.5402 -5.5402 -5.4176 -5.4149 -4.5782 -4.5764 -4.5542 -4.5509 -4.2905 -4.2840 -2.3533 -2.3518 0.9302 0.9313 9.7614 9.7667 10.6925 10.7062 13.1989 13.2016 13.7902 13.8102 16.8592 16.9215 17.3787 17.4555 k = 0.1019-0.0000 0.2598 ( 1500 PWs) bands (ev): -5.5339 -5.5338 -5.4161 -5.4131 -4.5785 -4.5763 -4.5554 -4.5516 -4.2952 -4.2882 -2.3211 -2.3195 0.9629 0.9642 9.7871 9.7929 10.7226 10.7384 13.0085 13.0098 13.7561 13.7746 16.6203 16.6620 17.4026 17.4600 k = 0.1111-0.0000 0.2598 ( 1500 PWs) bands (ev): -5.5273 -5.5272 -5.4143 -5.4111 -4.5789 -4.5763 -4.5565 -4.5521 -4.3002 -4.2928 -2.2859 -2.2843 0.9988 1.0001 9.8148 9.8213 10.7543 10.7727 12.7822 12.7878 13.7561 13.7732 16.3629 16.3932 17.4382 17.4853 k = 0.1204-0.0000 0.2598 ( 1502 PWs) bands (ev): -5.5205 -5.5205 -5.4123 -5.4088 -4.5794 -4.5762 -4.5575 -4.5526 -4.3054 -4.2976 -2.2477 -2.2461 1.0378 1.0393 9.8444 9.8516 10.7867 10.8083 12.5411 12.5511 13.7738 13.7900 16.0981 16.1213 17.4801 17.5213 k = 0.1296-0.0000 0.2598 ( 1502 PWs) bands (ev): -5.5137 -5.5137 -5.4100 -5.4063 -4.5799 -4.5762 -4.5583 -4.5528 -4.3108 -4.3027 -2.2065 -2.2049 1.0801 1.0817 9.8756 9.8837 10.8182 10.8439 12.2949 12.3097 13.8016 13.8175 15.8302 15.8486 17.5266 17.5643 k = 0.1389-0.0000 0.2598 ( 1506 PWs) bands (ev): -5.5070 -5.5070 -5.4073 -5.4034 -4.5803 -4.5763 -4.5589 -4.5530 -4.3165 -4.3080 -2.1624 -2.1607 1.1255 1.1272 9.9083 9.9172 10.8461 10.8772 12.0501 12.0709 13.8362 13.8520 15.5614 15.5763 17.5771 17.6126 k = 0.1481-0.0000 0.2598 ( 1506 PWs) bands (ev): -5.5005 -5.5004 -5.4043 -5.4002 -4.5807 -4.5763 -4.5592 -4.5529 -4.3222 -4.3135 -2.1154 -2.1137 1.1742 1.1760 9.9417 9.9516 10.8645 10.9030 11.8144 11.8431 13.8760 13.8919 15.2930 15.3052 17.6312 17.6655 k = 0.1574-0.0000 0.2598 ( 1506 PWs) bands (ev): -5.4942 -5.4941 -5.4009 -5.3967 -4.5811 -4.5765 -4.5593 -4.5528 -4.3281 -4.3191 -2.0654 -2.0638 1.2260 1.2280 9.9751 9.9863 10.8609 10.9087 11.6023 11.6406 13.9199 13.9361 15.0259 15.0359 17.6887 17.7224 k = 0.1667-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4883 -5.4881 -5.3971 -5.3928 -4.5813 -4.5766 -4.5590 -4.5524 -4.3340 -4.3249 -2.0125 -2.0109 1.2811 1.2833 10.0069 10.0198 10.8132 10.8671 11.4430 11.4883 13.9674 13.9841 14.7608 14.7689 17.7494 17.7830 k = 0.1759-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4828 -5.4825 -5.3929 -5.3885 -4.5814 -4.5768 -4.5583 -4.5519 -4.3400 -4.3307 -1.9568 -1.9553 1.3395 1.3417 10.0335 10.0488 10.7024 10.7503 11.3679 11.4086 14.0182 14.0354 14.4984 14.5049 17.8133 17.8471 k = 0.1852-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4778 -5.4774 -5.3884 -5.3840 -4.5813 -4.5770 -4.5573 -4.5512 -4.3459 -4.3366 -1.8983 -1.8968 1.4011 1.4035 10.0455 10.0650 10.5466 10.5806 11.3633 11.3931 14.0718 14.0897 14.2394 14.2446 17.8802 17.9146 k = 0.1944-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4733 -5.4728 -5.3836 -5.3792 -4.5811 -4.5772 -4.5558 -4.5503 -4.3517 -4.3424 -1.8369 -1.8355 1.4660 1.4685 10.0142 10.0406 10.4002 10.4191 11.3955 11.4158 13.9844 13.9873 14.1293 14.1469 17.9498 17.9852 k = 0.2037-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4693 -5.4686 -5.3787 -5.3743 -4.5808 -4.5775 -4.5540 -4.5491 -4.3574 -4.3481 -1.7727 -1.7714 1.5341 1.5368 9.8931 9.9229 10.3271 10.3372 11.4456 11.4590 13.7344 13.7360 14.1882 14.2067 18.0222 18.0588 k = 0.2130-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4657 -5.4650 -5.3736 -5.3692 -4.5804 -4.5779 -4.5516 -4.5477 -4.3629 -4.3538 -1.7058 -1.7046 1.6055 1.6083 9.6979 9.7247 10.3195 10.3291 11.5057 11.5142 13.4903 13.4905 14.2497 14.2690 18.0970 18.1354 k = 0.2222-0.0000 0.2598 ( 1516 PWs) bands (ev): -5.4626 -5.4617 -5.3685 -5.3643 -4.5800 -4.5784 -4.5488 -4.5459 -4.3682 -4.3592 -1.6362 -1.6351 1.6802 1.6831 9.4729 9.4961 10.3360 10.3472 11.5725 11.5771 13.2521 13.2536 14.3137 14.3336 18.1742 18.2146 k = 0.2315-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4599 -5.4588 -5.3634 -5.3594 -4.5797 -4.5789 -4.5454 -4.5437 -4.3732 -4.3645 -1.5639 -1.5629 1.7582 1.7612 9.2372 9.2574 10.3583 10.3712 11.6442 11.6456 13.0227 13.0260 14.3797 14.4004 18.2533 18.2965 k = 0.2407-0.0000 0.2598 ( 1504 PWs) bands (ev): -5.4575 -5.4563 -5.3586 -5.3547 -4.5796 -4.5795 -4.5416 -4.5411 -4.3778 -4.3695 -1.4890 -1.4881 1.8394 1.8425 8.9976 9.0156 10.3787 10.3934 11.7182 11.7196 12.8046 12.8100 14.4478 14.4693 18.3342 18.3807 k = 0.2500-0.0000 0.2598 ( 1504 PWs) bands (ev): -5.4555 -5.4541 -5.3540 -5.3502 -4.5805 -4.5795 -4.5380 -4.5373 -4.3821 -4.3742 -1.4116 -1.4107 1.9238 1.9271 8.7573 8.7734 10.3919 10.4084 11.7939 11.7980 12.6013 12.6090 14.5177 14.5400 18.4163 18.4672 k = 0.2593-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4537 -5.4522 -5.3497 -5.3461 -4.5815 -4.5798 -4.5344 -4.5327 -4.3858 -4.3785 -1.3316 -1.3309 2.0115 2.0149 8.5176 8.5322 10.3931 10.4114 11.8710 11.8781 12.4173 12.4281 14.5894 14.6124 18.4989 18.5556 k = 0.2685-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4521 -5.4505 -5.3459 -5.3424 -4.5827 -4.5804 -4.5305 -4.5277 -4.3891 -4.3823 -1.2492 -1.2486 2.1024 2.1060 8.2796 8.2929 10.3771 10.3971 11.9456 11.9568 12.2606 12.2756 14.6625 14.6864 18.5811 18.6455 k = 0.2778-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4508 -5.4490 -5.3424 -5.3391 -4.5840 -4.5813 -4.5262 -4.5224 -4.3917 -4.3856 -1.1645 -1.1640 2.1964 2.2002 8.0438 8.0561 10.3386 10.3600 11.9984 12.0142 12.1561 12.1755 14.7370 14.7617 18.6609 18.7364 k = 0.2870-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4496 -5.4477 -5.3393 -5.3362 -4.5855 -4.5824 -4.5216 -4.5169 -4.3937 -4.3884 -1.0774 -1.0771 2.2936 2.2975 7.8108 7.8222 10.2732 10.2954 11.9768 11.9810 12.1772 12.1844 14.8126 14.8383 18.7351 18.8269 k = 0.2963-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4485 -5.4466 -5.3367 -5.3338 -4.5872 -4.5839 -4.5169 -4.5114 -4.3950 -4.3905 -0.9883 -0.9881 2.3939 2.3979 7.5809 7.5915 10.1793 10.2016 11.9247 11.9272 12.2574 12.2579 14.8891 14.9158 18.7964 18.9138 k = 0.3056-0.0000 0.2598 ( 1512 PWs) bands (ev): -5.4476 -5.4456 -5.3345 -5.3318 -4.5890 -4.5856 -4.5122 -4.5060 -4.3955 -4.3918 -0.8971 -0.8970 2.4972 2.5014 7.3545 7.3644 10.0582 10.0800 11.8931 11.8974 12.3448 12.3488 14.9664 14.9940 18.8296 18.9864 k = 0.3148-0.0000 0.2598 ( 1518 PWs) bands (ev): -5.4469 -5.4448 -5.3327 -5.3302 -4.5909 -4.5875 -4.5076 -4.5007 -4.3952 -4.3924 -0.8041 -0.8041 2.6035 2.6077 7.1318 7.1411 9.9141 9.9350 11.8878 11.8923 12.4374 12.4435 15.0441 15.0728 18.8085 19.0042 k = 0.3241-0.0000 0.2598 ( 1516 PWs) bands (ev): -5.4462 -5.4441 -5.3313 -5.3289 -4.5930 -4.5896 -4.5033 -4.4958 -4.3941 -4.3921 -0.7094 -0.7093 2.7126 2.7170 6.9132 6.9219 9.7521 9.7718 11.9047 11.9088 12.5329 12.5406 15.1221 15.1518 18.7180 18.8769 k = 0.3333-0.0000 0.2598 ( 1516 PWs) bands (ev): -5.4456 -5.4435 -5.3303 -5.3281 -4.5952 -4.5919 -4.4992 -4.4914 -4.3921 -4.3909 -0.6133 -0.6130 2.8244 2.8289 6.6991 6.7072 9.5772 9.5956 11.9391 11.9423 12.6304 12.6395 15.1999 15.2308 18.5784 18.6912 k = 0.3426-0.0000 0.2598 ( 1520 PWs) bands (ev): -5.4451 -5.4430 -5.3296 -5.3276 -4.5975 -4.5944 -4.4956 -4.4874 -4.3894 -4.3888 -0.5158 -0.5154 2.9389 2.9435 6.4896 6.4973 9.3935 9.4108 11.9866 11.9890 12.7294 12.7395 15.2774 15.3094 18.4158 18.5003 k = 0.3519-0.0000 0.2598 ( 1516 PWs) bands (ev): -5.4447 -5.4426 -5.3292 -5.3274 -4.5998 -4.5969 -4.4923 -4.4841 -4.3859 -4.3859 -0.4174 -0.4169 3.0557 3.0604 6.2853 6.2925 9.2044 9.2205 12.0442 12.0457 12.8294 12.8405 15.3542 15.3874 18.2448 18.3115 k = 0.3611-0.0000 0.2598 ( 1514 PWs) bands (ev): -5.4443 -5.4423 -5.3291 -5.3274 -4.6022 -4.5994 -4.4895 -4.4814 -4.3822 -4.3818 -0.3182 -0.3176 3.1748 3.1796 6.0865 6.0932 9.0123 9.0274 12.1091 12.1099 12.9299 12.9419 15.4299 15.4643 18.0719 18.1267 k = 0.3704-0.0000 0.2598 ( 1514 PWs) bands (ev): -5.4440 -5.4420 -5.3292 -5.3276 -4.6045 -4.6020 -4.4870 -4.4792 -4.3779 -4.3772 -0.2188 -0.2181 3.2957 3.3006 5.8936 5.9000 8.8192 8.8334 12.1794 12.1794 13.0306 13.0433 15.5041 15.5398 17.9008 17.9470 k = 0.3796-0.0000 0.2598 ( 1510 PWs) bands (ev): -5.4437 -5.4418 -5.3294 -5.3281 -4.6069 -4.6046 -4.4849 -4.4774 -4.3731 -4.3722 -0.1195 -0.1187 3.4183 3.4232 5.7073 5.7132 8.6266 8.6400 12.2528 12.2534 13.1310 13.1443 15.5765 15.6134 17.7334 17.7731 k = 0.3889-0.0000 0.2598 ( 1500 PWs) bands (ev): -5.4435 -5.4417 -5.3299 -5.3286 -4.6091 -4.6071 -4.4832 -4.4761 -4.3680 -4.3671 -0.0209 -0.0201 3.5419 3.5470 5.5281 5.5336 8.4360 8.4485 12.3287 12.3297 13.2304 13.2443 15.6467 15.6847 17.5711 17.6056 k = 0.3981-0.0000 0.2598 ( 1496 PWs) bands (ev): -5.4433 -5.4416 -5.3304 -5.3293 -4.6113 -4.6095 -4.4817 -4.4751 -4.3628 -4.3618 0.0764 0.0773 3.6662 3.6712 5.3568 5.3619 8.2484 8.2602 12.4057 12.4071 13.3283 13.3425 15.7142 15.7533 17.4152 17.4454 k = 0.4074-0.0000 0.2598 ( 1496 PWs) bands (ev): -5.4432 -5.4416 -5.3310 -5.3300 -4.6134 -4.6118 -4.4804 -4.4744 -4.3576 -4.3567 0.1716 0.1725 3.7902 3.7953 5.1942 5.1989 8.0651 8.0762 12.4826 12.4845 13.4239 13.4383 15.7786 15.8185 17.2665 17.2931 k = 0.4167-0.0000 0.2598 ( 1492 PWs) bands (ev): -5.4430 -5.4416 -5.3316 -5.3308 -4.6154 -4.6140 -4.4793 -4.4739 -4.3525 -4.3516 0.2639 0.2648 3.9130 3.9180 5.0416 5.0458 7.8873 7.8976 12.5584 12.5605 13.5163 13.5308 15.8394 15.8800 17.1263 17.1496 k = 0.4259-0.0000 0.2598 ( 1496 PWs) bands (ev): -5.4429 -5.4416 -5.3323 -5.3316 -4.6172 -4.6160 -4.4783 -4.4735 -4.3477 -4.3469 0.3522 