Program PWSCF v.5.1.1 starts on 19Jul2015 at 16:18: 1 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./FeS2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 16 4 709 476 76 Max 22 17 5 713 493 85 Sum 1015 779 237 34165 23227 3925 bravais-lattice index = 14 lattice parameter (alat) = 6.4007 a.u. unit-cell volume = 550.8969 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.400691 celldm(2)= 1.311771 celldm(3)= 1.601518 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 1.311771 0.000000 ) a(3) = ( 0.000000 0.000000 1.601518 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.762328 -0.000000 ) b(3) = ( 0.000000 0.000000 0.624408 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Fe 8.00 55.84500 Fe( 1.00) 4 Sym. Ops., with inversion, found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,0,0] 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 inversion 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_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 460 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0106383 -0.0000000 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0212766 -0.0000000 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0319149 -0.0000000 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0425532 -0.0000000 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0531915 -0.0000000 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0638298 -0.0000000 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0744681 -0.0000000 -0.0000000), wk = 0.0021739 k( 9) = ( 0.0851064 -0.0000000 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0957447 -0.0000000 -0.0000000), wk = 0.0021739 k( 11) = ( 0.1063830 -0.0000000 -0.0000000), wk = 0.0021739 k( 12) = ( 0.1170213 -0.0000000 -0.0000000), wk = 0.0021739 k( 13) = ( 0.1276596 -0.0000000 -0.0000000), wk = 0.0021739 k( 14) = ( 0.1382979 -0.0000000 -0.0000000), wk = 0.0021739 k( 15) = ( 0.1489362 -0.0000000 -0.0000000), wk = 0.0021739 k( 16) = ( 0.1595745 -0.0000000 -0.0000000), wk = 0.0021739 k( 17) = ( 0.1702128 -0.0000000 -0.0000000), wk = 0.0021739 k( 18) = ( 0.1808511 -0.0000000 -0.0000000), wk = 0.0021739 k( 19) = ( 0.1914894 -0.0000000 -0.0000000), wk = 0.0021739 k( 20) = ( 0.2021277 -0.0000000 -0.0000000), wk = 0.0021739 k( 21) = ( 0.2127660 -0.0000000 -0.0000000), wk = 0.0021739 k( 22) = ( 0.2234043 -0.0000000 -0.0000000), wk = 0.0021739 k( 23) = ( 0.2340425 -0.0000000 -0.0000000), wk = 0.0021739 k( 24) = ( 0.2446809 -0.0000000 -0.0000000), wk = 0.0021739 k( 25) = ( 0.2553191 -0.0000000 -0.0000000), wk = 0.0021739 k( 26) = ( 0.2659574 -0.0000000 -0.0000000), wk = 0.0021739 k( 27) = ( 0.2765957 -0.0000000 -0.0000000), wk = 0.0021739 k( 28) = ( 0.2872340 -0.0000000 -0.0000000), wk = 0.0021739 k( 29) = ( 0.2978723 -0.0000000 -0.0000000), wk = 0.0021739 k( 30) = ( 0.3085106 -0.0000000 -0.0000000), wk = 0.0021739 k( 31) = ( 0.3191489 -0.0000000 -0.0000000), wk = 0.0021739 k( 32) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0021739 k( 33) = ( 0.3404255 -0.0000000 -0.0000000), wk = 0.0021739 k( 34) = ( 0.3510638 -0.0000000 -0.0000000), wk = 0.0021739 k( 35) = ( 0.3617021 -0.0000000 -0.0000000), wk = 0.0021739 k( 36) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0021739 k( 37) = ( 0.3829787 -0.0000000 -0.0000000), wk = 0.0021739 k( 38) = ( 0.3936170 -0.0000000 -0.0000000), wk = 0.0021739 k( 39) = ( 0.4042553 -0.0000000 -0.0000000), wk = 0.0021739 k( 40) = ( 0.4148936 -0.0000000 -0.0000000), wk = 0.0021739 k( 41) = ( 0.4255319 -0.0000000 -0.0000000), wk = 0.0021739 k( 42) = ( 0.4361702 -0.0000000 -0.0000000), wk = 0.0021739 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0021739 k( 44) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0021739 k( 45) = ( 0.4680851 -0.0000000 -0.0000000), wk = 0.0021739 k( 46) = ( 0.4787234 -0.0000000 -0.0000000), wk = 0.0021739 k( 47) = ( 0.4893617 -0.0000000 -0.0000000), wk = 0.0021739 k( 48) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 49) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 50) = ( 0.5000000 0.0105879 -0.0000000), wk = 0.0021739 k( 51) = ( 0.5000000 0.0211758 -0.0000000), wk = 0.0021739 k( 52) = ( 0.5000000 0.0317637 -0.0000000), wk = 0.0021739 k( 53) = ( 0.5000000 0.0423516 -0.0000000), wk = 0.0021739 k( 54) = ( 0.5000000 0.0529394 -0.0000000), wk = 0.0021739 k( 55) = ( 0.5000000 0.0635273 -0.0000000), wk = 0.0021739 k( 56) = ( 0.5000000 0.0741152 -0.0000000), wk = 0.0021739 k( 57) = ( 0.5000000 0.0847031 -0.0000000), wk = 0.0021739 k( 58) = ( 0.5000000 0.0952910 -0.0000000), wk = 0.0021739 k( 59) = ( 0.5000000 0.1058789 -0.0000000), wk = 0.0021739 k( 60) = ( 0.5000000 0.1164668 -0.0000000), wk = 0.0021739 k( 61) = ( 0.5000000 0.1270547 -0.0000000), wk = 0.0021739 k( 62) = ( 0.5000000 0.1376426 -0.0000000), wk = 0.0021739 k( 63) = ( 0.5000000 0.1482305 -0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.1588184 -0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.1694062 -0.0000000), wk = 0.0021739 k( 66) = ( 0.5000000 0.1799941 -0.0000000), wk = 0.0021739 k( 67) = ( 0.5000000 0.1905820 -0.0000000), wk = 0.0021739 k( 68) = ( 0.5000000 0.2011699 -0.0000000), wk = 0.0021739 k( 69) = ( 0.5000000 0.2117578 -0.0000000), wk = 0.0021739 k( 70) = ( 0.5000000 0.2223457 -0.0000000), wk = 0.0021739 k( 71) = ( 0.5000000 0.2329336 -0.0000000), wk = 0.0021739 k( 72) = ( 0.5000000 0.2435215 -0.0000000), wk = 0.0021739 k( 73) = ( 0.5000000 0.2541094 -0.0000000), wk = 0.0021739 k( 74) = ( 