0.3531 4.0331 4.0380 4.9003 4.9041 7.7164 7.7260 12.6317 12.6339 13.6047 13.6189 15.8962 15.9370 16.9955 17.0158 k = 0.4352-0.0000 0.2598 ( 1498 PWs) bands (ev): -5.4428 -5.4416 -5.3329 -5.3323 -4.6189 -4.6178 -4.4775 -4.4733 -4.3433 -4.3425 0.4353 0.4362 4.1482 4.1528 4.7725 4.7757 7.5542 7.5630 12.7013 12.7036 13.6878 13.7015 15.9488 15.9890 16.8754 16.8928 k = 0.4444-0.0000 0.2598 ( 1498 PWs) bands (ev): -5.4428 -5.4417 -5.3335 -5.3330 -4.6203 -4.6194 -4.4767 -4.4732 -4.3392 -4.3386 0.5119 0.5128 4.2539 4.2579 4.6623 4.6647 7.4026 7.4106 12.7658 12.7680 13.7643 13.7772 15.9966 16.0355 16.7671 16.7817 k = 0.4537-0.0000 0.2598 ( 1494 PWs) bands (ev): -5.4427 -5.4418 -5.3341 -5.3336 -4.6216 -4.6208 -4.4761 -4.4731 -4.3357 -4.3352 0.5806 0.5814 4.3382 4.3409 4.5809 4.5819 7.2643 7.2714 12.8239 12.8259 13.8330 13.8446 16.0393 16.0758 16.6720 16.6838 k = 0.4630-0.0000 0.2598 ( 1494 PWs) bands (ev): -5.4426 -5.4419 -5.3345 -5.3342 -4.6226 -4.6220 -4.4755 -4.4732 -4.3327 -4.3323 0.6398 0.6405 4.3671 4.3672 4.5600 4.5617 7.1425 7.1485 12.8740 12.8758 13.8924 13.9023 16.0767 16.1093 16.5913 16.6004 k = 0.4722-0.0000 0.2598 ( 1492 PWs) bands (ev): -5.4425 -5.4420 -5.3349 -5.3346 -4.6234 -4.6230 -4.4751 -4.4733 -4.3304 -4.3301 0.6879 0.6884 4.3348 4.3359 4.6015 4.6041 7.0412 7.0459 12.9148 12.9162 13.9408 13.9488 16.1085 16.1355 16.5264 16.5328 k = 0.4815-0.0000 0.2598 ( 1490 PWs) bands (ev): -5.4424 -5.4421 -5.3351 -5.3350 -4.6239 -4.6237 -4.4746 -4.4735 -4.3287 -4.3284 0.7235 0.7239 4.2952 4.2962 4.6520 4.6541 6.9645 6.9678 12.9451 12.9461 13.9771 13.9826 16.1339 16.1535 16.4787 16.4825 k = 0.4907-0.0000 0.2598 ( 1486 PWs) bands (ev): -5.4424 -5.4422 -5.3353 -5.3352 -4.6242 -4.6241 -4.4743 -4.4737 -4.3276 -4.3275 0.7454 0.7456 4.2683 4.2688 4.6875 4.6887 6.9167 6.9184 12.9638 12.9643 13.9999 14.0028 16.1522 16.1625 16.4494 16.4511 k = 0.5000-0.0000 0.2598 ( 1484 PWs) bands (ev): -5.4423 -5.4423 -5.3353 -5.3353 -4.6243 -4.6243 -4.4739 -4.4739 -4.3272 -4.3272 0.7529 0.7529 4.2592 4.2592 4.7005 4.7005 6.9010 6.9010 12.9703 12.9703 14.0086 14.0086 16.1621 16.1621 16.4400 16.4400 k = 0.5000-0.0000 0.2598 ( 1484 PWs) bands (ev): -5.4423 -5.4423 -5.3353 -5.3353 -4.6243 -4.6243 -4.4739 -4.4739 -4.3272 -4.3272 0.7529 0.7529 4.2592 4.2592 4.7005 4.7005 6.9010 6.9010 12.9703 12.9703 14.0086 14.0086 16.1621 16.1621 16.4400 16.4400 k = 0.5000 0.0092 0.2598 ( 1484 PWs) bands (ev): -5.4421 -5.4421 -5.3353 -5.3353 -4.6243 -4.6243 -4.4740 -4.4740 -4.3272 -4.3272 0.7544 0.7544 4.2604 4.2604 4.7019 4.7019 6.9026 6.9026 12.9711 12.9711 14.0095 14.0095 16.1460 16.1460 16.4412 16.4412 k = 0.5000 0.0183 0.2598 ( 1484 PWs) bands (ev): -5.4415 -5.4415 -5.3353 -5.3353 -4.6243 -4.6243 -4.4742 -4.4742 -4.3272 -4.3272 0.7589 0.7589 4.2643 4.2643 4.7060 4.7060 6.9076 6.9076 12.9734 12.9734 14.0122 14.0122 16.0986 16.0986 16.4447 16.4447 k = 0.5000 0.0275 0.2598 ( 1488 PWs) bands (ev): -5.4406 -5.4406 -5.3352 -5.3352 -4.6242 -4.6242 -4.4746 -4.4746 -4.3273 -4.3273 0.7664 0.7664 4.2707 4.2707 4.7129 4.7129 6.9159 6.9159 12.9773 12.9773 14.0165 14.0165 16.0217 16.0217 16.4506 16.4506 k = 0.5000 0.0366 0.2598 ( 1488 PWs) bands (ev): -5.4394 -5.4394 -5.3352 -5.3352 -4.6242 -4.6242 -4.4751 -4.4751 -4.3274 -4.3274 0.7769 0.7769 4.2797 4.2797 4.7226 4.7226 6.9275 6.9275 12.9827 12.9827 14.0220 14.0220 15.9187 15.9187 16.4589 16.4589 k = 0.5000 0.0458 0.2598 ( 1492 PWs) bands (ev): -5.4378 -5.4378 -5.3352 -5.3352 -4.6241 -4.6241 -4.4758 -4.4758 -4.3274 -4.3274 0.7903 0.7903 4.2913 4.2913 4.7351 4.7351 6.9424 6.9424 12.9895 12.9895 14.0282 14.0282 15.7932 15.7932 16.4695 16.4695 k = 0.5000 0.0549 0.2598 ( 1488 PWs) bands (ev): -5.4360 -5.4360 -5.3352 -5.3352 -4.6240 -4.6240 -4.4766 -4.4766 -4.3274 -4.3274 0.8068 0.8068 4.3054 4.3054 4.7503 4.7503 6.9605 6.9605 12.9975 12.9975 14.0342 14.0342 15.6499 15.6499 16.4823 16.4823 k = 0.5000 0.0641 0.2598 ( 1488 PWs) bands (ev): -5.4338 -5.4338 -5.3351 -5.3351 -4.6238 -4.6238 -4.4776 -4.4776 -4.3274 -4.3274 0.8263 0.8263 4.3220 4.3220 4.7683 4.7683 6.9820 6.9820 13.0067 13.0067 14.0386 14.0386 15.4936 15.4936 16.4973 16.4973 k = 0.5000 0.0732 0.2598 ( 1492 PWs) bands (ev): -5.4314 -5.4314 -5.3351 -5.3351 -4.6236 -4.6236 -4.4788 -4.4788 -4.3272 -4.3272 0.8487 0.8487 4.3412 4.3412 4.7891 4.7891 7.0066 7.0066 13.0167 13.0167 14.0391 14.0391 15.3300 15.3300 16.5144 16.5144 k = 0.5000 0.0824 0.2598 ( 1500 PWs) bands (ev): -5.4288 -5.4288 -5.3351 -5.3351 -4.6233 -4.6233 -4.4801 -4.4801 -4.3270 -4.3270 0.8741 0.8741 4.3628 4.3628 4.8127 4.8127 7.0344 7.0344 13.0272 13.0272 14.0319 14.0319 15.1657 15.1657 16.5336 16.5336 k = 0.5000 0.0915 0.2598 ( 1504 PWs) bands (ev): -5.4261 -5.4261 -5.3351 -5.3351 -4.6229 -4.6229 -4.4816 -4.4816 -4.3266 -4.3266 0.9025 0.9025 4.3869 4.3869 4.8391 4.8391 7.0655 7.0655 13.0378 13.0378 14.0109 14.0109 15.0097 15.0097 16.5547 16.5547 k = 0.5000 0.1007 0.2598 ( 1504 PWs) bands (ev): -5.4232 -5.4232 -5.3351 -5.3351 -4.6225 -4.6225 -4.4833 -4.4833 -4.3260 -4.3260 0.9338 0.9338 4.4134 4.4134 4.8683 4.8683 7.0996 7.0996 13.0475 13.0475 13.9675 13.9675 14.8733 14.8733 16.5776 16.5776 k = 0.5000 0.1099 0.2598 ( 1500 PWs) bands (ev): -5.4202 -5.4202 -5.3352 -5.3352 -4.6219 -4.6219 -4.4851 -4.4851 -4.3252 -4.3252 0.9680 0.9680 4.4424 4.4424 4.9004 4.9004 7.1368 7.1368 13.0550 13.0550 13.8925 13.8925 14.7685 14.7685 16.6020 16.6020 k = 0.5000 0.1190 0.2598 ( 1500 PWs) bands (ev): -5.4171 -5.4171 -5.3353 -5.3353 -4.6212 -4.6212 -4.4871 -4.4871 -4.3242 -4.3242 1.0052 1.0052 4.4737 4.4737 4.9352 4.9352 7.1771 7.1771 13.0575 13.0575 13.7830 13.7830 14.7021 14.7021 16.6277 16.6277 k = 0.5000 0.1282 0.2598 ( 1504 PWs) bands (ev): -5.4140 -5.4140 -5.3354 -5.3354 -4.6205 -4.6205 -4.4891 -4.4891 -4.3229 -4.3229 1.0453 1.0453 4.5073 4.5073 4.9729 4.9729 7.2204 7.2204 13.0494 13.0494 13.6484 13.6484 14.6711 14.6711 16.6544 16.6544 k = 0.5000 0.1373 0.2598 ( 1500 PWs) bands (ev): -5.4110 -5.4110 -5.3356 -5.3356 -4.6196 -4.6196 -4.4913 -4.4913 -4.3213 -4.3213 1.0883 1.0883 4.5433 4.5433 5.0135 5.0135 7.2666 7.2666 13.0183 13.0183 13.5103 13.5103 14.6673 14.6673 16.6815 16.6815 k = 0.5000 0.1465 0.2598 ( 1500 PWs) bands (ev): -5.4080 -5.4080 -5.3359 -5.3359 -4.6187 -4.6187 -4.4935 -4.4935 -4.3194 -4.3194 1.1342 1.1342 4.5815 4.5815 5.0568 5.0568 7.3157 7.3157 12.9419 12.9419 13.3993 13.3993 14.6824 14.6824 16.7083 16.7083 k = 0.5000 0.1556 0.2598 ( 1500 PWs) bands (ev): -5.4051 -5.4051 -5.3363 -5.3363 -4.6178 -4.6178 -4.4958 -4.4958 -4.3171 -4.3171 1.1830 1.1830 4.6219 4.6219 5.1031 5.1031 7.3677 7.3677 12.8059 12.8059 13.3357 13.3357 14.7106 14.7106 16.7334 16.7334 k = 0.5000 0.1648 0.2598 ( 1504 PWs) bands (ev): -5.4023 -5.4023 -5.3367 -5.3367 -4.6169 -4.6169 -4.4980 -4.4980 -4.3144 -4.3144 1.2346 1.2346 4.6644 4.6644 5.1522 5.1522 7.4224 7.4224 12.6251 12.6251 13.3083 13.3083 14.7484 14.7484 16.7523 16.7523 k = 0.5000 0.1739 0.2598 ( 1508 PWs) bands (ev): -5.3997 -5.3997 -5.3373 -5.3373 -4.6160 -4.6160 -4.5001 -4.5001 -4.3113 -4.3113 1.2891 1.2891 4.7090 4.7090 5.2042 5.2042 7.4798 7.4798 12.4203 12.4203 13.2982 13.2982 14.7934 14.7934 16.6495 16.6495 k = 0.5000 0.1831 0.2598 ( 1504 PWs) bands (ev): -5.3972 -5.3972 -5.3380 -5.3380 -4.6152 -4.6152 -4.5020 -4.5020 -4.3079 -4.3079 1.3463 1.3463 4.7556 4.7556 5.2591 5.2591 7.5398 7.5398 12.2034 12.2034 13.2944 13.2944 14.8441 14.8441 16.4785 16.4785 k = 0.5000 0.1922 0.2598 ( 1504 PWs) bands (ev): -5.3949 -5.3949 -5.3389 -5.3389 -4.6146 -4.6146 -4.5037 -4.5037 -4.3040 -4.3040 1.4064 1.4064 4.8041 4.8041 5.3169 5.3169 7.6024 7.6024 11.9801 11.9801 13.2912 13.2912 14.8994 14.8994 16.2980 16.2980 k = 0.5000 0.2014 0.2598 ( 1500 PWs) bands (ev): -5.3928 -5.3928 -5.3398 -5.3398 -4.6142 -4.6142 -4.5050 -4.5050 -4.2997 -4.2997 1.4691 1.4691 4.8544 4.8544 5.3776 5.3776 7.6674 7.6674 11.7537 11.7537 13.2850 13.2850 14.9586 14.9586 16.1116 16.1116 k = 0.5000 0.2106 0.2598 ( 1500 PWs) bands (ev): -5.3909 -5.3909 -5.3410 -5.3410 -4.6140 -4.6140 -4.5061 -4.5061 -4.2950 -4.2950 1.5346 1.5346 4.9065 4.9065 5.4412 5.4412 7.7348 7.7348 11.5258 11.5258 13.2731 13.2731 15.0210 15.0210 15.9219 15.9219 k = 0.5000 0.2197 0.2598 ( 1496 PWs) bands (ev): -5.3892 -5.3892 -5.3423 -5.3423 -4.6143 -4.6143 -4.5067 -4.5067 -4.2899 -4.2899 1.6028 1.6028 4.9602 4.9602 5.5077 5.5077 7.8044 7.8044 11.2977 11.2977 13.2529 13.2529 15.0856 15.0856 15.7309 15.7309 k = 0.5000 0.2289 0.2598 ( 1496 PWs) bands (ev): -5.3876 -5.3876 -5.3437 -5.3437 -4.6149 -4.6149 -4.5068 -4.5068 -4.2843 -4.2843 1.6736 1.6736 5.0155 5.0155 5.5772 5.5772 7.8761 7.8761 11.0701 11.0701 13.2220 13.2220 15.1510 15.1510 15.5403 15.5403 k = 0.5000 0.2380 0.2598 ( 1496 PWs) bands (ev): -5.3863 -5.3863 -5.3454 -5.3454 -4.6159 -4.6159 -4.5065 -4.5065 -4.2784 -4.2784 1.7470 1.7470 5.0721 5.0721 5.6495 5.6495 7.9498 7.9498 10.8437 10.8437 13.1779 13.1779 15.2131 15.2131 15.3523 15.3523 k = 0.5000 0.2472 0.2598 ( 1496 PWs) bands (ev): -5.3852 -5.3852 -5.3471 -5.3471 -4.6173 -4.6173 -4.5057 -4.5057 -4.2720 -4.2720 1.8229 1.8229 5.1300 5.1300 5.7247 5.7247 8.0254 8.0254 10.6190 10.6190 13.1188 13.1188 15.1588 15.1588 15.2724 15.2724 k = 0.5000 0.2563 0.2598 ( 1492 PWs) bands (ev): -5.3842 -5.3842 -5.3491 -5.3491 -4.6191 -4.6191 -4.5046 -4.5046 -4.2653 -4.2653 1.9013 1.9013 5.1890 5.1890 5.8028 5.8028 8.1028 8.1028 10.3964 10.3964 13.0431 13.0431 14.9759 14.9759 15.2891 15.2891 k = 0.5000 0.2655 0.2598 ( 1492 PWs) bands (ev): -5.3835 -5.3835 -5.3511 -5.3511 -4.6213 -4.6213 -4.5030 -4.5030 -4.2583 -4.2583 1.9820 1.9820 5.2489 5.2489 5.8838 5.8838 8.1817 8.1817 10.1763 10.1763 12.9504 12.9504 14.7944 14.7944 15.2600 15.2600 k = 0.5000 0.2746 0.2598 ( 1492 PWs) bands (ev): -5.3829 -5.3829 -5.3533 -5.3533 -4.6237 -4.6237 -4.5011 -4.5011 -4.2509 -4.2509 2.0651 2.0651 5.3096 5.3096 5.9676 5.9676 8.2620 8.2620 9.9589 9.9589 12.8411 12.8411 14.6163 14.6163 15.2188 15.2188 k = 0.5000 0.2838 0.2598 ( 1488 PWs) bands (ev): -5.3824 -5.3824 -5.3556 -5.3556 -4.6264 -4.6264 -4.4990 -4.4990 -4.2433 -4.2433 2.1503 2.1503 5.3708 5.3708 6.0542 6.0542 8.3435 8.3435 9.7447 9.7447 12.7167 12.7167 14.4420 14.4420 15.1864 15.1864 k = 0.5000 0.2929 0.2598 ( 1488 PWs) bands (ev): -5.3822 -5.3822 -5.3580 -5.3580 -4.6293 -4.6293 -4.4967 -4.4967 -4.2355 -4.2355 2.2376 2.2376 5.4324 5.4324 6.1435 6.1435 8.4259 8.4259 9.5339 9.5339 12.5791 12.5791 14.2720 14.2720 15.1673 15.1673 k = 0.5000 0.3021 0.2598 ( 1500 PWs) bands (ev): -5.3821 -5.3821 -5.3604 -5.3604 -4.6324 -4.6324 -4.4942 -4.4942 -4.2275 -4.2275 2.3269 2.3269 5.4940 5.4940 6.2356 6.2356 8.5089 8.5089 9.3270 9.3270 12.4307 12.4307 14.1066 14.1066 15.1610 15.1610 k = 0.5000 0.3112 0.2598 ( 1496 PWs) bands (ev): -5.3821 -5.3821 -5.3628 -5.3628 -4.6355 -4.6355 -4.4917 -4.4917 -4.2194 -4.2194 2.4179 2.4179 5.5555 5.5555 6.3302 6.3302 8.5919 8.5919 9.1244 9.1244 12.2738 12.2738 13.9461 13.9461 15.1658 15.1658 k = 0.5000 0.3204 0.2598 ( 1496 PWs) bands (ev): -5.3824 -5.3824 -5.3651 -5.3651 -4.6387 -4.6387 -4.4892 -4.4892 -4.2112 -4.2112 2.5104 2.5104 5.6164 5.6164 6.4273 6.4273 8.6733 8.6733 8.9282 8.9282 12.1106 12.1106 13.7911 13.7911 15.1793 15.1793 k = 0.5000 0.3296 0.2598 ( 1488 PWs) bands (ev): -5.3828 -5.3828 -5.3673 -5.3673 -4.6418 -4.6418 -4.4867 -4.4867 -4.2031 -4.2031 2.6044 2.6044 5.6766 5.6766 6.5267 6.5267 8.7059 8.7059 8.7852 8.7852 11.9430 11.9430 13.6416 13.6416 15.1965 15.1965 k = 0.5000 0.3387 0.2598 ( 1480 PWs) bands (ev): -5.3835 -5.3835 -5.3694 -5.3694 -4.6449 -4.6449 -4.4842 -4.4842 -4.1950 -4.1950 2.6993 2.6993 5.7357 5.7357 6.6282 6.6282 8.5355 8.5355 8.8501 8.8501 11.7726 11.7726 13.4983 13.4983 15.1900 15.1900 k = 0.5000 0.3479 0.2598 ( 1476 PWs) bands (ev): -5.3844 -5.3844 -5.3712 -5.3712 -4.6480 -4.6480 -4.4818 -4.4818 -4.1871 -4.1871 2.7950 2.7950 5.7932 5.7932 6.7316 6.7316 8.3540 8.3540 8.9307 8.9307 11.6011 11.6011 13.3613 13.3613 15.0868 15.0868 k = 0.5000 0.3570 0.2598 ( 1480 PWs) bands (ev): -5.3855 -5.3855 -5.3728 -5.3728 -4.6509 -4.6509 -4.4795 -4.4795 -4.1794 -4.1794 2.8910 2.8910 5.8488 5.8488 6.8365 6.8365 8.1776 8.1776 9.0111 9.0111 11.4296 11.4296 13.2312 13.2312 14.9555 14.9555 k = 0.5000 0.3662 0.2598 ( 1480 PWs) bands (ev): -5.3869 -5.3869 -5.3741 -5.3741 -4.6537 -4.6537 -4.4774 -4.4774 -4.1719 -4.1719 2.9868 2.9868 5.9019 5.9019 6.9424 6.9424 8.0081 8.0081 9.0900 9.0900 11.2594 11.2594 13.1083 13.1083 14.8250 14.8250 k = 0.5000 0.3753 0.2598 ( 1488 PWs) bands (ev): -5.3885 -5.3885 -5.3752 -5.3752 -4.6564 -4.6564 -4.4754 -4.4754 -4.1648 -4.1648 3.0820 3.0820 5.9522 5.9522 7.0482 7.0482 7.8470 7.8470 9.1664 9.1664 11.0917 11.0917 12.9929 12.9929 14.6992 14.6992 k = 0.5000 0.3845 0.2598 ( 1488 PWs) bands (ev): -5.3901 -5.3901 -5.3761 -5.3761 -4.6588 -4.6588 -4.4735 -4.4735 -4.1581 -4.1581 3.1756 3.1756 5.9990 5.9990 7.1519 7.1519 7.6967 7.6967 9.2396 9.2396 10.9276 10.9276 12.8857 12.8857 14.5797 14.5797 k = 0.5000 0.3936 0.2598 ( 1488 PWs) bands (ev): -5.3917 -5.3917 -5.3768 -5.3768 -4.6611 -4.6611 -4.4718 -4.4718 -4.1519 -4.1519 3.2670 3.2670 6.0417 6.0417 7.2472 7.2472 7.5640 7.5640 9.3089 9.3089 10.7683 10.7683 12.7869 12.7869 14.4676 14.4676 k = 0.5000 0.4028 0.2598 ( 1484 PWs) bands (ev): -5.3933 -5.3933 -5.3774 -5.3774 -4.6632 -4.6632 -4.4703 -4.4703 -4.1461 -4.1461 3.3551 3.3551 6.0798 6.0798 7.2989 7.2989 7.4844 7.4844 9.3732 9.3732 10.6155 10.6155 12.6970 12.6970 14.3638 14.3638 k = 0.5000 0.4119 0.2598 ( 1484 PWs) bands (ev): -5.3948 -5.3948 -5.3778 -5.3778 -4.6650 -4.6650 -4.4689 -4.4689 -4.1410 -4.1410 3.4387 3.4387 6.1127 6.1127 7.2404 7.2404 7.5245 7.5245 9.4316 9.4316 10.4708 10.4708 12.6164 12.6164 14.2694 14.2694 k = 0.5000 0.4211 0.2598 ( 1488 PWs) bands (ev): -5.3962 -5.3962 -5.3782 -5.3782 -4.6666 -4.6666 -4.4677 -4.4677 -4.1364 -4.1364 3.5165 3.5165 6.1397 6.1397 7.1453 7.1453 7.6108 7.6108 9.4829 9.4829 10.3365 10.3365 12.5456 12.5456 14.1851 14.1851 k = 0.5000 0.4303 0.2598 ( 1480 PWs) bands (ev): -5.3974 -5.3974 -5.3785 -5.3785 -4.6680 -4.6680 -4.4667 -4.4667 -4.1324 -4.1324 3.5867 3.5867 6.1606 6.1606 7.0559 7.0559 7.7004 7.7004 9.5257 9.5257 10.2155 10.2155 12.4849 12.4849 14.1119 14.1119 k = 0.5000 0.4394 0.2598 ( 1492 PWs) bands (ev): -5.3984 -5.3984 -5.3788 -5.3788 -4.6692 -4.6692 -4.4659 -4.4659 -4.1291 -4.1291 3.6478 3.6478 6.1753 6.1753 6.9802 6.9802 7.7838 7.7838 9.5585 9.5585 10.1116 10.1116 12.4348 12.4348 14.0506 14.0506 k = 0.5000 0.4486 0.2598 ( 1492 PWs) bands (ev): -5.3992 -5.3992 -5.3790 -5.3790 -4.6701 -4.6701 -4.4652 -4.4652 -4.1266 -4.1266 3.6978 3.6978 6.1845 6.1845 6.9208 6.9208 7.8559 7.8559 9.5802 9.5802 10.0287 10.0287 12.3954 12.3954 14.0020 14.0020 k = 0.5000 0.4577 0.2598 ( 1500 PWs) bands (ev): -5.3998 -5.3998 -5.3791 -5.3791 -4.6707 -4.6707 -4.4648 -4.4648 -4.1247 -4.1247 3.7351 3.7351 6.1893 6.1893 6.8786 6.8786 7.9120 7.9120 9.5911 9.5911 9.9702 9.9702 12.3671 12.3671 13.9668 13.9668 k = 0.5000 0.4669 0.2598 ( 1504 PWs) bands (ev): -5.4002 -5.4002 -5.3792 -5.3792 -4.6711 -4.6711 -4.4645 -4.4645 -4.1236 -4.1236 3.7581 3.7581 6.1912 6.1912 6.8535 6.8535 7.9479 7.9479 9.5942 9.5942 9.9365 9.9365 12.3500 12.3500 13.9455 13.9455 k = 0.5000 0.4760 0.2598 ( 1504 PWs) bands (ev): -5.4003 -5.4003 -5.3793 -5.3793 -4.6712 -4.6712 -4.4644 -4.4644 -4.1232 -4.1232 3.7659 3.7659 6.1917 6.1917 6.8452 6.8452 7.9602 7.9602 9.5944 9.5944 9.9257 9.9257 12.3443 12.3443 13.9383 13.9383 k = 0.5000 0.4760 0.2598 ( 1504 PWs) bands (ev): -5.4003 -5.4003 -5.3793 -5.3793 -4.6712 -4.6712 -4.4644 -4.4644 -4.1232 -4.1232 3.7659 3.7659 6.1917 6.1917 6.8452 6.8452 7.9602 7.9602 9.5944 9.5944 9.9257 9.9257 12.3443 12.3443 13.9383 13.9383 k = 0.4907 0.4760 0.2598 ( 1504 PWs) bands (ev): -5.4002 -5.4001 -5.3794 -5.3790 -4.6714 -4.6708 -4.4646 -4.4644 -4.1238 -4.1237 3.7533 3.7570 6.1890 6.2161 6.8323 6.8563 7.9364 7.9595 9.5029 9.6887 9.8523 10.0170 12.3509 12.3511 13.9450 13.9474 k = 0.4815 0.4760 0.2598 ( 1500 PWs) bands (ev): -5.3998 -5.3997 -5.3793 -5.3787 -4.6711 -4.6700 -4.4649 -4.4644 -4.1256 -4.1253 3.7203 3.7274 6.2058 6.2616 6.8174 6.8676 7.8903 7.9338 9.4210 9.7140 9.8661 10.1195 12.3708 12.3713 13.9674 13.9721 k = 0.4722 0.4760 0.2598 ( 1492 PWs) bands (ev): -5.3991 -5.3990 -5.3791 -5.3782 -4.6705 -4.6688 -4.4653 -4.4646 -4.1284 -4.1281 3.6689 3.6788 6.2369 6.3249 6.8018 6.8823 7.8253 7.8848 9.3478 9.6513 9.9831 10.2330 12.4039 12.4046 14.0051 14.0123 k = 0.4630 0.4760 0.2598 ( 1492 PWs) bands (ev): -5.3983 -5.3980 -5.3788 -5.3776 -4.6696 -4.6674 -4.4659 -4.4650 -4.1323 -4.1319 3.6016 3.6138 6.2745 6.3984 6.7907 6.9059 7.7455 7.8159 9.2802 9.5763 10.1244 10.3576 12.4499 12.4508 14.0576 14.0672 k = 0.4537 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3972 -5.3968 -5.3783 -5.3769 -4.6683 -4.6656 -4.4666 -4.4654 -4.1373 -4.1367 3.5216 3.5353 6.3089 6.4665 6.7965 6.9454 7.6548 7.7312 9.2153 9.4982 10.2776 10.4928 12.5083 12.5095 14.1241 14.1364 k = 0.4444 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3959 -5.3953 -5.3776 -5.3760 -4.6667 -4.6634 -4.4674 -4.4660 -4.1433 -4.1426 3.4315 3.4464 6.3309 6.5046 6.8406 7.0072 7.5572 7.6352 9.1504 9.4178 10.4396 10.6380 12.5788 12.5802 14.2039 14.2189 k = 0.4352 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3945 -5.3937 -5.3767 -5.3750 -4.6648 -4.6610 -4.4683 -4.4667 -4.1503 -4.1495 3.3339 3.3494 6.3353 6.5017 6.9295 7.0931 7.4578 7.5327 9.0839 9.3350 10.6086 10.7921 12.6607 12.6623 14.2961 14.3140 k = 0.4259 0.4760 0.2598 ( 1500 PWs) bands (ev): -5.3930 -5.3919 -5.3756 -5.3738 -4.6625 -4.6583 -4.4693 -4.4675 -4.1583 -4.1573 3.2308 3.2466 6.3218 6.4708 7.0382 7.1948 7.3690 7.4333 9.0146 9.2498 10.7831 10.9539 12.7534 12.7554 14.3999 14.4208 k = 0.4167 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3915 -5.3901 -5.3742 -5.3725 -4.6600 -4.6552 -4.4705 -4.4684 -4.1671 -4.1659 3.1238 3.1397 6.2932 6.4246 7.0996 7.2424 7.3458 7.4052 8.9423 9.1623 10.9620 11.1224 12.8565 12.8588 14.5142 14.5383 k = 0.4074 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3901 -5.3882 -5.3726 -5.3710 -4.6571 -4.6519 -4.4717 -4.4695 -4.1767 -4.1754 3.0144 3.0301 6.2528 6.3692 7.0446 7.1568 7.4513 7.5249 8.8668 9.0728 11.1442 11.2963 12.9693 12.9719 14.6383 14.6658 k = 0.3981 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3887 -5.3863 -5.3706 -5.3692 -4.6540 -4.6483 -4.4731 -4.4706 -4.1870 -4.1855 2.9035 2.9190 6.2035 6.3076 6.9449 7.0445 7.6115 7.6837 8.7885 8.9816 11.3286 11.4745 13.0911 13.0941 14.7712 14.8023 k = 0.3889 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3874 -5.3845 -5.3684 -5.3673 -4.6505 -4.6445 -4.4746 -4.4719 -4.1980 -4.1964 2.7920 2.8072 6.1473 6.2414 6.8354 6.9281 7.7898 7.8573 8.7077 8.8892 11.5142 11.6558 13.2215 13.2248 14.9114 14.9466 k = 0.3796 0.4760 0.2598 ( 1500 PWs) bands (ev): -5.3863 -5.3828 -5.3660 -5.3652 -4.6469 -4.6405 -4.4761 -4.4732 -4.2096 -4.2077 2.6806 2.6954 6.0858 6.1717 6.7235 6.8112 7.9779 8.0408 8.6254 8.7965 11.6996 11.8390 13.3599 13.3636 15.0525 15.0746 k = 0.3704 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3853 -5.3812 -5.3633 -5.3628 -4.6430 -4.6363 -4.4777 -4.4746 -4.2216 -4.2195 2.5698 2.5842 6.0202 6.0994 6.6114 6.6951 8.1717 8.2305 8.5433 8.7050 11.8834 12.0224 13.5056 13.5097 15.0238 15.0746 k = 0.3611 0.4760 0.2598 ( 1492 PWs) bands (ev): -5.3844 -5.3798 -5.3606 -5.3604 -4.6389 -4.6320 -4.4794 -4.4761 -4.2340 -4.2317 2.4601 2.4740 5.9515 6.0250 6.5004 6.5804 8.3626 8.3973 8.4899 8.6224 12.0639 12.2045 13.6583 13.6628 14.9658 15.0312 k = 0.3519 0.4760 0.2598 ( 1492 PWs) bands (ev): -5.3836 -5.3786 -5.3578 -5.3578 -4.6347 -4.6276 -4.4811 -4.4777 -4.2466 -4.2441 2.3517 2.3652 5.8805 5.9491 6.3909 6.4677 8.3550 8.4604 8.6382 8.6509 12.2388 12.3830 13.8172 13.8222 14.9143 14.9935 k = 0.3426 0.4760 0.2598 ( 1492 PWs) bands (ev): -5.3829 -5.3775 -5.3552 -5.3549 -4.6304 -4.6232 -4.4827 -4.4793 -4.2593 -4.2567 2.2451 2.2580 5.8078 5.8721 6.2834 6.3571 8.2707 8.3928 8.8245 8.8590 12.4057 12.5551 13.9818 13.9875 14.8724 14.9668 k = 0.3333 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3824 -5.3766 -5.3526 -5.3522 -4.6260 -4.6188 -4.4844 -4.4809 -4.2721 -4.2692 2.1403 2.1528 5.7339 5.7945 6.1782 6.2490 8.1837 8.3031 9.0378 9.0744 12.5613 12.7173 14.1515 14.1579 14.8435 14.9545 k = 0.3241 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3819 -5.3758 -5.3501 -5.3495 -4.6217 -4.6146 -4.4859 -4.4826 -4.2848 -4.2817 2.0377 2.0497 5.6593 5.7165 6.0754 6.1434 8.0963 8.2108 9.2586 9.2951 12.7020 12.8654 14.3254 14.3329 14.8318 14.9607 k = 0.3148 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3815 -5.3752 -5.3478 -5.3471 -4.6174 -4.6105 -4.4873 -4.4841 -4.2972 -4.2939 1.9373 1.9488 5.5844 5.6386 5.9753 6.0406 8.0090 8.1182 9.4842 9.5202 12.8241 12.9943 14.5021 14.5115 14.8414 14.9890 k = 0.3056 0.4760 0.2598 ( 1496 PWs) bands (ev): -5.3813 -5.3747 -5.3457 -5.3448 -4.6133 -4.6068 -4.4884 -4.4856 -4.3092 -4.3057 1.8393 1.8503 5.5096 5.5610 5.8779 5.9407 7.9224 8.0263 9.7138 9.7492 12.9245 13.0994 14.6791 14.6919 14.8754 15.0427 k = 0.2963 0.4760 0.2598 ( 1504 PWs) bands (ev): -5.3812 -5.3745 -5.3438 -5.3429 -4.6095 -4.6034 -4.4892 -4.4870 -4.3207 -4.3171 1.7438 1.7543 5.4351 5.4839 5.7833 5.8436 7.8366 7.9355 9.9469 9.9818 13.0014 13.1777 14.8503 14.8705 14.9338 15.1239 k = 0.2870 0.4760 0.2598 ( 1504 PWs) bands (ev): -5.3813 -5.3744 -5.3422 -5.3412 -4.6060 -4.6006 -4.4896 -4.4881 -4.3316 -4.3279 1.6508 1.6609 5.3612 5.4076 5.6916 5.7494 7.7520 7.8460 10.1830 10.2177 13.0547 13.2284 14.9937 14.9980 15.0529 15.2333 k = 0.2778 0.4760 0.2598 ( 1516 PWs) bands (ev): -5.3815 -5.3745 -5.3410 -5.3400 -4.6029 -4.5984 -4.4896 -4.4889 -4.3418 -4.3380 1.5605 1.5702 5.2882 5.3324 5.6028 5.6583 7.6687 7.7580 10.4218 10.4565 13.0863 13.2541 15.0381 15.0789 15.2179 15.3696 k = 0.2685 0.4760 0.2598 ( 1520 PWs) bands (ev): -5.3819 -5.3749 -5.3401 -5.3391 -4.6004 -4.5969 -4.4895 -4.4891 -4.3511 -4.3474 1.4729 1.4821 5.2163 5.2584 5.5170 5.5701 7.5869 7.6718 10.6628 10.6979 13.0992 13.2588 15.0275 15.0719 15.3821 15.5261 k = 0.2593 0.4760 0.2598 ( 1524 PWs) bands (ev): -5.3825 -5.3756 -5.3396 -5.3386 -4.5985 -4.5961 -4.4897 -4.4881 -4.3595 -4.3558 1.3881 1.3969 5.1457 5.1857 5.4342 5.4850 7.5068 7.5875 10.9057 10.9415 13.0970 13.2474 14.9787 15.0207 15.5557 15.6979 k = 0.2500 0.4760 0.2598 ( 1532 PWs) bands (ev): -5.3834 -5.3766 -5.3395 -5.3385 -4.5972 -4.5959 -4.4895 -4.4866 -4.3669 -4.3633 1.3061 1.3144 5.0766 5.1146 5.3543 5.4029 7.4285 7.5052 11.1499 11.1867 13.0834 13.2244 14.9138 14.9556 15.7407 15.8827 k = 0.2407 0.4760 0.2598 ( 1528 PWs) bands (ev): -5.3846 -5.3779 -5.3397 -5.3388 -4.5965 -4.5963 -4.4890 -4.4848 -4.3731 -4.3697 1.2269 1.2348 5.0090 5.0452 5.2775 5.3238 7.3522 7.4250 11.3947 11.4329 13.0616 13.1937 14.8432 14.8870 15.9334 16.0765 k = 0.2315 0.4760 0.2598 ( 1528 PWs) bands (ev): -5.3861 -5.3796 -5.3402 -5.3395 -4.5972 -4.5964 -4.4882 -4.4828 -4.3782 -4.3750 1.1506 1.1581 4.9433 4.9777 5.2036 5.2478 7.2780 7.3471 11.6389 11.6791 13.0346 13.1588 14.7713 14.8190 16.1285 16.2738 k = 0.2222 0.4760 0.2598 ( 1528 PWs) bands (ev): -5.3880 -5.3818 -5.3409 -5.3404 -4.5985 -4.5968 -4.4873 -4.4808 -4.3820 -4.3791 1.0772 1.0843 4.8795 4.9121 5.1327 5.1747 7.2060 7.2715 11.8809 11.9234 13.0053 13.1229 14.7005 14.7537 16.3186 16.4673 k = 0.2130 0.4760 0.2598 ( 1532 PWs) bands (ev): -5.3903 -5.3844 -5.3418 -5.3416 -4.6000 -4.5976 -4.4863 -4.4789 -4.3847 -4.3820 1.0067 1.0135 4.8176 4.8486 5.0648 5.1047 7.1363 7.1983 12.1174 12.1625 12.9777 13.0903 14.6322 14.6927 16.4944 16.6458 k = 0.2037 0.4760 0.2598 ( 1524 PWs) bands (ev): -5.3932 -5.3877 -5.3430 -5.3429 -4.6016 -4.5985 -4.4855 -4.4773 -4.3861 -4.3837 0.9391 0.9455 4.7579 4.7872 4.9999 5.0378 7.0691 7.1277 12.3409 12.3884 12.9588 13.0693 14.5675 14.6376 16.6431 16.7925 k = 0.1944 0.4760 0.2598 ( 1524 PWs) bands (ev): -5.3965 -5.3915 -5.3444 -5.3440 -4.6032 -4.5997 -4.4848 -4.4761 -4.3863 -4.3841 0.8745 0.8806 4.7004 4.7281 4.9379 4.9738 7.0043 7.0597 12.5316 12.5804 12.9675 13.0802 14.5081 14.5905 16.7528 16.8909 k = 0.1852 0.4760 0.2598 ( 1520 PWs) bands (ev): -5.4004 -5.3958 -5.3459 -5.3452 -4.6047 -4.6008 -4.4844 -4.4754 -4.3855 -4.3833 0.8129 0.8186 4.6452 4.6713 4.8789 4.9128 6.9421 6.9943 12.6464 12.6972 13.0445 13.1626 14.4560 14.5547 16.8198 16.9394 k = 0.1759 0.4760 0.2598 ( 1516 PWs) bands (ev): -5.4048 -5.4007 -5.3473 -5.3463 -4.6060 -4.6019 -4.4842 -4.4752 -4.3838 -4.3816 0.7542 0.7595 4.5924 4.6170 4.8228 4.8548 6.8826 6.9317 12.6748 12.7289 13.1954 13.3228 14.4154 14.5350 16.8514 16.9517 k = 0.1667 0.4760 0.2598 ( 1520 PWs) bands (ev): -5.4098 -5.4061 -5.3487 -5.3473 -4.6071 -4.6028 -4.4843 -4.4754 -4.3812 -4.3789 0.6985 0.7035 4.5419 4.5651 4.7697 4.7998 6.8257 6.8719 12.6625 12.7171 13.3669 13.5113 14.3941 14.5395 16.8590 16.9431 k = 0.1574 0.4760 0.2598 ( 1520 PWs) bands (ev): -5.4151 -5.4119 -5.3499 -5.3483 -4.6080 -4.6036 -4.4847 -4.4760 -4.3779 -4.3756 0.6458 0.6505 4.4940 4.5157 4.7195 4.7477 6.7717 6.8149 12.6363 12.6893 13.5211 13.6842 14.4087 14.5793 16.8521 16.9234 k = 0.1481 0.4760 0.2598 ( 1524 PWs) bands (ev): -5.4209 -5.4180 -5.3511 -5.3493 -4.6085 -4.6042 -4.4851 -4.4768 -4.3741 -4.3718 0.5961 0.6005 4.4486 4.4689 4.6723 4.6987 6.7205 6.7609 12.6053 12.6557 13.6379 13.8067 14.4837 14.6656 16.8369 16.8982 k = 0.1389 0.4760 0.2598 ( 1528 PWs) bands (ev): -5.4269 -5.4244 -5.3521 -5.3501 -4.6088 -4.6045 -4.4857 -4.4778 -4.3700 -4.3676 0.5494 0.5535 4.4058 4.4247 4.6280 4.6526 6.6722 6.7098 12.5729 12.6202 13.7107 13.8642 14.6293 14.8011 16.8172 16.8704 k = 0.1296 0.4760 0.2598 ( 1528 PWs) bands (ev): -5.4332 -5.4310 -5.3530 -5.3509 -4.6089 -4.6047 -4.4864 -4.4789 -4.3656 -4.3632 0.5057 0.5095 4.3656 4.3832 4.5866 4.6094 6.6269 6.6618 12.5407 12.5847 13.7464 13.8750 14.8248 14.9768 16.7953 16.8419 k = 0.1204 0.4760 0.2598 ( 1528 PWs) bands (ev): -5.4395 -5.4376 -5.3537 -5.3517 -4.6087 -4.6046 -4.4871 -4.4801 -4.3611 -4.3587 0.4650 0.4685 4.3281 4.3443 4.5481 4.5692 6.5846 6.6167 12.5094 12.5501 13.7572 13.8622 15.0455 15.1794 16.7727 16.8137 k = 0.1111 0.4760 0.2598 ( 1528 PWs) bands (ev): -5.4458 -5.4441 -5.3544 -5.3524 -4.6083 -4.6045 -4.4878 -4.4813 -4.3566 -4.3542 0.4274 0.4305 4.2933 4.3082 4.5126 4.5319 6.5453 6.5748 12.4797 12.5170 13.7531 13.8391 15.2766 15.3975 16.7502 16.7864 k = 0.1019 0.4760 0.2598 ( 1524 PWs) bands (ev): -5.4520 -5.4505 -5.3550 -5.3530 -4.6078 -4.6041 -4.4885 -4.4824 -4.3522 -4.3498 0.3927 0.3956 4.2612 4.2748 4.4799 4.4976 6.5091 6.5360 12.4518 12.4857 13.7409 13.8119 15.5102 15.6229 16.7286 16.7605 k = 0.0926 0.4760 0.2598 ( 1524 PWs) bands (ev): -5.4579 -5.4567 -5.3555 -5.3536 -4.6071 -4.6037 -4.4892 -4.4836 -4.3479 -4.3457 0.3611 0.3637 4.2319 4.2442 4.4502 4.4662 6.4760 6.5004 12.4259 12.4566 13.7246 13.7837 15.7413 15.8501 16.7083 16.7362 k = 0.0833 0.4760 0.2598 ( 1528 PWs) bands (ev): -5.4636 -5.4625 -5.3559 -5.3541 -4.6064 -4.6032 -4.4897 -4.4847 -4.3439 -4.3417 0.3325 0.3348 4.2053 4.2164 4.4234 4.4378 6.4461 6.4680 12.4023 12.4297 13.7068 13.7561 15.9658 16.0749 16.6896 16.7138 k = 0.0741 0.4760 0.2598 ( 1524 PWs) bands (ev): -5.4689 -5.4680 -5.3563 -5.3546 -4.6056 -4.6027 -4.4902 -4.4857 -4.3401 -4.3381 0.3069 0.3089 4.1816 4.1914 4.3995 4.4123 6.4194 6.4387 12.3810 12.4053 13.6889 13.7301 16.1795 16.2934 16.6727 16.6934 k = 0.0648 0.4760 0.2598 ( 1520 PWs) bands (ev): -5.4738 -5.4730 -5.3566 -5.3551 -4.6047 -4.6022 -4.4906 -4.4867 -4.3366 -4.3348 0.2843 0.2861 4.1607 4.1693 4.3785 4.3896 6.3959 6.4128 12.3622 12.3834 13.6720 13.7062 16.3774 16.5020 16.6581 16.6753 k = 0.0556 0.4760 0.2598 ( 1520 PWs) bands (ev): -5.4781 -5.4774 -5.3568 -5.3555 -4.6039 -4.6017 -4.4910 -4.4876 -4.3335 -4.3319 0.2647 0.2663 4.1426 4.1499 4.3605 4.3700 6.3756 6.3900 12.3460 12.3641 13.6567 13.6848 16.5508 16.6479 16.6566 16.6996 k = 0.0463 0.4760 0.2598 ( 1520 PWs) bands (ev): -5.4818 -5.4813 -5.3570 -5.3559 -4.6032 -4.6013 -4.4912 -4.4883 -4.3308 -4.3295 0.2482 0.2495 4.1274 4.1335 4.3453 4.3532 6.3586 6.3706 12.3324 12.3474 13.6435 13.6662 16.6266 16.6443 16.7069 16.8746 k = 0.0370 0.4760 0.2598 ( 1520 PWs) bands (ev): -5.4849 -5.4845 -5.3571 -5.3562 -4.6025 -4.6010 -4.4913 -4.4890 -4.3285 -4.3274 0.2347 0.2357 4.1150 4.1199 4.3330 4.3393 6.3449 