0.5000000 0.2646973 -0.0000000), wk = 0.0021739 k( 75) = ( 0.5000000 0.2752851 -0.0000000), wk = 0.0021739 k( 76) = ( 0.5000000 0.2858730 -0.0000000), wk = 0.0021739 k( 77) = ( 0.5000000 0.2964609 -0.0000000), wk = 0.0021739 k( 78) = ( 0.5000000 0.3070488 -0.0000000), wk = 0.0021739 k( 79) = ( 0.5000000 0.3176367 -0.0000000), wk = 0.0021739 k( 80) = ( 0.5000000 0.3282246 -0.0000000), wk = 0.0021739 k( 81) = ( 0.5000000 0.3388125 -0.0000000), wk = 0.0021739 k( 82) = ( 0.5000000 0.3494004 -0.0000000), wk = 0.0021739 k( 83) = ( 0.5000000 0.3599883 -0.0000000), wk = 0.0021739 k( 84) = ( 0.5000000 0.3705762 -0.0000000), wk = 0.0021739 k( 85) = ( 0.5000000 0.3811641 -0.0000000), wk = 0.0021739 k( 86) = ( 0.5000000 0.3811641 -0.0000000), wk = 0.0021739 k( 87) = ( 0.4893617 0.3811641 -0.0000000), wk = 0.0021739 k( 88) = ( 0.4787234 0.3811641 -0.0000000), wk = 0.0021739 k( 89) = ( 0.4680851 0.3811641 -0.0000000), wk = 0.0021739 k( 90) = ( 0.4574468 0.3811641 -0.0000000), wk = 0.0021739 k( 91) = ( 0.4468085 0.3811641 -0.0000000), wk = 0.0021739 k( 92) = ( 0.4361702 0.3811641 -0.0000000), wk = 0.0021739 k( 93) = ( 0.4255319 0.3811641 -0.0000000), wk = 0.0021739 k( 94) = ( 0.4148936 0.3811641 -0.0000000), wk = 0.0021739 k( 95) = ( 0.4042553 0.3811641 -0.0000000), wk = 0.0021739 k( 96) = ( 0.3936170 0.3811641 -0.0000000), wk = 0.0021739 k( 97) = ( 0.3829787 0.3811641 -0.0000000), wk = 0.0021739 k( 98) = ( 0.3723404 0.3811641 -0.0000000), wk = 0.0021739 k( 99) = ( 0.3617021 0.3811641 -0.0000000), wk = 0.0021739 k( 100) = ( 0.3510638 0.3811641 -0.0000000), wk = 0.0021739 k( 101) = ( 0.3404255 0.3811641 -0.0000000), wk = 0.0021739 k( 102) = ( 0.3297872 0.3811641 -0.0000000), wk = 0.0021739 k( 103) = ( 0.3191489 0.3811641 -0.0000000), wk = 0.0021739 k( 104) = ( 0.3085106 0.3811641 -0.0000000), wk = 0.0021739 k( 105) = ( 0.2978723 0.3811641 -0.0000000), wk = 0.0021739 k( 106) = ( 0.2872340 0.3811641 -0.0000000), wk = 0.0021739 k( 107) = ( 0.2765957 0.3811641 -0.0000000), wk = 0.0021739 k( 108) = ( 0.2659574 0.3811641 -0.0000000), wk = 0.0021739 k( 109) = ( 0.2553191 0.3811641 -0.0000000), wk = 0.0021739 k( 110) = ( 0.2446809 0.3811641 -0.0000000), wk = 0.0021739 k( 111) = ( 0.2340425 0.3811641 -0.0000000), wk = 0.0021739 k( 112) = ( 0.2234043 0.3811641 -0.0000000), wk = 0.0021739 k( 113) = ( 0.2127660 0.3811641 -0.0000000), wk = 0.0021739 k( 114) = ( 0.2021277 0.3811641 -0.0000000), wk = 0.0021739 k( 115) = ( 0.1914894 0.3811641 -0.0000000), wk = 0.0021739 k( 116) = ( 0.1808511 0.3811641 -0.0000000), wk = 0.0021739 k( 117) = ( 0.1702128 0.3811641 -0.0000000), wk = 0.0021739 k( 118) = ( 0.1595745 0.3811641 -0.0000000), wk = 0.0021739 k( 119) = ( 0.1489362 0.3811641 -0.0000000), wk = 0.0021739 k( 120) = ( 0.1382979 0.3811641 -0.0000000), wk = 0.0021739 k( 121) = ( 0.1276596 0.3811641 -0.0000000), wk = 0.0021739 k( 122) = ( 0.1170213 0.3811641 -0.0000000), wk = 0.0021739 k( 123) = ( 0.1063830 0.3811641 -0.0000000), wk = 0.0021739 k( 124) = ( 0.0957447 0.3811641 -0.0000000), wk = 0.0021739 k( 125) = ( 0.0851064 0.3811641 -0.0000000), wk = 0.0021739 k( 126) = ( 0.0744681 0.3811641 -0.0000000), wk = 0.0021739 k( 127) = ( 0.0638298 0.3811641 -0.0000000), wk = 0.0021739 k( 128) = ( 0.0531915 0.3811641 -0.0000000), wk = 0.0021739 k( 129) = ( 0.0425532 0.3811641 -0.0000000), wk = 0.0021739 k( 130) = ( 0.0319149 0.3811641 -0.0000000), wk = 0.0021739 k( 131) = ( 0.0212766 0.3811641 -0.0000000), wk = 0.0021739 k( 132) = ( 0.0106383 0.3811641 -0.0000000), wk = 0.0021739 k( 133) = ( 0.0000000 0.3811641 -0.0000000), wk = 0.0021739 k( 134) = ( 0.0000000 0.3811641 -0.0000000), wk = 0.0021739 k( 135) = ( 0.0000000 0.3705762 -0.0000000), wk = 0.0021739 k( 136) = ( 0.0000000 0.3599883 -0.0000000), wk = 0.0021739 k( 137) = ( 0.0000000 0.3494004 -0.0000000), wk = 0.0021739 k( 138) = ( 0.0000000 0.3388125 -0.0000000), wk = 0.0021739 k( 139) = ( 0.0000000 0.3282246 -0.0000000), wk = 0.0021739 k( 140) = ( 0.0000000 0.3176367 -0.0000000), wk = 0.0021739 k( 141) = ( 0.0000000 0.3070488 -0.0000000), wk = 0.0021739 k( 142) = ( 0.0000000 0.2964609 -0.0000000), wk = 0.0021739 k( 143) = ( 0.0000000 0.2858730 -0.0000000), wk = 0.0021739 k( 144) = ( 0.0000000 0.2752851 -0.0000000), wk = 0.0021739 k( 145) = ( 0.0000000 0.2646973 -0.0000000), wk = 0.0021739 k( 146) = ( 0.0000000 0.2541094 -0.0000000), wk = 0.0021739 k( 147) = ( 0.0000000 0.2435215 -0.0000000), wk = 0.0021739 k( 148) = ( 0.0000000 0.2329336 -0.0000000), wk = 0.0021739 k( 149) = ( 0.0000000 0.2223457 -0.0000000), wk = 0.0021739 k( 150) = ( 0.0000000 0.2117578 -0.0000000), wk = 0.0021739 k( 151) = ( 0.0000000 0.2011699 -0.0000000), wk = 0.0021739 k( 152) = ( 0.0000000 0.1905820 -0.0000000), wk = 0.0021739 k( 153) = ( 0.0000000 0.1799941 -0.0000000), wk = 0.0021739 k( 154) = ( 0.0000000 0.1694062 -0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.1588184 -0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.1482305 -0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.1376426 -0.0000000), wk = 0.0021739 k( 158) = ( 0.0000000 0.1270547 -0.0000000), wk = 0.0021739 k( 159) = ( 0.0000000 0.1164668 -0.0000000), wk = 0.0021739 k( 160) = ( 0.0000000 0.1058789 -0.0000000), wk = 0.0021739 k( 161) = ( 0.0000000 0.0952910 -0.0000000), wk = 0.0021739 k( 162) = ( 0.0000000 0.0847031 -0.0000000), wk = 0.0021739 k( 163) = ( 0.0000000 0.0741152 -0.0000000), wk = 0.0021739 k( 164) = ( 0.0000000 0.0635273 -0.0000000), wk = 0.0021739 k( 165) = ( 0.0000000 