6.3545 12.3215 12.3335 13.6327 13.6504 16.6211 16.6328 16.8106 16.9959 k = 0.0278 0.4760 0.2598 ( 1528 PWs) bands (ev): -5.4874 -5.4871 -5.3572 -5.3565 -4.6019 -4.6007 -4.4914 -4.4897 -4.3267 -4.3259 0.2242 0.2250 4.1055 4.1092 4.3236 4.3284 6.3345 6.3416 12.3133 12.3222 13.6246 13.6376 16.6151 16.6234 16.8777 16.9911 k = 0.0185 0.4760 0.2598 ( 1532 PWs) bands (ev): -5.4892 -5.4890 -5.3572 -5.3567 -4.6014 -4.6006 -4.4913 -4.4902 -4.3254 -4.3248 0.2168 0.2173 4.0989 4.1013 4.3172 4.3203 6.3274 6.3321 12.3078 12.3138 13.6193 13.6278 16.6109 16.6163 16.9169 16.9802 k = 0.0093 0.4760 0.2598 ( 1536 PWs) bands (ev): -5.4902 -5.4901 -5.3572 -5.3569 -4.6010 -4.6006 -4.4912 -4.4906 -4.3245 -4.3242 0.2124 0.2126 4.0952 4.0964 4.3136 4.3152 6.3236 6.3260 12.3051 12.3081 13.6168 13.6211 16.6088 16.6115 16.9404 16.9688 k = 0.0000 0.4760 0.2598 ( 1532 PWs) bands (ev): -5.4905 -5.4905 -5.3571 -5.3571 -4.6007 -4.6007 -4.4909 -4.4909 -4.3241 -4.3241 0.2110 0.2110 4.0943 4.0943 4.3129 4.3129 6.3231 6.3231 12.3052 12.3052 13.6174 13.6174 16.6090 16.6090 16.9563 16.9563 k = 0.0000 0.4760 0.2598 ( 1532 PWs) bands (ev): -5.4905 -5.4905 -5.3571 -5.3571 -4.6007 -4.6007 -4.4909 -4.4909 -4.3241 -4.3241 0.2110 0.2110 4.0943 4.0943 4.3129 4.3129 6.3231 6.3231 12.3052 12.3052 13.6174 13.6174 16.6090 16.6090 16.9563 16.9563 k = 0.0000 0.4669 0.2598 ( 1536 PWs) bands (ev): -5.4906 -5.4906 -5.3570 -5.3570 -4.6006 -4.6006 -4.4911 -4.4911 -4.3241 -4.3241 0.2054 0.2054 4.0994 4.0994 4.3038 4.3038 6.3387 6.3387 12.3015 12.3015 13.6112 13.6112 16.6159 16.6159 16.9641 16.9641 k = 0.0000 0.4577 0.2598 ( 1532 PWs) bands (ev): -5.4906 -5.4906 -5.3570 -5.3570 -4.6004 -4.6004 -4.4916 -4.4916 -4.3243 -4.3243 0.1889 0.1889 4.1102 4.1102 4.2819 4.2819 6.3843 6.3843 12.2906 12.2906 13.5925 13.5925 16.6366 16.6366 16.9873 16.9873 k = 0.0000 0.4486 0.2598 ( 1532 PWs) bands (ev): -5.4908 -5.4908 -5.3568 -5.3568 -4.6000 -4.6000 -4.4923 -4.4923 -4.3246 -4.3246 0.1618 0.1618 4.1070 4.1070 4.2693 4.2693 6.4569 6.4569 12.2726 12.2726 13.5622 13.5622 16.6706 16.6706 17.0241 17.0241 k = 0.0000 0.4394 0.2598 ( 1532 PWs) bands (ev): -5.4909 -5.4909 -5.3567 -5.3567 -4.5995 -4.5995 -4.4934 -4.4934 -4.3251 -4.3251 0.1249 0.1249 4.0635 4.0635 4.2957 4.2957 6.5525 6.5525 12.2480 12.2480 13.5209 13.5209 16.7174 16.7174 17.0709 17.0709 k = 0.0000 0.4303 0.2598 ( 1536 PWs) bands (ev): -5.4911 -5.4911 -5.3565 -5.3565 -4.5988 -4.5988 -4.4947 -4.4947 -4.3256 -4.3256 0.0791 0.0791 3.9876 3.9876 4.3563 4.3563 6.6670 6.6670 12.2174 12.2174 13.4699 13.4699 16.7762 16.7762 17.1190 17.1190 k = 0.0000 0.4211 0.2598 ( 1536 PWs) bands (ev): -5.4914 -5.4914 -5.3563 -5.3563 -4.5979 -4.5979 -4.4964 -4.4964 -4.3262 -4.3262 0.0252 0.0252 3.8947 3.8947 4.4383 4.4383 6.7968 6.7968 12.1815 12.1815 13.4103 13.4103 16.8455 16.8455 17.1510 17.1510 k = 0.0000 0.4119 0.2598 ( 1536 PWs) bands (ev): -5.4917 -5.4917 -5.3560 -5.3560 -4.5969 -4.5969 -4.4983 -4.4983 -4.3268 -4.3268 -0.0355 -0.0355 3.7919 3.7919 4.5363 4.5363 6.9390 6.9390 12.1409 12.1409 13.3434 13.3434 16.9218 16.9218 17.1565 17.1565 k = 0.0000 0.4028 0.2598 ( 1534 PWs) bands (ev): -5.4921 -5.4921 -5.3558 -5.3558 -4.5958 -4.5958 -4.5005 -4.5005 -4.3274 -4.3274 -0.1021 -0.1021 3.6833 3.6833 4.6476 4.6476 7.0910 7.0910 12.0965 12.0965 13.2704 13.2704 16.9932 16.9932 17.1551 17.1551 k = 0.0000 0.3936 0.2598 ( 1534 PWs) bands (ev): -5.4925 -5.4925 -5.3556 -5.3556 -4.5946 -4.5946 -4.5031 -4.5031 -4.3281 -4.3281 -0.1737 -0.1737 3.5710 3.5710 4.7706 4.7706 7.2510 7.2510 12.0491 12.0491 13.1925 13.1925 17.0224 17.0224 17.1940 17.1940 k = 0.0000 0.3845 0.2598 ( 1532 PWs) bands (ev): -5.4930 -5.4930 -5.3554 -5.3554 -4.5933 -4.5933 -4.5058 -4.5058 -4.3287 -4.3287 -0.2492 -0.2492 3.4567 3.4567 4.9041 4.9041 7.4175 7.4175 11.9995 11.9995 13.1105 13.1105 17.0005 17.0005 17.2862 17.2862 k = 0.0000 0.3753 0.2598 ( 1528 PWs) bands (ev): -5.4936 -5.4936 -5.3552 -5.3552 -4.5918 -4.5918 -4.5089 -4.5089 -4.3293 -4.3293 -0.3278 -0.3278 3.3417 3.3417 5.0470 5.0470 7.5892 7.5892 11.9486 11.9486 13.0255 13.0255 16.9586 16.9586 17.4020 17.4020 k = 0.0000 0.3662 0.2598 ( 1524 PWs) bands (ev): -5.4942 -5.4942 -5.3551 -5.3551 -4.5903 -4.5903 -4.5121 -4.5121 -4.3298 -4.3298 -0.4088 -0.4088 3.2266 3.2266 5.1986 5.1986 7.7649 7.7649 11.8973 11.8973 12.9383 12.9383 16.9084 16.9084 17.5305 17.5305 k = 0.0000 0.3570 0.2598 ( 1520 PWs) bands (ev): -5.4949 -5.4949 -5.3551 -5.3551 -4.5887 -4.5887 -4.5156 -4.5156 -4.3302 -4.3302 -0.4915 -0.4915 3.1123 3.1123 5.3579 5.3579 7.9437 7.9437 11.8465 11.8465 12.8495 12.8495 16.8533 16.8533 17.6683 17.6683 k = 0.0000 0.3479 0.2598 ( 1518 PWs) bands (ev): -5.4957 -5.4957 -5.3552 -5.3552 -4.5870 -4.5870 -4.5192 -4.5192 -4.3304 -4.3304 -0.5754 -0.5754 2.9992 2.9992 5.5245 5.5245 8.1245 8.1245 11.7972 11.7972 12.7598 12.7598 16.7949 16.7949 17.8142 17.8142 k = 0.0000 0.3387 0.2598 ( 1518 PWs) bands (ev): -5.4965 -5.4965 -5.3554 -5.3554 -4.5853 -4.5853 -4.5230 -4.5230 -4.3306 -4.3306 -0.6599 -0.6599 2.8876 2.8876 5.6976 5.6976 8.3064 8.3064 11.7504 11.7504 12.6696 12.6696 16.7341 16.7341 17.9671 17.9671 k = 0.0000 0.3296 0.2598 ( 1520 PWs) bands (ev): -5.4974 -5.4974 -5.3557 -5.3557 -4.5836 -4.5836 -4.5269 -4.5269 -4.3305 -4.3305 -0.7446 -0.7446 2.7780 2.7780 5.8769 5.8769 8.4883 8.4883 11.7073 11.7073 12.5795 12.5795 16.6713 16.6713 18.1265 18.1265 k = 0.0000 0.3204 0.2598 ( 1524 PWs) bands (ev): -5.4985 -5.4985 -5.3562 -5.3562 -4.5819 -4.5819 -4.5309 -4.5309 -4.3303 -4.3303 -0.8291 -0.8291 2.6705 2.6705 6.0617 6.0617 8.6687 8.6687 11.6693 11.6693 12.4899 12.4899 16.6073 16.6073 18.2919 18.2919 k = 0.0000 0.3112 0.2598 ( 1528 PWs) bands (ev): -5.4996 -5.4996 -5.3568 -5.3568 -4.5802 -4.5802 -4.5349 -4.5349 -4.3299 -4.3299 -0.9130 -0.9130 2.5654 2.5654 6.2518 6.2518 8.8463 8.8463 11.6380 11.6380 12.4012 12.4012 16.5423 16.5423 18.4629 18.4629 k = 0.0000 0.3021 0.2598 ( 1524 PWs) bands (ev): -5.5008 -5.5008 -5.3577 -5.3577 -4.5785 -4.5785 -4.5389 -4.5389 -4.3293 -4.3293 -0.9961 -0.9961 2.4628 2.4628 6.4467 6.4467 9.0190 9.0190 11.6152 11.6152 12.3137 12.3137 16.4767 16.4767 18.6390 18.6390 k = 0.0000 0.2929 0.2598 ( 1516 PWs) bands (ev): -5.5021 -5.5021 -5.3587 -5.3587 -4.5769 -4.5769 -4.5427 -4.5427 -4.3285 -4.3285 -1.0782 -1.0782 2.3628 2.3628 6.6461 6.6461 9.1846 9.1846 11.6033 11.6033 12.2278 12.2278 16.4109 16.4109 18.8198 18.8198 k = 0.0000 0.2838 0.2598 ( 1512 PWs) bands (ev): -5.5036 -5.5036 -5.3599 -5.3599 -4.5754 -4.5754 -4.5464 -4.5464 -4.3274 -4.3274 -1.1590 -1.1590 2.2655 2.2655 6.8497 6.8497 9.3405 9.3405 11.6048 11.6048 12.1441 12.1441 16.3451 16.3451 19.0049 19.0049 k = 0.0000 0.2746 0.2598 ( 1512 PWs) bands (ev): -5.5051 -5.5051 -5.3614 -5.3614 -4.5741 -4.5741 -4.5498 -4.5498 -4.3262 -4.3262 -1.2383 -1.2383 2.1711 2.1711 7.0571 7.0571 9.4835 9.4835 11.6223 11.6223 12.0631 12.0631 16.2796 16.2796 19.1939 19.1939 k = 0.0000 0.2655 0.2598 ( 1510 PWs) bands (ev): -5.5067 -5.5067 -5.3630 -5.3630 -4.5731 -4.5731 -4.5528 -4.5528 -4.3248 -4.3248 -1.3159 -1.3159 2.0796 2.0796 7.2681 7.2681 9.6107 9.6107 11.6575 11.6575 11.9867 11.9867 16.2146 16.2146 19.3861 19.3861 k = 0.0000 0.2563 0.2598 ( 1510 PWs) bands (ev): -5.5085 -5.5085 -5.3649 -5.3649 -4.5725 -4.5725 -4.5553 -4.5553 -4.3232 -4.3232 -1.3918 -1.3918 1.9911 1.9911 7.4823 7.4823 9.7192 9.7192 11.7077 11.7077 11.9203 11.9203 16.1504 16.1504 19.5800 19.5800 k = 0.0000 0.2472 0.2598 ( 1514 PWs) bands (ev): -5.5104 -5.5104 -5.3670 -5.3670 -4.5726 -4.5726 -4.5569 -4.5569 -4.3214 -4.3214 -1.4658 -1.4658 1.9055 1.9055 7.6993 7.6993 9.8076 9.8076 11.7444 11.7444 11.8946 11.8946 16.0872 16.0872 19.7403 19.7403 k = 0.0000 0.2380 0.2598 ( 1514 PWs) bands (ev): -5.5124 -5.5124 -5.3693 -5.3693 -4.5733 -4.5733 -4.5578 -4.5578 -4.3194 -4.3194 -1.5377 -1.5377 1.8231 1.8231 7.9188 7.9188 9.8756 9.8756 11.7141 11.7141 11.9636 11.9636 16.0251 16.0251 19.7569 19.7569 k = 0.0000 0.2289 0.2598 ( 1510 PWs) bands (ev): -5.5146 -5.5146 -5.3717 -5.3717 -4.5745 -4.5745 -4.5578 -4.5578 -4.3172 -4.3172 -1.6075 -1.6075 1.7437 1.7437 8.1403 8.1403 9.9246 9.9246 11.6547 11.6547 12.0881 12.0881 15.9644 15.9644 19.7508 19.7508 k = 0.0000 0.2197 0.2598 ( 1510 PWs) bands (ev): -5.5169 -5.5169 -5.3744 -5.3744 -4.5760 -4.5760 -4.5574 -4.5574 -4.3149 -4.3149 -1.6752 -1.6752 1.6674 1.6674 8.3632 8.3632 9.9571 9.9571 11.5916 11.5916 12.2408 12.2408 15.9051 15.9051 19.7296 19.7296 k = 0.0000 0.2106 0.2598 ( 1514 PWs) bands (ev): -5.5193 -5.5193 -5.3771 -5.3771 -4.5776 -4.5776 -4.5567 -4.5567 -4.3125 -4.3125 -1.7405 -1.7405 1.5942 1.5942 8.5867 8.5867 9.9765 9.9765 11.5299 11.5299 12.4139 12.4139 15.8474 15.8474 19.6987 19.6987 k = 0.0000 0.2014 0.2598 ( 1514 PWs) bands (ev): -5.5219 -5.5219 -5.3800 -5.3800 -4.5792 -4.5792 -4.5559 -4.5559 -4.3099 -4.3099 -1.8035 -1.8035 1.5241 1.5241 8.8098 8.8098 9.9860 9.9860 11.4713 11.4713 12.6033 12.6033 15.7915 15.7915 19.6614 19.6614 k = 0.0000 0.1922 0.2598 ( 1514 PWs) bands (ev): -5.5245 -5.5245 -5.3830 -5.3830 -4.5805 -4.5805 -4.5550 -4.5550 -4.3072 -4.3072 -1.8640 -1.8640 1.4572 1.4572 9.0306 9.0306 9.9892 9.9892 11.4170 11.4170 12.8057 12.8057 15.7375 15.7375 19.6201 19.6201 k = 0.0000 0.1831 0.2598 ( 1506 PWs) bands (ev): -5.5273 -5.5273 -5.3860 -5.3860 -4.5816 -4.5816 -4.5541 -4.5541 -4.3044 -4.3044 -1.9221 -1.9221 1.3935 1.3935 9.2459 9.2459 9.9904 9.9904 11.3682 11.3682 13.0187 13.0187 15.6854 