0.0529394 -0.0000000), wk = 0.0021739 k( 166) = ( 0.0000000 0.0423516 -0.0000000), wk = 0.0021739 k( 167) = ( 0.0000000 0.0317637 -0.0000000), wk = 0.0021739 k( 168) = ( 0.0000000 0.0211758 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0000000 0.0105879 -0.0000000), wk = 0.0021739 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 172) = ( 0.0000000 0.0000000 0.0107657), wk = 0.0021739 k( 173) = ( 0.0000000 0.0000000 0.0215313), wk = 0.0021739 k( 174) = ( 0.0000000 0.0000000 0.0322970), wk = 0.0021739 k( 175) = ( 0.0000000 0.0000000 0.0430626), wk = 0.0021739 k( 176) = ( 0.0000000 0.0000000 0.0538283), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.0645939), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.0753596), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.0861252), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.0968909), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.1076565), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.1184222), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.1291878), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.1399535), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.1507191), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.1614848), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.1722504), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.1830161), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.1937817), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.2045474), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.2153130), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.2260787), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.2368443), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.2476100), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.2583756), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.2691413), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.2799069), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.2906726), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.3014382), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.3122039), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.3122039), wk = 0.0021739 k( 202) = ( 0.0106383 -0.0000000 0.3122039), wk = 0.0021739 k( 203) = ( 0.0212766 -0.0000000 0.3122039), wk = 0.0021739 k( 204) = ( 0.0319149 -0.0000000 0.3122039), wk = 0.0021739 k( 205) = ( 0.0425532 -0.0000000 0.3122039), wk = 0.0021739 k( 206) = ( 0.0531915 -0.0000000 0.3122039), wk = 0.0021739 k( 207) = ( 0.0638298 -0.0000000 0.3122039), wk = 0.0021739 k( 208) = ( 0.0744681 -0.0000000 0.3122039), wk = 0.0021739 k( 209) = ( 0.0851064 -0.0000000 0.3122039), wk = 0.0021739 k( 210) = ( 0.0957447 -0.0000000 0.3122039), wk = 0.0021739 k( 211) = ( 0.1063830 -0.0000000 0.3122039), wk = 0.0021739 k( 212) = ( 0.1170213 -0.0000000 0.3122039), wk = 0.0021739 k( 213) = ( 0.1276596 -0.0000000 0.3122039), wk = 0.0021739 k( 214) = ( 0.1382979 -0.0000000 0.3122039), wk = 0.0021739 k( 215) = ( 0.1489362 -0.0000000 0.3122039), wk = 0.0021739 k( 216) = ( 0.1595745 -0.0000000 0.3122039), wk = 0.0021739 k( 217) = ( 0.1702128 -0.0000000 0.3122039), wk = 0.0021739 k( 218) = ( 0.1808511 -0.0000000 0.3122039), wk = 0.0021739 k( 219) = ( 0.1914894 -0.0000000 0.3122039), wk = 0.0021739 k( 220) = ( 0.2021277 -0.0000000 0.3122039), wk = 0.0021739 k( 221) = ( 0.2127660 -0.0000000 0.3122039), wk = 0.0021739 k( 222) = ( 0.2234043 -0.0000000 0.3122039), wk = 0.0021739 k( 223) = ( 0.2340425 -0.0000000 0.3122039), wk = 0.0021739 k( 224) = ( 0.2446809 -0.0000000 0.3122039), wk = 0.0021739 k( 225) = ( 0.2553191 -0.0000000 0.3122039), wk = 0.0021739 k( 226) = ( 0.2659574 -0.0000000 0.3122039), wk = 0.0021739 k( 227) = ( 0.2765957 -0.0000000 0.3122039), wk = 0.0021739 k( 228) = ( 0.2872340 -0.0000000 0.3122039), wk = 0.0021739 k( 229) = ( 0.2978723 -0.0000000 0.3122039), wk = 0.0021739 k( 230) = ( 0.3085106 -0.0000000 0.3122039), wk = 0.0021739 k( 231) = ( 0.3191489 -0.0000000 0.3122039), wk = 0.0021739 k( 232) = ( 0.3297872 -0.0000000 0.3122039), wk = 0.0021739 k( 233) = ( 0.3404255 -0.0000000 0.3122039), wk = 0.0021739 k( 234) = ( 0.3510638 -0.0000000 0.3122039), wk = 0.0021739 k( 235) = ( 0.3617021 -0.0000000 0.3122039), wk = 0.0021739 k( 236) = ( 0.3723404 -0.0000000 0.3122039), wk = 0.0021739 k( 237) = ( 0.3829787 -0.0000000 0.3122039), wk = 0.0021739 k( 238) = ( 0.3936170 -0.0000000 0.3122039), wk = 0.0021739 k( 239) = ( 0.4042553 -0.0000000 0.3122039), wk = 0.0021739 k( 240) = ( 0.4148936 -0.0000000 0.3122039), wk = 0.0021739 k( 241) = ( 0.4255319 -0.0000000 0.3122039), wk = 0.0021739 k( 242) = ( 0.4361702 -0.0000000 0.3122039), wk = 0.0021739 k( 243) = ( 0.4468085 -0.0000000 0.3122039), wk = 0.0021739 k( 244) = ( 0.4574468 -0.0000000 0.3122039), wk = 0.0021739 k( 245) = ( 0.4680851 -0.0000000 0.3122039), wk = 0.0021739 k( 246) = ( 0.4787234 -0.0000000 0.3122039), wk = 0.0021739 k( 247) = ( 0.4893617 -0.0000000 0.3122039), wk = 0.0021739 k( 248) = ( 0.5000000 -0.0000000 0.3122039), wk = 0.0021739 k( 249) = ( 0.5000000 -0.0000000 0.3122039), wk = 0.0021739 k( 250) = ( 0.5000000 0.0105879 0.3122039), wk = 0.0021739 k( 251) = ( 0.5000000 0.0211758 0.3122039), wk = 0.0021739 k( 252) = ( 0.5000000 0.0317637 0.3122039), wk = 0.0021739 k( 253) = ( 0.5000000 0.0423516 0.3122039), wk = 0.0021739 k( 254) = ( 0.5000000 0.0529394 0.3122039), wk = 0.0021739 k( 255) = ( 0.5000000 0.0635273 0.3122039), wk = 0.0021739 k( 256) = ( 