15.6854 19.5759 19.5759 k = 0.0000 0.1739 0.2598 ( 1506 PWs) bands (ev): -5.5303 -5.5303 -5.3890 -5.3890 -4.5825 -4.5825 -4.5532 -4.5532 -4.3016 -4.3016 -1.9777 -1.9777 1.3329 1.3329 9.4490 9.4490 9.9965 9.9965 11.3264 11.3264 13.2403 13.2403 15.6355 15.6355 19.5295 19.5295 k = 0.0000 0.1648 0.2598 ( 1508 PWs) bands (ev): -5.5333 -5.5333 -5.3921 -5.3921 -4.5832 -4.5832 -4.5523 -4.5523 -4.2987 -4.2987 -2.0307 -2.0307 1.2754 1.2754 9.6236 9.6236 10.0223 10.0223 11.2941 11.2941 13.4689 13.4689 15.5878 15.5878 19.4812 19.4812 k = 0.0000 0.1556 0.2598 ( 1508 PWs) bands (ev): -5.5364 -5.5364 -5.3951 -5.3951 -4.5836 -4.5836 -4.5515 -4.5515 -4.2959 -4.2959 -2.0811 -2.0811 1.2212 1.2212 9.7384 9.7384 10.0963 10.0963 11.2750 11.2750 13.7032 13.7032 15.5424 15.5424 19.4309 19.4309 k = 0.0000 0.1465 0.2598 ( 1508 PWs) bands (ev): -5.5395 -5.5395 -5.3980 -5.3980 -4.5838 -4.5838 -4.5508 -4.5508 -4.2930 -4.2930 -2.1288 -2.1288 1.1700 1.1700 9.7838 9.7838 10.2224 10.2224 11.2756 11.2756 13.9420 13.9420 15.4995 15.4995 19.3784 19.3784 k = 0.0000 0.1373 0.2598 ( 1506 PWs) bands (ev): -5.5427 -5.5427 -5.4009 -5.4009 -4.5839 -4.5839 -4.5501 -4.5501 -4.2901 -4.2901 -2.1739 -2.1739 1.1220 1.1220 9.7915 9.7915 10.3594 10.3594 11.3051 11.3051 14.1844 14.1844 15.4591 15.4591 19.3229 19.3229 k = 0.0000 0.1282 0.2598 ( 1502 PWs) bands (ev): -5.5460 -5.5460 -5.4036 -5.4036 -4.5837 -4.5837 -4.5494 -4.5494 -4.2873 -4.2873 -2.2162 -2.2162 1.0772 1.0772 9.7845 9.7845 10.4738 10.4738 11.3744 11.3744 14.4294 14.4294 15.4213 15.4213 19.2623 19.2623 k = 0.0000 0.1190 0.2598 ( 1502 PWs) bands (ev): -5.5492 -5.5492 -5.4062 -5.4062 -4.5834 -4.5834 -4.5488 -4.5488 -4.2845 -4.2845 -2.2557 -2.2557 1.0355 1.0355 9.7716 9.7716 10.5515 10.5515 11.4884 11.4884 14.6762 14.6762 15.3863 15.3863 19.1934 19.1934 k = 0.0000 0.1099 0.2598 ( 1510 PWs) bands (ev): -5.5523 -5.5523 -5.4086 -5.4086 -4.5829 -4.5829 -4.5483 -4.5483 -4.2819 -4.2819 -2.2925 -2.2925 0.9969 0.9969 9.7562 9.7562 10.5944 10.5944 11.6413 11.6413 14.9237 14.9237 15.3544 15.3544 19.1124 19.1124 k = 0.0000 0.1007 0.2598 ( 1506 PWs) bands (ev): -5.5554 -5.5554 -5.4109 -5.4109 -4.5824 -4.5824 -4.5479 -4.5479 -4.2794 -4.2794 -2.3264 -2.3264 0.9614 0.9614 9.7401 9.7401 10.6126 10.6126 11.8206 11.8206 15.1695 15.1695 15.3269 15.3269 19.0150 19.0150 k = 0.0000 0.0915 0.2598 ( 1504 PWs) bands (ev): -5.5584 -5.5584 -5.4130 -5.4130 -4.5818 -4.5818 -4.5474 -4.5474 -4.2770 -4.2770 -2.3575 -2.3575 0.9290 0.9290 9.7242 9.7242 10.6158 10.6158 12.0145 12.0145 15.2936 15.2936 15.4230 15.4230 18.8974 18.8974 k = 0.0000 0.0824 0.2598 ( 1500 PWs) bands (ev): -5.5612 -5.5612 -5.4149 -5.4149 -4.5811 -4.5811 -4.5471 -4.5471 -4.2747 -4.2747 -2.3857 -2.3857 0.8998 0.8998 9.7089 9.7089 10.6108 10.6108 12.2146 12.2146 15.2729 15.2729 15.6643 15.6643 18.7581 18.7581 k = 0.0000 0.0732 0.2598 ( 1498 PWs) bands (ev): -5.5638 -5.5638 -5.4166 -5.4166 -4.5805 -4.5805 -4.5467 -4.5467 -4.2727 -4.2727 -2.4110 -2.4110 0.8736 0.8736 9.6946 9.6946 10.6015 10.6015 12.4144 12.4144 15.2534 15.2534 15.9031 15.9031 18.5998 18.5998 k = 0.0000 0.0641 0.2598 ( 1494 PWs) bands (ev): -5.5662 -5.5662 -5.4181 -5.4181 -4.5798 -4.5798 -4.5465 -4.5465 -4.2708 -4.2708 -2.4334 -2.4334 0.8506 0.8506 9.6815 9.6815 10.5905 10.5905 12.6088 12.6088 15.2369 15.2369 16.1353 16.1353 18.4292 18.4292 k = 0.0000 0.0549 0.2598 ( 1494 PWs) bands (ev): -5.5683 -5.5683 -5.4195 -5.4195 -4.5792 -4.5792 -4.5462 -4.5462 -4.2691 -4.2691 -2.4529 -2.4529 0.8306 0.8306 9.6700 9.6700 10.5793 10.5793 12.7932 12.7932 15.2238 15.2238 16.3576 16.3576 18.2551 18.2551 k = 0.0000 0.0458 0.2598 ( 1494 PWs) bands (ev): -5.5702 -5.5702 -5.4206 -5.4206 -4.5786 -4.5786 -4.5460 -4.5460 -4.2677 -4.2677 -2.4693 -2.4693 0.8137 0.8137 9.6600 9.6600 10.5687 10.5687 12.9628 12.9628 15.2141 15.2141 16.5656 16.5656 18.0869 18.0869 k = 0.0000 0.0366 0.2598 ( 1490 PWs) bands (ev): -5.5718 -5.5718 -5.4215 -5.4215 -4.5781 -4.5781 -4.5459 -4.5459 -4.2665 -4.2665 -2.4829 -2.4829 0.7999 0.7999 9.6518 9.6518 10.5595 10.5595 13.1124 13.1124 15.2076 15.2076 16.7537 16.7537 17.9331 17.9331 k = 0.0000 0.0275 0.2598 ( 1490 PWs) bands (ev): -5.5730 -5.5730 -5.4222 -5.4222 -4.5777 -4.5777 -4.5457 -4.5457 -4.2656 -4.2656 -2.4934 -2.4934 0.7892 0.7892 9.6453 9.6453 10.5520 10.5520 13.2367 13.2367 15.2039 15.2039 16.9145 16.9145 17.8022 17.8022 k = 0.0000 0.0183 0.2598 ( 1486 PWs) bands (ev): -5.5739 -5.5739 -5.4227 -5.4227 -4.5774 -4.5774 -4.5457 -4.5457 -4.2649 -4.2649 -2.5009 -2.5009 0.7815 0.7815 9.6406 9.6406 10.5464 10.5464 13.3303 13.3303 15.2022 15.2022 17.0394 17.0394 17.7019 17.7019 k = 0.0000 0.0092 0.2598 ( 1478 PWs) bands (ev): -5.5745 -5.5745 -5.4230 -5.4230 -4.5773 -4.5773 -4.5456 -4.5456 -4.2645 -4.2645 -2.5054 -2.5054 0.7769 0.7769 9.6377 9.6377 10.5431 10.5431 13.3887 13.3887 15.2017 15.2017 17.1193 17.1193 17.6386 17.6386 k = 0.0000 0.0000 0.2598 ( 1474 PWs) bands (ev): -5.5747 -5.5747 -5.4231 -5.4231 -4.5772 -4.5772 -4.5456 -4.5456 -4.2644 -4.2644 -2.5069 -2.5069 0.7754 0.7754 9.6368 9.6368 10.5419 10.5419 13.4085 13.4085 15.2017 15.2017 17.1468 17.1468 17.6169 17.6169 k = 0.0000 0.4760-0.0000 ( 1512 PWs) bands (ev): -5.4950 -5.4950 -5.3547 -5.3547 -4.6058 -4.6058 -4.4956 -4.4956 -4.3335 -4.3335 0.0294 0.0294 3.5469 3.5469 6.8797 6.8797 7.1037 7.1037 8.0771 8.0771 11.3740 11.3740 17.1013 17.1013 20.9066 20.9066 k = 0.0000 0.4760 0.0093 ( 1506 PWs) bands (ev): -5.4950 -5.4949 -5.3551 -5.3544 -4.6061 -4.6055 -4.4960 -4.4951 -4.3336 -4.3334 0.0294 0.0303 3.5471 3.5491 6.7615 6.8384 7.1328 7.2365 8.0567 8.0891 11.3822 11.3856 17.1018 17.1019 20.8637 20.8700 k = 0.0000 0.4760 0.0186 ( 1510 PWs) bands (ev): -5.4951 -5.4947 -5.3555 -5.3540 -4.6063 -4.6052 -4.4964 -4.4946 -4.3336 -4.3333 0.0305 0.0323 3.5496 3.5536 6.6147 6.6960 7.2614 7.4021 8.0262 8.0968 11.4098 11.4166 17.1032 17.1034 20.7524 20.7642 k = 0.0000 0.4760 0.0278 ( 1510 PWs) bands (ev): -5.4951 -5.4946 -5.3559 -5.3537 -4.6066 -4.6048 -4.4967 -4.4941 -4.3335 -4.3331 0.0326 0.0353 3.5545 3.5605 6.4646 6.5436 7.3908 7.5757 7.9859 8.1084 11.4561 11.4662 17.1057 17.1060 20.5928 20.6093 k = 0.0000 0.4760 0.0371 ( 1504 PWs) bands (ev): -5.4951 -5.4944 -5.3562 -5.3534 -4.6067 -4.6044 -4.4970 -4.4936 -4.3334 -4.3328 0.0357 0.0392 3.5617 3.5698 6.3156 6.3923 7.4965 7.7494 7.9408 8.1387 11.5199 11.5331 17.1091 17.1095 20.4009 20.4211 k = 0.0000 0.4760 0.0464 ( 1500 PWs) bands (ev): -5.4950 -5.4942 -5.3566 -5.3532 -4.6068 -4.6040 -4.4973 -4.4931 -4.3332 -4.3325 0.0397 0.0440 3.5712 3.5815 6.1693 6.2444 7.5602 7.8428 7.9709 8.2051 11.5998 11.6157 17.1134 17.1138 20.1869 20.2100 k = 0.0000 0.4760 0.0557 ( 1496 PWs) bands (ev): -5.4949 -5.4940 -5.3570 -5.3529 -4.6069 -4.6036 -4.4974 -4.4926 -4.3330 -4.3322 0.0447 0.0498 3.5828 3.5954 6.0263 6.1005 7.5755 7.7884 8.1446 8.3149 11.6940 11.7125 17.1185 17.1190 19.9575 19.9827 k = 0.0000 0.4760 0.0649 ( 1492 PWs) bands (ev): -5.4948 -5.4937 -5.3573 -5.3527 -4.6069 -4.6032 -4.4976 -4.4920 -4.3327 -4.3318 0.0506 0.0564 3.5966 3.6116 5.8872 5.9612 7.5524 7.7146 8.3348 8.4594 11.8008 11.8217 17.1243 17.1248 19.7172 19.7440 k = 0.0000 0.4760 0.0742 ( 1500 PWs) bands (ev): -5.4947 -5.4935 -5.3577 -5.3526 -4.6069 -4.6029 -4.4977 -4.4916 -4.3324 -4.3314 0.0573 0.0637 3.6124 3.6299 5.7524 5.8266 7.5043 7.6338 8.5301 8.6263 11.9186 11.9418 17.1306 17.1312 19.4696 19.4973 k = 0.0000 0.4760 0.0835 ( 1504 PWs) bands (ev): -5.4945 -5.4933 -5.3580 -5.3525 -4.6068 -4.6025 -4.4977 -4.4911 -4.3320 -4.3310 0.0648 0.0717 3.6302 3.6504 5.6221 5.6970 7.4410 7.5484 8.7291 8.8072 12.0459 12.0710 17.1373 17.1379 19.2173 19.2456 k = 0.0000 0.4760 0.0928 ( 1504 PWs) bands (ev): -5.4943 -5.4930 -5.3583 -5.3524 -4.6067 -4.6021 -4.4977 -4.4906 -4.3316 -4.3305 0.0729 0.0804 3.6498 3.6729 5.4965 5.5725 7.3682 7.4600 8.9313 8.9974 12.1809 12.2081 17.1442 17.1447 18.9627 18.9912 k = 0.0000 0.4760 0.1021 ( 1512 PWs) bands (ev): -5.4941 -5.4928 -5.3585 -5.3524 -4.6065 -4.6018 -4.4976 -4.4902 -4.3312 -4.3301 0.0817 0.0895 3.6710 3.6973 5.3759 5.4533 7.2895 7.3699 9.1365 9.1942 12.3224 12.3515 17.1508 17.1512 18.7080 18.7362 k = 0.0000 0.4760 0.1113 ( 1514 PWs) bands (ev): -5.4939 -5.4925 -5.3587 -5.3524 -4.6063 -4.6014 -4.4975 -4.4898 -4.3307 -4.3296 0.0910 0.0991 3.6938 3.7235 5.2604 5.3396 7.2074 7.2789 9.3443 9.3962 12.4688 12.4998 17.1566 17.1569 18.4551 18.4830 k = 0.0000 0.4760 0.1206 ( 1516 PWs) bands (ev): -5.4937 -5.4923 -5.3589 -5.3525 -4.6061 -4.6011 -4.4973 -4.4895 -4.3302 -4.3291 0.1007 0.1090 3.7180 3.7513 5.1502 5.2316 7.1236 7.1881 9.5545 9.6022 12.6186 12.6517 17.1606 17.1607 18.2068 18.2340 k = 0.0000 0.4760 0.1299 ( 1516 PWs) bands (ev): -5.4934 -5.4920 -5.3591 -5.3526 -4.6058 -4.6009 -4.4971 -4.4892 -4.3297 -4.3285 0.1107 0.1191 3.7433 3.7806 5.0455 5.1292 7.0396 7.0983 9.7667 9.8114 12.7704 12.8055 17.1605 17.1608 17.9665 17.9929 k = 0.0000 0.4760 0.1392 ( 1520 PWs) bands (ev): -5.4932 -5.4918 -5.3592 -5.3527 -4.6054 -4.6006 -4.4968 -4.4890 -4.3291 -4.3280 0.1209 0.1293 3.7696 3.8111 4.9465 5.0328 6.9564 7.0102 9.9807 10.0232 12.9222 12.9595 17.1519 17.1528 17.7406 17.7660 k = 0.0000 0.4760 0.1485 ( 1524 PWs) bands (ev): -5.4929 -5.4915 -5.3593 -5.3529 -4.6051 -4.6004 -4.4965 -4.4888 -4.3286 -4.3275 0.1311 0.1394 3.7966 3.8428 4.8532 4.9424 6.8751 6.9246 10.1960 10.2369 13.0720 13.1115 17.1232 17.1242 17.5435 17.5673 k = 0.0000 0.4760 0.1577 ( 1526 PWs) bands (ev): -5.4927 -5.4913 -5.3593 -5.3532 -4.6047 -4.6002 -4.4962 -4.4887 -4.3280 -4.3270 0.1413 0.1493 3.8240 3.8752 4.7659 4.8580 6.7965 6.8421 10.4122 10.4519 13.2171 13.2590 17.0484 17.0491 17.4046 17.4245 k = 0.0000 0.4760 0.1670 ( 1526 PWs) bands (ev): -5.4924 -5.4911 -5.3593 -5.3534 -4.6043 -4.6001 -4.4958 -4.4886 -4.3275 -4.3266 0.1512 0.1590 3.8517 3.9080 4.6847 4.7798 6.7215 6.7633 10.6285 10.6675 13.3542 13.3986 16.9138 16.9174 17.3389 17.3536 k = 0.0000 0.4760 0.1763 ( 1526 PWs) bands (ev): -5.4922 -5.4910 -5.3592 -5.3537 -4.6039 -4.6000 -4.4953 -4.4886 -4.3269 -4.3261 0.1608 0.1681 3.8793 3.9410 4.6097 4.7078 6.6508 6.6890 10.8443 10.8828 13.4790 13.5260 16.7560 16.7601 17.3151 17.3267 k = 0.0000 0.4760 0.1856 ( 1526 PWs) bands (ev): -5.4919 -5.4908 -5.3591 -5.3540 -4.6035 -4.5999 -4.4949 -4.4886 -4.3264 -4.3257 0.1700 0.1767 3.9065 3.9738 4.5410 4.6418 6.5852 6.6198 11.0586 11.0965 13.5864 13.6359 16.6068 16.6096 17.3072 17.3175 k = 0.0000 0.4760 0.1948 ( 1526 PWs) bands (ev): -5.4917 -5.4907 -5.3590 -5.3544 -4.6031 -4.5998 -4.4944 -4.4888 -4.3259 -4.3253 0.1785 0.1846 3.9333 4.0057 4.4790 4.5820 6.5254 6.5564 11.2698 11.3073 13.6704 13.7218 16.4825 16.4834 17.3050 17.3152 k = 0.0000 0.4760 0.2041 ( 1530 PWs) bands (ev): -5.4915 -5.4906 -5.3588 -5.3548 -4.6027 -4.5999 -4.4939 -4.4889 -4.3255 -4.3249 0.1862 0.1917 3.9593 4.0361 4.4240 4.5279 6.4721 6.4992 11.4762 11.5129 13.7252 13.7775 16.3929 16.3939 17.3043 17.3151 k = 0.0000 0.4760 0.2134 ( 1534 PWs) bands (ev): -5.4913 -5.4905 -5.3586 -5.3551 -4.6023 -4.5999 -4.4934 -4.4892 -4.3251 -4.3247 0.1931 0.1978 3.9845 4.0641 4.3766 4.4795 6.4260 6.4492 11.6747 11.7103 13.7474 13.7989 16.3457 16.3480 17.3021 17.3148 k = 0.0000 0.4760 0.2227 ( 1534 PWs) bands (ev): -5.4911 -5.4905 -5.3583 -5.3555 -4.6020 -4.6000 -4.4929 -4.4894 -4.3248 -4.3244 0.1990 0.2028 4.0088 4.0879 4.3380 4.4362 6.3878 6.4067 11.8612 11.8946 13.7379 13.7861 16.3449 16.3474 17.2937 17.3102 k = 0.0000 0.4760 0.2320 ( 1530 PWs) bands (ev): -5.4909 -5.4904 -5.3581 -5.3559 -4.6016 -4.6001 -4.4924 -4.4897 -4.3245 -4.3242 0.2038 0.2067 4.0323 4.1051 4.3104 4.3980 6.3580 6.3724 12.0291 12.0588 13.7041 13.7460 16.3876 16.3894 17.2608 17.2821 k = 0.0000 0.4760 0.2412 ( 1532 PWs) bands (ev): -5.4908 -5.4905 -5.3577 -5.3563 -4.6013 -4.6003 -4.4919 -4.4901 -4.3243 -4.3241 0.2074 0.2094 4.0547 4.1122 4.2970 4.3644 6.3371 6.3468 12.1686 12.1917 13.6602 13.6921 16.4650 16.4656 17.1594 17.1686 k = 0.0000 0.4760 0.2505 ( 1536 PWs) bands (ev): -5.4906 -5.4905 -5.3574 -5.3567 -4.6010 -4.6005 -4.4914 -4.4905 -4.3242 -4.3241 0.2099 0.2108 4.0758 4.1078 4.2987 4.3357 6.3254 6.3303 12.2657 12.2788 13.6254 13.6429 16.5569 16.5572 17.0253 17.0264 k = 0.0000 0.4760 0.2598 ( 1532 PWs) bands (ev): -5.4905 -5.4905 -5.3571 -5.3571 -4.6007 -4.6007 -4.4909 -4.4909 -4.3241 -4.3241 0.2110 0.2110 4.0943 4.0943 4.3129 4.3129 6.3231 6.3231 12.3052 12.3052 13.6174 13.6174 16.6090 16.6090 16.9563 16.9563 k = 0.5000-0.0000 0.2598 ( 1484 PWs) bands (ev): -5.4423 -5.4423 -5.3353 -5.3353 -4.6243 -4.6243 -4.4739 -4.4739 -4.3272 -4.3272 0.7529 0.7529 4.2592 4.2592 4.7005 4.7005 6.9010 6.9010 12.9703 12.9703 14.0086 14.0086 16.1621 16.1621 16.4400 16.4400 k = 0.5000-0.0000 0.2505 ( 1482 PWs) bands (ev): -5.4424 -5.4422 -5.3353 -5.3352 -4.6244 -4.6242 -4.4740 -4.4739 -4.3274 -4.3271 0.7525 0.7526 4.2576 4.2577 4.7035 4.7040 6.9048 6.9049 12.8984 12.9176 14.0562 14.0883 16.1523 16.1685 16.3880 16.3906 k = 0.5000-0.0000 0.2412 ( 1484 PWs) bands (ev): -5.4425 -5.4422 -5.3354 -5.3352 -4.6245 -4.6242 -4.4740 -4.4738 -4.3277 -4.3273 0.7516 0.7518 4.2531 4.2532 4.7130 4.7140 6.9164 6.9166 12.7384 12.7670 14.2039 14.2592 16.1332 16.1577 16.2683 16.2819 k = 0.5000-0.0000 0.2320 ( 1484 PWs) bands (ev): -5.4426 -5.4422 -5.3354 -5.3351 -4.6247 -4.6242 -4.4740 -4.4738 -4.3282 -4.3275 0.7501 0.7504 4.2456 4.2457 4.7292 4.7307 6.9356 6.9358 12.5352 12.5666 14.4026 14.4767 16.0456 16.0500 16.1800 16.2354 k = 0.5000-0.0000 0.2227 ( 1492 PWs) bands (ev): -5.4428 -5.4423 -5.3354 -5.3351 -4.6248 -4.6242 -4.4741 -4.4737 -4.3288 -4.3279 0.7481 0.7485 4.2352 4.2353 4.7521 4.7541 6.9620 6.9624 12.3123 12.3438 14.6235 14.7171 15.8734 15.8738 16.1607 16.2460 k = 0.5000-0.0000 0.2134 ( 1498 PWs) bands (ev): -5.4430 -5.4424 -5.3355 -5.3350 -4.6250 -4.6243 -4.4741 -4.4737 -4.3296 -4.3285 0.7456 0.7461 4.2220 4.2221 4.7820 4.7844 6.9954 6.9958 12.0803 12.1110 14.8519 14.9696 15.6826 15.6844 16.1540 16.2716 k = 0.5000-0.0000 0.2041 ( 1498 PWs) bands (ev): -5.4433 -5.4425 -5.3355 -5.3350 -4.6253 -4.6244 -4.4741 -4.4736 -4.3305 -4.3292 0.7426 0.7432 4.2062 4.2063 4.8188 4.8217 7.0353 7.0358 11.8444 11.8738 15.0783 15.2264 15.4881 15.4939 16.1504 16.3099 k = 0.5000-0.0000 0.1948 ( 1494 PWs) bands (ev): -5.4435 -5.4427 -5.3355 -5.3349 -4.6255 -4.6245 -4.4741 -4.4735 -4.3314 -4.3300 0.7393 0.7399 4.1881 4.1882 4.8626 4.8659 7.0811 7.0817 11.6071 11.6351 15.2801 15.2846 15.3072 15.5065 16.1483 16.3656 k = 0.5000-0.0000 0.1856 ( 1490 PWs) bands (ev): -5.4438 -5.4429 -5.3355 -5.3349 -4.6258 -4.6246 -4.4741 -4.4734 -4.3325 -4.3309 0.7355 0.7362 4.1681 4.1681 4.9133 4.9171 7.1324 7.1330 11.3699 11.3967 15.0968 15.0990 15.4897 15.7697 16.1473 16.4468 k = 0.5000-0.0000 0.1763 ( 1494 PWs) bands (ev): -5.4441 -5.4431 -5.3355 -5.3348 -4.6260 -4.6248 -4.4740 -4.4734 -4.3337 -4.3319 0.7315 0.7322 4.1464 4.1464 4.9709 4.9751 7.1885 7.1892 11.1339 11.1594 14.9073 14.9087 15.6518 16.0388 16.1473 16.5633 k = 0.5000-0.0000 0.1670 ( 1494 PWs) bands (ev): -5.4444 -5.4433 -5.3355 -5.3348 -4.6263 -4.6250 -4.4740 -4.4733 -4.3349 -4.3330 0.7272 0.7280 4.1235 4.1236 5.0352 5.0399 7.2488 7.2496 10.8996 10.9240 14.7208 14.7219 15.7756 16.1466 16.3107 16.7202 k = 0.5000-0.0000 0.1577 ( 1492 PWs) bands (ev): -5.4447 -5.4436 -5.3355 -5.3348 -4.6266 -4.6252 -4.4740 -4.4732 -4.3362 -4.3342 0.7228 0.7236 4.0998 4.0999 5.1062 5.1113 7.3127 7.3135 10.6676 10.6909 14.5383 14.5392 15.8640 16.1474 16.5816 16.9137 k = 0.5000-0.0000 0.1485 ( 1492 PWs) bands (ev): -5.4450 -5.4439 -5.3355 -5.3347 -4.6269 -4.6255 -4.4740 -4.4732 -4.3375 -4.3355 0.7182 0.7190 4.0757 4.0758 5.1837 5.1892 7.3795 7.3804 10.4382 10.4605 14.3605 14.3612 15.9257 16.1484 16.8519 17.1342 k = 0.5000-0.0000 0.1392 ( 1500 PWs) bands (ev): -5.4454 -5.4442 -5.3354 -5.3347 -4.6272 -4.6257 -4.4739 -4.4731 -4.3388 -4.3367 0.7136 0.7144 4.0515 4.0516 5.2676 5.2736 7.4486 7.4495 10.2116 10.2329 14.1880 14.1886 15.9698 16.1497 17.1205 17.3718 k = 0.5000-0.0000 0.1299 ( 1508 PWs) bands (ev): -5.4457 -5.4445 -5.3354 -5.3347 -4.6275 -4.6260 -4.4739 -4.4730 -4.3401 -4.3380 0.7090 0.7098 4.0276 4.0277 5.3577 5.3641 7.5191 7.5201 9.9882 10.0086 14.0213 14.0218 16.0026 16.1511 17.3861 17.6193 k = 0.5000-0.0000 0.1206 ( 1510 PWs) bands (ev): -5.4460 -5.4448 -5.3354 -5.3346 -4.6277 -4.6263 -4.4738 -4.4730 -4.3414 -4.3393 0.7045 0.7053 4.0041 4.0043 5.4539 5.4607 7.5904 7.5914 9.7681 9.7877 13.8610 13.8614 16.0279 16.1526 17.6476 17.8718 k = 0.5000-0.0000 0.1113 ( 1512 PWs) bands (ev): -5.4463 -5.4451 -5.3354 -5.3346 -4.6280 -4.6265 -4.4738 -4.4729 -4.3427 -4.3406 0.7001 0.7009 3.9815 3.9817 5.5561 5.5633 7.6615 7.6626 9.5516 9.5703 13.7077 13.7081 16.0482 16.1541 17.9035 18.1258 k = 0.5000-0.0000 0.1021 ( 1512 PWs) bands (ev): -5.4466 -5.4455 -5.3353 -5.3346 -4.6282 -4.6268 -4.4737 -4.4729 -4.3439 -4.3419 0.6958 0.6966 3.9599 3.9601 5.6641 5.6717 7.7316 7.7328 9.3390 9.3569 13.5620 13.5624 16.0651 16.1556 18.1518 18.3784 k = 0.5000-0.0000 0.0928 ( 1512 PWs) bands (ev): -5.4469 -5.4458 -5.3353 -5.3346 -4.6285 -4.6271 -4.4736 -4.4729 -4.3450 -4.3431 0.6918 0.6926 3.9396 3.9398 5.7777 5.7858 7.7995 7.8009 9.1307 9.1477 13.4248 13.4251 16.0794 16.1570 18.3904 18.6269 k = 0.5000-0.0000 0.0835 ( 1512 PWs) bands (ev): -5.4472 -5.4461 -5.3353 -5.3346 -4.6287 -4.6274 -4.4736 -4.4728 -4.3461 -4.3443 0.6881 0.6888 3.9207 3.9209 5.8968 5.9054 7.8640 7.8657 8.9272 8.9433 13.2967 13.2969 16.0917 16.1581 18.6163 18.8685 k = 0.5000-0.0000 0.0742 ( 1516 PWs) bands (ev): -5.4474 -5.4464 -5.3352 -5.3346 -4.6289 -4.6277 -4.4735 -4.4728 -4.3470 -4.3454 0.6846 0.6853 3.9034 3.9036 6.0213 6.0303 7.9231 7.9252 8.7297 8.7447 13.1785 13.1788 16.1024 16.1591 18.8261 19.1000 k = 0.5000-0.0000 0.0649 ( 1516 PWs) bands (ev): -5.4476 -5.4467 -5.3352 -5.3346 -4.6290 -4.6280 -4.4734 -4.4728 -4.3479 -4.3464 0.6815 0.6821 3.8878 3.8880 6.1510 6.1605 7.9731 7.9762 8.5409 8.5544 13.0712 13.0714 16.1118 16.1598 19.0161 19.3165 k = 0.5000-0.0000 0.0557 ( 1516 PWs) bands (ev): -5.4478 -5.4470 -5.3351 -5.3347 -4.6292 -4.6282 -4.4734 -4.4728 -4.3486 -4.3473 0.6787 0.6792 3.8741 3.8742 6.2858 6.2956 8.0046 8.0098 8.3698 8.3805 12.9756 12.9758 16.1201 16.1601 19.1822 19.5092 k = 0.5000-0.0000 0.0464 ( 1512 PWs) bands (ev): -5.4479 -5.4472 -5.3351 -5.3347 -4.6293 -4.6284 -4.4733 -4.4728 -4.3493 -4.3482 0.6764 0.6768 3.8623 3.8624 6.4252 6.4356 7.9844 7.9951 8.2484 8.2531 12.8928 12.8929 16.1274 16.1600 19.3214 19.6554 k = 0.5000-0.0000 0.0371 ( 1512 PWs) bands (ev): -5.4480 -5.4475 -5.3350 -5.3347 -4.6293 -4.6287 -4.4732 -4.4728 -4.3498 -4.3489 0.6744 0.6748 3.8526 3.8527 6.5691 6.5798 7.8745 7.8889 8.2144 8.2147 12.8234 12.8236 16.1339 16.1594 19.4327 19.7206 k = 0.5000-0.0000 0.0278 ( 1512 PWs) bands (ev): -5.4481 -5.4477 -5.3350 -5.3347 -4.6294 -4.6288 -4.4731 -4.4729 -4.3501 -4.3495 0.6729 0.6732 3.8449 3.8450 6.7167 