0.5000000 0.0741152 0.3122039), wk = 0.0021739 k( 257) = ( 0.5000000 0.0847031 0.3122039), wk = 0.0021739 k( 258) = ( 0.5000000 0.0952910 0.3122039), wk = 0.0021739 k( 259) = ( 0.5000000 0.1058789 0.3122039), wk = 0.0021739 k( 260) = ( 0.5000000 0.1164668 0.3122039), wk = 0.0021739 k( 261) = ( 0.5000000 0.1270547 0.3122039), wk = 0.0021739 k( 262) = ( 0.5000000 0.1376426 0.3122039), wk = 0.0021739 k( 263) = ( 0.5000000 0.1482305 0.3122039), wk = 0.0021739 k( 264) = ( 0.5000000 0.1588184 0.3122039), wk = 0.0021739 k( 265) = ( 0.5000000 0.1694062 0.3122039), wk = 0.0021739 k( 266) = ( 0.5000000 0.1799941 0.3122039), wk = 0.0021739 k( 267) = ( 0.5000000 0.1905820 0.3122039), wk = 0.0021739 k( 268) = ( 0.5000000 0.2011699 0.3122039), wk = 0.0021739 k( 269) = ( 0.5000000 0.2117578 0.3122039), wk = 0.0021739 k( 270) = ( 0.5000000 0.2223457 0.3122039), wk = 0.0021739 k( 271) = ( 0.5000000 0.2329336 0.3122039), wk = 0.0021739 k( 272) = ( 0.5000000 0.2435215 0.3122039), wk = 0.0021739 k( 273) = ( 0.5000000 0.2541094 0.3122039), wk = 0.0021739 k( 274) = ( 0.5000000 0.2646973 0.3122039), wk = 0.0021739 k( 275) = ( 0.5000000 0.2752851 0.3122039), wk = 0.0021739 k( 276) = ( 0.5000000 0.2858730 0.3122039), wk = 0.0021739 k( 277) = ( 0.5000000 0.2964609 0.3122039), wk = 0.0021739 k( 278) = ( 0.5000000 0.3070488 0.3122039), wk = 0.0021739 k( 279) = ( 0.5000000 0.3176367 0.3122039), wk = 0.0021739 k( 280) = ( 0.5000000 0.3282246 0.3122039), wk = 0.0021739 k( 281) = ( 0.5000000 0.3388125 0.3122039), wk = 0.0021739 k( 282) = ( 0.5000000 0.3494004 0.3122039), wk = 0.0021739 k( 283) = ( 0.5000000 0.3599883 0.3122039), wk = 0.0021739 k( 284) = ( 0.5000000 0.3705762 0.3122039), wk = 0.0021739 k( 285) = ( 0.5000000 0.3811641 0.3122039), wk = 0.0021739 k( 286) = ( 0.5000000 0.3811641 0.3122039), wk = 0.0021739 k( 287) = ( 0.4893617 0.3811641 0.3122039), wk = 0.0021739 k( 288) = ( 0.4787234 0.3811641 0.3122039), wk = 0.0021739 k( 289) = ( 0.4680851 0.3811641 0.3122039), wk = 0.0021739 k( 290) = ( 0.4574468 0.3811641 0.3122039), wk = 0.0021739 k( 291) = ( 0.4468085 0.3811641 0.3122039), wk = 0.0021739 k( 292) = ( 0.4361702 0.3811641 0.3122039), wk = 0.0021739 k( 293) = ( 0.4255319 0.3811641 0.3122039), wk = 0.0021739 k( 294) = ( 0.4148936 0.3811641 0.3122039), wk = 0.0021739 k( 295) = ( 0.4042553 0.3811641 0.3122039), wk = 0.0021739 k( 296) = ( 0.3936170 0.3811641 0.3122039), wk = 0.0021739 k( 297) = ( 0.3829787 0.3811641 0.3122039), wk = 0.0021739 k( 298) = ( 0.3723404 0.3811641 0.3122039), wk = 0.0021739 k( 299) = ( 0.3617021 0.3811641 0.3122039), wk = 0.0021739 k( 300) = ( 0.3510638 0.3811641 0.3122039), wk = 0.0021739 k( 301) = ( 0.3404255 0.3811641 0.3122039), wk = 0.0021739 k( 302) = ( 0.3297872 0.3811641 0.3122039), wk = 0.0021739 k( 303) = ( 0.3191489 0.3811641 0.3122039), wk = 0.0021739 k( 304) = ( 0.3085106 0.3811641 0.3122039), wk = 0.0021739 k( 305) = ( 0.2978723 0.3811641 0.3122039), wk = 0.0021739 k( 306) = ( 0.2872340 0.3811641 0.3122039), wk = 0.0021739 k( 307) = ( 0.2765957 0.3811641 0.3122039), wk = 0.0021739 k( 308) = ( 0.2659574 0.3811641 0.3122039), wk = 0.0021739 k( 309) = ( 0.2553191 0.3811641 0.3122039), wk = 0.0021739 k( 310) = ( 0.2446809 0.3811641 0.3122039), wk = 0.0021739 k( 311) = ( 0.2340425 0.3811641 0.3122039), wk = 0.0021739 k( 312) = ( 0.2234043 0.3811641 0.3122039), wk = 0.0021739 k( 313) = ( 0.2127660 0.3811641 0.3122039), wk = 0.0021739 k( 314) = ( 0.2021277 0.3811641 0.3122039), wk = 0.0021739 k( 315) = ( 0.1914894 0.3811641 0.3122039), wk = 0.0021739 k( 316) = ( 0.1808511 0.3811641 0.3122039), wk = 0.0021739 k( 317) = ( 0.1702128 0.3811641 0.3122039), wk = 0.0021739 k( 318) = ( 0.1595745 0.3811641 0.3122039), wk = 0.0021739 k( 319) = ( 0.1489362 0.3811641 0.3122039), wk = 0.0021739 k( 320) = ( 0.1382979 0.3811641 0.3122039), wk = 0.0021739 k( 321) = ( 0.1276596 0.3811641 0.3122039), wk = 0.0021739 k( 322) = ( 0.1170213 0.3811641 0.3122039), wk = 0.0021739 k( 323) = ( 0.1063830 0.3811641 0.3122039), wk = 0.0021739 k( 324) = ( 0.0957447 0.3811641 0.3122039), wk = 0.0021739 k( 325) = ( 0.0851064 0.3811641 0.3122039), wk = 0.0021739 k( 326) = ( 0.0744681 0.3811641 0.3122039), wk = 0.0021739 k( 327) = ( 0.0638298 0.3811641 0.3122039), wk = 0.0021739 k( 328) = ( 0.0531915 0.3811641 0.3122039), wk = 0.0021739 k( 329) = ( 0.0425532 0.3811641 0.3122039), wk = 0.0021739 k( 330) = ( 0.0319149 0.3811641 0.3122039), wk = 0.0021739 k( 331) = ( 0.0212766 0.3811641 0.3122039), wk = 0.0021739 k( 332) = ( 0.0106383 0.3811641 0.3122039), wk = 0.0021739 k( 333) = ( 0.0000000 0.3811641 0.3122039), wk = 0.0021739 k( 334) = ( 0.0000000 0.3811641 0.3122039), wk = 0.0021739 k( 335) = ( 0.0000000 0.3705762 0.3122039), wk = 0.0021739 k( 336) = ( 0.0000000 0.3599883 0.3122039), wk = 0.0021739 k( 337) = ( 0.0000000 0.3494004 0.3122039), wk = 0.0021739 k( 338) = ( 0.0000000 0.3388125 0.3122039), wk = 0.0021739 k( 339) = ( 0.0000000 0.3282246 0.3122039), wk = 0.0021739 k( 340) = ( 0.0000000 0.3176367 0.3122039), wk = 0.0021739 k( 341) = ( 0.0000000 0.3070488 0.3122039), wk = 0.0021739 k( 342) = ( 0.0000000 0.2964609 0.3122039), wk = 0.0021739 k( 343) = ( 0.0000000 0.2858730 0.3122039), wk = 0.0021739 k( 344) = ( 0.0000000 0.2752851 0.3122039), wk = 0.0021739 k( 345) = ( 0.0000000 0.2646973 0.3122039), wk = 0.0021739 k( 346) = ( 0.0000000 0.2541094 0.3122039), wk = 0.0021739 k( 347) = ( 0.0000000 0.2435215 0.3122039), wk = 0.0021739 k( 348) = ( 0.0000000 0.2329336 0.3122039), wk = 0.0021739 k( 349) = ( 0.0000000 0.2223457 0.3122039), wk = 0.0021739 k( 350) = ( 0.0000000 0.2117578 0.3122039), wk = 0.0021739 k( 351) = ( 0.0000000 0.2011699 0.3122039), wk = 0.0021739 k( 352) = ( 0.0000000 0.1905820 0.3122039), wk = 0.0021739 k( 353) = ( 0.0000000 0.1799941 0.3122039), wk = 0.0021739 k( 354) = ( 0.0000000 0.1694062 0.3122039), wk = 0.0021739 k( 355) = ( 0.0000000 0.1588184 0.3122039), wk = 0.0021739 k( 356) = ( 0.0000000 0.1482305 0.3122039), wk = 0.0021739 k( 357) = ( 0.0000000 0.1376426 0.3122039), wk = 0.0021739 k( 358) = ( 0.0000000 0.1270547 0.3122039), wk = 0.0021739 k( 359) = ( 0.0000000 0.1164668 0.3122039), wk = 0.0021739 k( 360) = ( 0.0000000 0.1058789 0.3122039), wk = 0.0021739 k( 361) = ( 0.0000000 0.0952910 0.3122039), wk = 0.0021739 k( 362) = ( 0.0000000 0.0847031 0.3122039), wk = 0.0021739 k( 363) = ( 0.0000000 0.0741152 0.3122039), wk = 0.0021739 k( 364) = ( 0.0000000 0.0635273 0.3122039), wk = 0.0021739 k( 365) = ( 0.0000000 0.0529394 0.3122039), wk = 0.0021739 k( 366) = ( 0.0000000 0.0423516 0.3122039), wk = 0.0021739 k( 367) = ( 0.0000000 0.0317637 0.3122039), wk = 0.0021739 k( 368) = ( 0.0000000 0.0211758 0.3122039), wk = 0.0021739 k( 369) = ( 0.0000000 0.0105879 0.3122039), wk = 0.0021739 k( 370) = ( 0.0000000 0.0000000 0.3122039), wk = 0.0021739 k( 371) = ( 0.0000000 0.3811641 -0.0000000), wk = 0.0021739 k( 372) = ( 0.0000000 0.3811641 0.0107657), wk = 0.0021739 k( 373) = ( 0.0000000 0.3811641 0.0215313), wk = 0.0021739 k( 374) = ( 0.0000000 0.3811641 0.0322970), wk = 0.0021739 k( 375) = ( 0.0000000 0.3811641 0.0430626), wk = 0.0021739 k( 376) = ( 0.0000000 0.3811641 0.0538283), wk = 0.0021739 k( 377) = ( 0.0000000 0.3811641 0.0645939), wk = 0.0021739 k( 378) = ( 0.0000000 0.3811641 0.0753596), wk = 0.0021739 k( 379) = ( 0.0000000 0.3811641 0.0861252), wk = 0.0021739 k( 380) = ( 0.0000000 0.3811641 0.0968909), wk = 0.0021739 k( 381) = ( 0.0000000 0.3811641 0.1076565), wk = 0.0021739 k( 382) = ( 0.0000000 0.3811641 0.1184222), wk = 0.0021739 k( 383) = ( 0.0000000 0.3811641 0.1291878), wk = 0.0021739 k( 384) = ( 0.0000000 0.3811641 0.1399535), wk = 0.0021739 k( 385) = ( 0.0000000 0.3811641 0.1507191), wk = 0.0021739 k( 386) = ( 0.0000000 0.3811641 0.1614848), wk = 0.0021739 k( 387) = ( 0.0000000 0.3811641 0.1722504), wk = 0.0021739 k( 388) = ( 0.0000000 0.3811641 0.1830161), wk = 0.0021739 k( 389) = ( 0.0000000 0.3811641 0.1937817), wk = 0.0021739 k( 390) = ( 0.0000000 0.3811641 0.2045474), wk = 0.0021739 k( 391) = ( 0.0000000 0.3811641 0.2153130), wk = 0.0021739 k( 392) = ( 0.0000000 0.3811641 0.2260787), wk = 0.0021739 k( 393) = ( 0.0000000 0.3811641 0.2368443), wk = 0.0021739 k( 394) = ( 0.0000000 0.3811641 0.2476100), wk = 0.0021739 k( 395) = ( 0.0000000 0.3811641 0.2583756), wk = 0.0021739 k( 396) = ( 0.0000000 0.3811641 0.2691413), wk = 0.0021739 k( 397) = ( 0.0000000 0.3811641 0.2799069), wk = 0.0021739 k( 398) = ( 0.0000000 0.3811641 0.2906726), wk = 0.0021739 k( 399) = ( 0.0000000 0.3811641 0.3014382), wk = 0.0021739 k( 400) = ( 0.0000000 0.3811641 0.3122039), wk = 0.0021739 k( 401) = ( 0.5000000 -0.0000000 0.3122039), wk = 0.0021739 k( 402) = ( 0.5000000 -0.0000000 0.3014382), wk = 0.0021739 k( 403) = ( 0.5000000 -0.0000000 0.2906726), wk = 0.0021739 k( 404) = ( 0.5000000 -0.0000000 0.2799069), wk = 0.0021739 k( 405) = ( 0.5000000 -0.0000000 0.2691413), wk = 0.0021739 k( 406) = ( 0.5000000 -0.0000000 0.2583756), wk = 0.0021739 k( 407) = ( 0.5000000 -0.0000000 0.2476100), wk = 0.0021739 k( 408) = ( 0.5000000 -0.0000000 0.2368443), wk = 0.0021739 k( 409) = ( 0.5000000 -0.0000000 0.2260787), wk = 0.0021739 k( 410) = ( 0.5000000 -0.0000000 0.2153130), wk = 0.0021739 k( 411) = ( 0.5000000 -0.0000000 0.2045474), wk = 0.0021739 k( 412) = ( 0.5000000 -0.0000000 0.1937817), wk = 0.0021739 k( 413) = ( 0.5000000 -0.0000000 0.1830161), wk = 0.0021739 k( 414) = ( 0.5000000 -0.0000000 0.1722504), wk = 0.0021739 k( 415) = ( 0.5000000 -0.0000000 0.1614848), wk = 0.0021739 k( 416) = ( 0.5000000 -0.0000000 0.1507191), wk = 0.0021739 k( 417) = ( 0.5000000 -0.0000000 0.1399535), wk = 0.0021739 k( 418) = ( 0.5000000 -0.0000000 0.1291878), wk = 0.0021739 k( 419) = ( 0.5000000 -0.0000000 0.1184222), wk = 0.0021739 k( 420) = ( 0.5000000 -0.0000000 0.1076565), wk = 0.0021739 k( 421) = ( 0.5000000 -0.0000000 0.0968909), wk = 0.0021739 k( 422) = ( 0.5000000 -0.0000000 0.0861252), wk = 0.0021739 k( 423) = ( 0.5000000 -0.0000000 0.0753596), wk = 0.0021739 k( 424) = ( 0.5000000 -0.0000000 0.0645939), wk = 0.0021739 k( 425) = ( 0.5000000 -0.0000000 0.0538283), wk = 0.0021739 k( 426) = ( 0.5000000 -0.0000000 0.0430626), wk = 0.0021739 k( 427) = ( 0.5000000 -0.0000000 0.0322970), wk = 0.0021739 k( 428) = ( 0.5000000 -0.0000000 0.0215313), wk = 0.0021739 k( 429) = ( 0.5000000 -0.0000000 0.0107657), wk = 0.0021739 k( 430) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 431) = ( 0.5000000 0.3811641 -0.0000000), wk = 0.0021739 k( 432) = ( 0.5000000 0.3811641 0.0107657), wk = 0.0021739 k( 433) = ( 0.5000000 0.3811641 0.0215313), wk = 0.0021739 k( 434) = ( 0.5000000 0.3811641 0.0322970), wk = 0.0021739 k( 435) = ( 0.5000000 0.3811641 0.0430626), wk = 0.0021739 k( 436) = ( 0.5000000 0.3811641 0.0538283), wk = 0.0021739 k( 437) = ( 0.5000000 0.3811641 0.0645939), wk = 0.0021739 k( 438) = ( 0.5000000 0.3811641 0.0753596), wk = 0.0021739 k( 439) = ( 0.5000000 0.3811641 0.0861252), wk = 0.0021739 k( 440) = ( 0.5000000 0.3811641 0.0968909), wk = 