6.7278 7.7194 7.7339 8.2226 8.2229 12.7685 12.7686 16.1395 16.1584 19.5181 19.7283 k = 0.5000-0.0000 0.0186 ( 1512 PWs) bands (ev): -5.4481 -5.4478 -5.3349 -5.3348 -4.6293 -4.6290 -4.4731 -4.4729 -4.3504 -4.3499 0.6718 0.6720 3.8395 3.8395 6.8664 6.8777 7.5567 7.5703 8.2373 8.2375 12.7287 12.7288 16.1443 16.1568 19.5823 19.7159 k = 0.5000-0.0000 0.0093 ( 1500 PWs) bands (ev): -5.4481 -5.4479 -5.3349 -5.3348 -4.6293 -4.6291 -4.4730 -4.4729 -4.3505 -4.3502 0.6712 0.6713 3.8361 3.8362 7.0120 7.0224 7.4029 7.4144 8.2481 8.2482 12.7046 12.7047 16.1484 16.1546 19.6303 19.6948 k = 0.5000-0.0000-0.0000 ( 1500 PWs) bands (ev): -5.4480 -5.4480 -5.3348 -5.3348 -4.6292 -4.6292 -4.4730 -4.4730 -4.3504 -4.3504 0.6710 0.6710 3.8351 3.8351 7.1060 7.1060 7.3164 7.3164 8.2520 8.2520 12.6966 12.6966 16.1519 16.1519 19.6667 19.6667 k = 0.5000 0.4760-0.0000 ( 1508 PWs) bands (ev): -5.4004 -5.4004 -5.3805 -5.3805 -4.6679 -4.6679 -4.4772 -4.4772 -4.1231 -4.1231 3.6206 3.6206 5.9754 5.9754 6.5372 6.5372 9.6699 9.6699 10.0728 10.0728 11.2117 11.2117 11.5721 11.5721 12.9442 12.9442 k = 0.5000 0.4760 0.0093 ( 1504 PWs) bands (ev): -5.4004 -5.4003 -5.3806 -5.3804 -4.6679 -4.6678 -4.4772 -4.4772 -4.1232 -4.1231 3.6208 3.6211 5.9757 5.9763 6.5379 6.5381 9.6454 9.6754 10.0578 10.0749 11.1911 11.2471 11.5580 11.5967 12.9394 12.9409 k = 0.5000 0.4760 0.0186 ( 1504 PWs) bands (ev): -5.4004 -5.4003 -5.3806 -5.3804 -4.6680 -4.6678 -4.4771 -4.4770 -4.1232 -4.1231 3.6219 3.6226 5.9772 5.9784 6.5402 6.5405 9.6030 9.6604 10.0327 10.0661 11.1820 11.2863 11.5625 11.6341 12.9268 12.9298 k = 0.5000 0.4760 0.0278 ( 1504 PWs) bands (ev): -5.4004 -5.4003 -5.3806 -5.3803 -4.6682 -4.6678 -4.4769 -4.4768 -4.1232 -4.1231 3.6239 3.6248 5.9800 5.9817 6.5441 6.5445 9.5442 9.6237 10.0037 10.0508 11.1734 11.3037 11.6060 11.6910 12.9069 12.9114 k = 0.5000 0.4760 0.0371 ( 1504 PWs) bands (ev): -5.4005 -5.4003 -5.3806 -5.3802 -4.6683 -4.6678 -4.4767 -4.4765 -4.1232 -4.1231 3.6266 3.6279 5.9839 5.9862 6.5495 6.5500 9.4714 9.5658 9.9766 10.0329 11.1553 11.2860 11.6969 11.7723 12.8809 12.8866 k = 0.5000 0.4760 0.0464 ( 1508 PWs) bands (ev): -5.4005 -5.4003 -5.3807 -5.3802 -4.6684 -4.6678 -4.4764 -4.4762 -4.1232 -4.1231 3.6302 3.6317 5.9890 5.9919 6.5564 6.5570 9.3878 9.4903 9.9535 10.0143 11.1236 11.2429 11.8214 11.8778 12.8496 12.8567 k = 0.5000 0.4760 0.0557 ( 1504 PWs) bands (ev): -5.4005 -5.4002 -5.3807 -5.3801 -4.6686 -4.6679 -4.4760 -4.4757 -4.1233 -4.1230 3.6344 3.6363 5.9951 5.9986 6.5647 6.5654 9.2967 9.4025 9.9339 9.9960 11.0786 11.1847 11.9668 12.0040 12.8145 12.8230 k = 0.5000 0.4760 0.0649 ( 1500 PWs) bands (ev): -5.4005 -5.4002 -5.3806 -5.3800 -4.6688 -4.6680 -4.4755 -4.4753 -4.1233 -4.1230 3.6394 3.6415 6.0023 6.0064 6.5744 6.5753 9.2010 9.3070 9.9165 9.9781 11.0228 11.1169 12.1263 12.1462 12.7766 12.7869 k = 0.5000 0.4760 0.0742 ( 1504 PWs) bands (ev): -5.4005 -5.4002 -5.3806 -5.3799 -4.6690 -4.6681 -4.4750 -4.4747 -4.1233 -4.1230 3.6451 3.6474 6.0104 6.0151 6.5855 6.5865 9.1029 9.2076 9.9001 9.9601 10.9588 11.0426 12.2960 12.3002 12.7374 12.7506 k = 0.5000 0.4760 0.0835 ( 1504 PWs) bands (ev): -5.4005 -5.4002 -5.3806 -5.3798 -4.6692 -4.6682 -4.4744 -4.4741 -4.1233 -4.1230 3.6513 3.6539 6.0194 6.0247 6.5977 6.5989 9.0044 9.1069 9.8836 9.9420 10.8891 10.9639 12.4596 12.4731 12.6983 12.7184 k = 0.5000 0.4760 0.0928 ( 1504 PWs) bands (ev): -5.4005 -5.4002 -5.3806 -5.3797 -4.6694 -4.6683 -4.4738 -4.4735 -4.1233 -4.1230 3.6581 3.6608 6.0292 6.0351 6.6111 6.6124 8.9069 9.0066 9.8668 9.9234 10.8155 10.8826 12.5927 12.6364 12.6798 12.7211 k = 0.5000 0.4760 0.1021 ( 1508 PWs) bands (ev): -5.4005 -5.4002 -5.3805 -5.3796 -4.6696 -4.6685 -4.4732 -4.4728 -4.1233 -4.1230 3.6653 3.6682 6.0397 6.0461 6.6255 6.6270 8.8114 8.9081 9.8493 9.9042 10.7397 10.7998 12.6054 12.6157 12.8519 12.8520 k = 0.5000 0.4760 0.1113 ( 1508 PWs) bands (ev): -5.4005 -5.4001 -5.3805 -5.3796 -4.6698 -4.6686 -4.4725 -4.4721 -4.1233 -4.1230 3.6729 3.6759 6.0507 6.0577 6.6408 6.6425 8.7188 8.8123 9.8309 9.8844 10.6631 10.7169 12.5773 12.5799 13.0310 13.0455 k = 0.5000 0.4760 0.1206 ( 1504 PWs) bands (ev): -5.4005 -5.4001 -5.3804 -5.3795 -4.6699 -4.6688 -4.4718 -4.4714 -4.1234 -4.1230 3.6808 3.6838 6.0621 6.0697 6.6568 6.6587 8.6298 8.7200 9.8118 9.8638 10.5867 10.6346 12.5456 12.5458 13.2201 13.2435 k = 0.5000 0.4760 0.1299 ( 1508 PWs) bands (ev): -5.4005 -5.4001 -5.3803 -5.3794 -4.6701 -4.6690 -4.4710 -4.4707 -4.1234 -4.1230 3.6888 3.6919 6.0739 6.0819 6.6734 6.6755 8.5449 8.6316 9.7919 9.8426 10.5116 10.5540 12.5138 12.5153 13.4144 13.4447 k = 0.5000 0.4760 0.1392 ( 1508 PWs) bands (ev): -5.4005 -5.4001 -5.3802 -5.3793 -4.6703 -4.6692 -4.4703 -4.4700 -4.1234 -4.1230 3.6970 3.7000 6.0859 6.0942 6.6905 6.6927 8.4646 8.5475 9.7714 9.8209 10.4386 10.4758 12.4849 12.4871 13.6121 13.6482 k = 0.5000 0.4760 0.1485 ( 1508 PWs) bands (ev): -5.4005 -5.4001 -5.3802 -5.3793 -4.6705 -4.6694 -4.4696 -4.4693 -4.1234 -4.1230 3.7051 3.7081 6.0979 6.1065 6.7077 6.7102 8.3892 8.4682 9.7506 9.7987 10.3685 10.4007 12.4590 12.4616 13.8120 13.8532 k = 0.5000 0.4760 0.1577 ( 1504 PWs) bands (ev): -5.4005 -5.4001 -5.3801 -5.3792 -4.6707 -4.6696 -4.4689 -4.4686 -4.1234 -4.1230 3.7131 3.7161 6.1098 6.1185 6.7249 6.7276 8.3191 8.3939 9.7297 9.7762 10.3020 10.3295 12.4361 12.4390 14.0130 14.0589 k = 0.5000 0.4760 0.1670 ( 1504 PWs) bands (ev): -5.4005 -5.4001 -5.3800 -5.3792 -4.6708 -4.6698 -4.4682 -4.4679 -4.1234 -4.1230 3.7209 3.7238 6.1214 6.1302 6.7419 6.7447 8.2546 8.3249 9.7089 9.7538 10.2397 10.2626 12.4164 12.4192 14.2132 14.2614 k = 0.5000 0.4760 0.1763 ( 1508 PWs) bands (ev): -5.4005 -5.4001 -5.3799 -5.3792 -4.6709 -4.6700 -4.4676 -4.4673 -4.1233 -4.1231 3.7284 3.7311 6.1326 6.1412 6.7584 6.7613 8.1960 8.2612 9.6887 9.7315 10.1820 10.2007 12.3995 12.4024 14.2229 14.2272 k = 0.5000 0.4760 0.1856 ( 1516 PWs) bands (ev): -5.4005 -5.4001 -5.3798 -5.3791 -4.6711 -4.6702 -4.4670 -4.4667 -4.1233 -4.1231 3.7355 3.7379 6.1433 6.1516 6.7742 6.7772 8.1435 8.2033 9.6693 9.7097 10.1294 10.1443 12.3854 12.3882 14.1656 14.1693 k = 0.5000 0.4760 0.1948 ( 1512 PWs) bands (ev): -5.4005 -5.4002 -5.3797 -5.3791 -4.6712 -4.6703 -4.4664 -4.4662 -4.1233 -4.1231 3.7420 3.7442 6.1532 6.1610 6.7890 6.7919 8.0972 8.1511 9.6513 9.6886 10.0824 10.0938 12.3739 12.3765 14.1139 14.1171 k = 0.5000 0.4760 0.2041 ( 1504 PWs) bands (ev): -5.4004 -5.4002 -5.3797 -5.3791 -4.6712 -4.6705 -4.4659 -4.4657 -4.1233 -4.1231 3.7478 3.7498 6.1622 6.1694 6.8026 6.8054 8.0574 8.1049 9.6349 9.6687 10.0412 10.0496 12.3647 12.3670 14.0683 14.0710 k = 0.5000 0.4760 0.2134 ( 1504 PWs) bands (ev): -5.4004 -5.4002 -5.3796 -5.3791 -4.6713 -4.6707 -4.4655 -4.4653 -4.1233 -4.1231 3.7530 3.7547 6.1703 6.1766 6.8147 6.8173 8.0242 8.0648 9.6207 9.6502 10.0060 10.0119 12.3576 12.3596 14.0291 14.0313 k = 0.5000 0.4760 0.2227 ( 1496 PWs) bands (ev): -5.4004 -5.4002 -5.3795 -5.3791 -4.6713 -4.6708 -4.4651 -4.4650 -4.1233 -4.1231 3.7574 3.7588 6.1772 6.1825 6.8250 6.8273 7.9977 8.0309 9.6091 9.6337 9.9771 9.9811 12.3522 12.3539 13.9966 13.9984 k = 0.5000 0.4760 0.2320 ( 1496 PWs) bands (ev): -5.4004 -5.4002 -5.3794 -5.3791 -4.6713 -4.6710 -4.4648 -4.4647 -4.1233 -4.1232 3.7609 3.7620 6.1829 6.1871 6.8334 6.8352 7.9781 8.0034 9.6004 9.6194 9.9545 9.9570 12.3484 12.3497 13.9711 13.9725 k = 0.5000 0.4760 0.2412 ( 1500 PWs) bands (ev): -5.4003 -5.4003 -5.3794 -5.3792 -4.6713 -4.6711 -4.4646 -4.4645 -4.1233 -4.1232 3.7635 3.7642 6.1873 6.1901 6.8397 6.8410 7.9653 7.9823 9.5949 9.6079 9.9383 9.9398 12.3459 12.3468 13.9528 13.9537 k = 0.5000 0.4760 0.2505 ( 1504 PWs) bands (ev): -5.4003 -5.4003 -5.3793 -5.3792 -4.6713 -4.6712 -4.4645 -4.4644 -4.1232 -4.1232 3.7652 3.7655 6.1902 6.1917 6.8436 6.8443 7.9593 7.9679 9.5929 9.5995 9.9287 9.9294 12.3446 12.3450 13.9418 13.9423 k = 0.5000 0.4760 0.2598 ( 1504 PWs) bands (ev): -5.4003 -5.4003 -5.3793 -5.3793 -4.6712 -4.6712 -4.4644 -4.4644 -4.1232 -4.1232 3.7659 3.7659 6.1917 6.1917 6.8452 6.8452 7.9602 7.9602 9.5944 9.5944 9.9257 9.9257 12.3443 12.3443 13.9383 13.9383 Writing output data file InSb.save init_run : 0.26s CPU 0.60s WALL ( 1 calls) electrons : 112.91s CPU 114.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 112.90s CPU 114.60s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.06s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 548 calls) cegterg : 106.87s CPU 108.14s WALL ( 1058 calls) Called by sum_band: Called by *egterg: h_psi : 63.65s CPU 70.82s WALL ( 16074 calls) s_psi : 5.17s CPU 5.30s WALL ( 16074 calls) g_psi : 0.11s CPU 0.13s WALL ( 14468 calls) cdiaghg : 27.69s CPU 27.85s WALL ( 15016 calls) cegterg:over : 3.87s CPU 3.71s WALL ( 14468 calls) cegterg:upda : 1.17s CPU 1.20s WALL ( 14468 calls) cegterg:last : 0.71s CPU 0.87s WALL ( 2722 calls) Called by h_psi: h_psi:vloc : 58.20s CPU 65.10s WALL ( 16074 calls) h_psi:vnl : 5.43s CPU 5.62s WALL ( 16074 calls) add_vuspsi : 2.86s CPU 3.11s WALL ( 16074 calls) General routines calbec : 2.53s CPU 2.47s WALL ( 16074 calls) fft : 0.01s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 56.63s CPU 63.02s WALL ( 883600 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.21s CPU 0.14s WALL ( 1096 calls) Parallel routines fft_scatter : 42.63s CPU 47.20s WALL ( 883623 calls) PWSCF : 2m 9.02s CPU 2m15.18s WALL This run was terminated on: 14:28:50 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=