0.0021739 k( 441) = ( 0.5000000 0.3811641 0.1076565), wk = 0.0021739 k( 442) = ( 0.5000000 0.3811641 0.1184222), wk = 0.0021739 k( 443) = ( 0.5000000 0.3811641 0.1291878), wk = 0.0021739 k( 444) = ( 0.5000000 0.3811641 0.1399535), wk = 0.0021739 k( 445) = ( 0.5000000 0.3811641 0.1507191), wk = 0.0021739 k( 446) = ( 0.5000000 0.3811641 0.1614848), wk = 0.0021739 k( 447) = ( 0.5000000 0.3811641 0.1722504), wk = 0.0021739 k( 448) = ( 0.5000000 0.3811641 0.1830161), wk = 0.0021739 k( 449) = ( 0.5000000 0.3811641 0.1937817), wk = 0.0021739 k( 450) = ( 0.5000000 0.3811641 0.2045474), wk = 0.0021739 k( 451) = ( 0.5000000 0.3811641 0.2153130), wk = 0.0021739 k( 452) = ( 0.5000000 0.3811641 0.2260787), wk = 0.0021739 k( 453) = ( 0.5000000 0.3811641 0.2368443), wk = 0.0021739 k( 454) = ( 0.5000000 0.3811641 0.2476100), wk = 0.0021739 k( 455) = ( 0.5000000 0.3811641 0.2583756), wk = 0.0021739 k( 456) = ( 0.5000000 0.3811641 0.2691413), wk = 0.0021739 k( 457) = ( 0.5000000 0.3811641 0.2799069), wk = 0.0021739 k( 458) = ( 0.5000000 0.3811641 0.2906726), wk = 0.0021739 k( 459) = ( 0.5000000 0.3811641 0.3014382), wk = 0.0021739 k( 460) = ( 0.5000000 0.3811641 0.3122039), wk = 0.0021739 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0106383 0.0000000 0.0000000), wk = 0.0021739 k( 3) = ( 0.0212766 0.0000000 0.0000000), wk = 0.0021739 k( 4) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0021739 k( 5) = ( 0.0425532 0.0000000 0.0000000), wk = 0.0021739 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0021739 k( 7) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0021739 k( 8) = ( 0.0744681 0.0000000 0.0000000), wk = 0.0021739 k( 9) = ( 0.0851064 0.0000000 0.0000000), wk = 0.0021739 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0021739 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0021739 k( 12) = ( 0.1170213 0.0000000 0.0000000), wk = 0.0021739 k( 13) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0021739 k( 14) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0021739 k( 15) = ( 0.1489362 0.0000000 0.0000000), wk = 0.0021739 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0021739 k( 17) = ( 0.1702128 0.0000000 0.0000000), wk = 0.0021739 k( 18) = ( 0.1808511 0.0000000 0.0000000), wk = 0.0021739 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0021739 k( 20) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0021739 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0021739 k( 22) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0021739 k( 23) = ( 0.2340425 0.0000000 0.0000000), wk = 0.0021739 k( 24) = ( 0.2446809 0.0000000 0.0000000), wk = 0.0021739 k( 25) = ( 0.2553191 0.0000000 0.0000000), wk = 0.0021739 k( 26) = ( 0.2659574 0.0000000 -0.0000000), wk = 0.0021739 k( 27) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0021739 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0021739 k( 29) = ( 0.2978723 0.0000000 0.0000000), wk = 0.0021739 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0021739 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0021739 k( 32) = ( 0.3297872 0.0000000 0.0000000), wk = 0.0021739 k( 33) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0021739 k( 34) = ( 0.3510638 0.0000000 0.0000000), wk = 0.0021739 k( 35) = ( 0.3617021 0.0000000 0.0000000), wk = 0.0021739 k( 36) = ( 0.3723404 0.0000000 0.0000000), wk = 0.0021739 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0021739 k( 38) = ( 0.3936170 0.0000000 0.0000000), wk = 0.0021739 k( 39) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0021739 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0021739 k( 41) = ( 0.4255319 0.0000000 0.0000000), wk = 0.0021739 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0021739 k( 43) = ( 0.4468085 0.0000000 0.0000000), wk = 0.0021739 k( 44) = ( 0.4574468 0.0000000 0.0000000), wk = 0.0021739 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0021739 k( 46) = ( 0.4787234 0.0000000 0.0000000), wk = 0.0021739 k( 47) = ( 0.4893617 0.0000000 0.0000000), wk = 0.0021739 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 50) = ( 0.5000000 0.0138889 0.0000000), wk = 0.0021739 k( 51) = ( 0.5000000 0.0277778 0.0000000), wk = 0.0021739 k( 52) = ( 0.5000000 0.0416667 0.0000000), wk = 0.0021739 k( 53) = ( 0.5000000 0.0555556 0.0000000), wk = 0.0021739 k( 54) = ( 0.5000000 0.0694444 0.0000000), wk = 0.0021739 k( 55) = ( 0.5000000 0.0833333 0.0000000), wk = 0.0021739 k( 56) = ( 0.5000000 0.0972222 0.0000000), wk = 0.0021739 k( 57) = ( 0.5000000 0.1111111 0.0000000), wk = 0.0021739 k( 58) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0021739 k( 59) = ( 0.5000000 0.1388889 0.0000000), wk = 0.0021739 k( 60) = ( 0.5000000 0.1527778 -0.0000000), wk = 0.0021739 k( 61) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0021739 k( 62) = ( 0.5000000 0.1805556 0.0000000), wk = 0.0021739 k( 63) = ( 0.5000000 0.1944444 0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.2083333 0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.2222222 0.0000000), wk = 0.0021739 k( 66) = ( 0.5000000 0.2361111 -0.0000000), wk = 0.0021739 k( 67) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0021739 k( 68) = ( 0.5000000 0.2638889 0.0000000), wk = 0.0021739 k( 69) = ( 0.5000000 0.2777778 0.0000000), wk = 0.0021739 k( 70) = ( 0.5000000 0.2916667 0.0000000), wk = 0.0021739 k( 71) = ( 0.5000000 0.3055556 0.0000000), wk = 0.0021739 k( 72) = ( 0.5000000 0.3194444 0.0000000), wk = 0.0021739 k( 73) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0021739 k( 74) = ( 0.5000000 0.3472222 0.0000000), wk = 0.0021739 k( 75) = ( 0.5000000 0.3611111 0.0000000), wk = 0.0021739 k( 76) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0021739 k( 77) = ( 0.5000000 0.3888889 0.0000000), wk = 0.0021739 k( 78) = ( 0.5000000 0.4027778 0.0000000), wk = 0.0021739 k( 79) = ( 0.5000000 0.4166667 0.0000000), wk = 0.0021739 k( 80) = ( 0.5000000 0.4305556 0.0000000), wk = 0.0021739 k( 81) = ( 0.5000000 0.4444444 0.0000000), wk = 0.0021739 k( 82) = ( 0.5000000 0.4583333 0.0000000), wk = 0.0021739 k( 83) = ( 0.5000000 0.4722222 -0.0000000), wk = 0.0021739 k( 84) = ( 0.5000000 0.4861111 0.0000000), wk = 0.0021739 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 87) = ( 0.4893617 0.5000000 0.0000000), wk = 0.0021739 k( 88) = ( 0.4787234 0.5000000 0.0000000), wk = 0.0021739 k( 89) = ( 0.4680851 0.5000000 0.0000000), wk = 0.0021739 k( 90) = ( 0.4574468 0.5000000 0.0000000), wk = 0.0021739 k( 91) = ( 0.4468085 0.5000000 0.0000000), wk = 0.0021739 k( 92) = ( 0.4361702 0.5000000 0.0000000), wk = 0.0021739 k( 93) = ( 0.4255319 0.5000000 0.0000000), wk = 0.0021739 k( 94) = ( 0.4148936 0.5000000 0.0000000), wk = 0.0021739 k( 95) = ( 0.4042553 0.5000000 0.0000000), wk = 0.0021739 k( 96) = ( 0.3936170 0.5000000 0.0000000), wk = 0.0021739 k( 97) = ( 0.3829787 0.5000000 0.0000000), wk = 0.0021739 k( 98) = ( 0.3723404 0.5000000 0.0000000), wk = 0.0021739 k( 99) = ( 0.3617021 0.5000000 -0.0000000), wk = 0.0021739 k( 100) = ( 0.3510638 0.5000000 0.0000000), wk = 0.0021739 k( 101) = ( 0.3404255 0.5000000 0.0000000), wk = 0.0021739 k( 102) = ( 0.3297872 0.5000000 0.0000000), wk = 0.0021739 k( 103) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0021739 k( 104) = ( 0.3085106 0.5000000 0.0000000), wk = 0.0021739 k( 105) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0021739 k( 106) = ( 0.2872340 0.5000000 0.0000000), wk = 0.0021739 k( 107) = ( 0.2765957 0.5000000 0.0000000), wk = 0.0021739 k( 108) = ( 0.2659574 0.5000000 -0.0000000), wk = 0.0021739 k( 109) = ( 0.2553191 0.5000000 -0.0000000), wk = 0.0021739 k( 110) = ( 0.2446809 0.5000000 0.0000000), wk = 0.0021739 k( 111) = ( 0.2340425 0.5000000 0.0000000), wk = 0.0021739 k( 112) = ( 0.2234043 0.5000000 0.0000000), wk = 0.0021739 k( 113) = ( 0.2127660 0.5000000 0.0000000), wk = 0.0021739 k( 114) = ( 0.2021277 0.5000000 0.0000000), wk = 0.0021739 k( 115) = ( 0.1914894 0.5000000 0.0000000), wk = 0.0021739 k( 116) = ( 0.1808511 0.5000000 0.0000000), wk = 0.0021739 k( 117) = ( 0.1702128 0.5000000 0.0000000), wk = 0.0021739 k( 118) = ( 0.1595745 0.5000000 0.0000000), wk = 0.0021739 k( 119) = ( 0.1489362 0.5000000 0.0000000), wk = 0.0021739 k( 120) = ( 0.1382979 0.5000000 0.0000000), wk = 0.0021739 k( 121) = ( 0.1276596 0.5000000 0.0000000), wk = 0.0021739 k( 122) = ( 0.1170213 0.5000000 -0.0000000), wk = 0.0021739 k( 123) = ( 0.1063830 0.5000000 0.0000000), wk = 0.0021739 k( 124) = ( 0.0957447 0.5000000 0.0000000), wk = 0.0021739 k( 125) = ( 0.0851064 0.5000000 -0.0000000), wk = 0.0021739 k( 126) = ( 0.0744681 0.5000000 0.0000000), wk = 0.0021739 k( 127) = ( 0.0638298 0.5000000 0.0000000), wk = 0.0021739 k( 128) = ( 0.0531915 0.5000000 0.0000000), wk = 0.0021739 k( 129) = ( 0.0425532 0.5000000 0.0000000), wk = 0.0021739 k( 130) = ( 0.0319149 0.5000000 -0.0000000), wk = 0.0021739 k( 131) = ( 0.0212766 0.5000000 0.0000000), wk = 0.0021739 k( 132) = ( 0.0106383 0.5000000 -0.0000000), wk = 0.0021739 k( 133) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021739 k( 134) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021739 k( 135) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0021739 k( 136) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0021739 k( 137) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0021739 k( 138) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0021739 k( 139) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0021739 k( 140) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0021739 k( 141) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0021739 k( 142) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0021739 k( 143) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0021739 k( 144) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0021739 k( 145) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0021739 k( 146) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0021739 k( 147) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0021739 k( 148) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0021739 k( 149) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0021739 k( 150) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0021739 k( 151) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0021739 k( 152) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0021739 k( 153) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0021739 k( 154) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0021739 k( 158) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0021739 k( 159) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0021739 k( 160) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0021739 k( 161) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0021739 k( 162) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0021739 k( 163) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0021739 k( 164) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0021739 k( 165) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0021739 k( 166) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0021739 k( 167) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0021739 k( 168) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0021739 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 172) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0021739 k( 173) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0021739 k( 174) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0021739 k( 175) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0021739 k( 176) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.2068965), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 202) = ( 0.0106383 0.0000000 0.5000000), wk = 0.0021739 k( 203) = ( 0.0212766 0.0000000 0.5000000), wk = 0.0021739 k( 204) = ( 0.0319149 0.0000000 0.5000000), wk = 0.0021739 k( 205) = ( 0.0425532 0.0000000 0.5000000), wk = 0.0021739 k( 206) = ( 0.0531915 0.0000000 0.5000000), wk = 0.0021739 k( 207) = ( 0.0638298 0.0000000 0.5000000), wk = 0.0021739 k( 208) = ( 0.0744681 0.0000000 0.5000000), wk = 0.0021739 k( 209) = ( 0.0851064 0.0000000 0.5000000), wk = 0.0021739 k( 210) = ( 0.0957447 0.0000000 0.5000000), wk = 0.0021739 k( 211) = ( 0.1063830 0.0000000 0.5000000), wk = 0.0021739 k( 212) = ( 0.1170213 0.0000000 0.5000000), wk = 0.0021739 k( 213) = ( 0.1276596 0.0000000 0.5000000), wk = 0.0021739 k( 214) = ( 0.1382979 0.0000000 0.5000000), wk = 0.0021739 k( 215) = ( 0.1489362 0.0000000 0.5000000), wk = 0.0021739 k( 216) = ( 0.1595745 0.0000000 0.5000000), wk = 0.0021739 k( 217) = ( 0.1702128 0.0000000 0.5000000), wk = 0.0021739 k( 218) = ( 0.1808511 0.0000000 0.5000000), wk = 0.0021739 k( 219) = ( 0.1914894 0.0000000 0.5000000), wk = 0.0021739 k( 220) = ( 0.2021277 0.0000000 0.5000000), wk = 0.0021739 k( 221) = ( 0.2127660 0.0000000 0.5000000), wk = 0.0021739 k( 222) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0021739 k( 223) = ( 0.2340425 0.0000000 0.5000000), wk = 0.0021739 k( 224) = ( 0.2446809 0.0000000 0.5000000), wk = 0.0021739 k( 225) = ( 0.2553191 0.0000000 0.5000000), wk = 0.0021739 k( 226) = ( 0.2659574 0.0000000 0.5000000), wk = 0.0021739 k( 227) = ( 0.2765957 0.0000000 0.5000000), wk = 0.0021739 k( 228) = ( 0.2872340 0.0000000 0.5000000), wk = 0.0021739 k( 229) = ( 0.2978723 0.0000000 0.5000000), wk = 0.0021739 k( 230) = ( 0.3085106 0.0000000 0.5000000), wk = 0.0021739 k( 231) = ( 0.3191489 0.0000000 0.5000000), wk = 0.0021739 k( 232) = ( 0.3297872 0.0000000 0.5000000), wk = 0.0021739 k( 233) = ( 0.3404255 0.0000000 0.5000000), wk = 0.0021739 k( 234) = ( 0.3510638 0.0000000 0.5000000), wk = 0.0021739 k( 235) = ( 0.3617021 0.0000000 0.5000000), wk = 0.0021739 k( 236) = ( 0.3723404 0.0000000 0.5000000), wk = 0.0021739 k( 237) = ( 0.3829787 0.0000000 0.5000000), wk = 0.0021739 k( 238) = ( 0.3936170 0.0000000 0.5000000), wk = 0.0021739 k( 239) = ( 0.4042553 0.0000000 0.5000000), wk = 0.0021739 k( 240) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0021739 k( 241) = ( 0.4255319 0.0000000 0.5000000), wk = 0.0021739 k( 242) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0021739 k( 243) = ( 0.4468085 0.0000000 0.5000000), wk = 0.0021739 k( 244) = ( 0.4574468 0.0000000 0.5000000), wk = 0.0021739 k( 245) = ( 0.4680851 0.0000000 0.5000000), wk = 0.0021739 k( 246) = ( 0.4787234 0.0000000 0.5000000), wk = 0.0021739 k( 247) = ( 0.4893617 0.0000000 0.5000000), wk = 0.0021739 k( 248) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 249) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 250) = ( 0.5000000 0.0138889 0.5000000), wk = 0.0021739 k( 251) = ( 0.5000000 0.0277778 0.5000000), wk = 0.0021739 k( 252) = ( 0.5000000 0.0416667 0.5000000), wk = 0.0021739 k( 253) = ( 0.5000000 0.0555556 0.5000000), wk = 0.0021739 k( 254) = ( 0.5000000 0.0694444 0.5000000), wk = 0.0021739 k( 255) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0021739 k( 256) = ( 0.5000000 0.0972222 0.5000000), wk = 0.0021739 k( 257) = ( 0.5000000 0.1111111 0.5000000), wk = 0.0021739 k( 258) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0021739 k( 259) = ( 0.5000000 0.1388889 0.5000000), wk = 0.0021739 k( 260) = ( 0.5000000 0.1527778 0.5000000), wk = 0.0021739 k( 261) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0021739 k( 262) = ( 0.5000000 0.1805556 0.5000000), wk = 0.0021739 k( 263) = ( 0.5000000 0.1944444 0.5000000), wk = 0.0021739 k( 264) = ( 0.5000000 0.2083333 0.5000000), wk = 0.0021739 k( 265) = ( 0.5000000 0.2222222 0.5000000), wk = 0.0021739 k( 266) = ( 0.5000000 0.2361111 0.5000000), wk = 0.0021739 k( 267) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0021739 k( 268) = ( 0.5000000 0.2638889 0.5000000), wk = 0.0021739 k( 269) = ( 0.5000000 0.2777778 0.5000000), wk = 0.0021739 k( 270) = ( 0.5000000 0.2916667 0.5000000), wk = 0.0021739 k( 271) = ( 0.5000000 0.3055556 0.5000000), wk = 0.0021739 k( 272) = ( 0.5000000 0.3194444 0.5000000), wk = 0.0021739 k( 273) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0021739 k( 274) = ( 0.5000000 0.3472222 0.5000000), wk = 0.0021739 k( 275) = ( 0.5000000 0.3611111 0.5000000), wk = 0.0021739 k( 276) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0021739 k( 277) = ( 0.5000000 0.3888889 0.5000000), wk = 0.0021739 k( 278) = ( 0.5000000 0.4027778 0.5000000), wk = 0.0021739 k( 279) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0021739 k( 280) = ( 0.5000000 0.4305556 0.5000000), wk = 0.0021739 k( 281) = ( 0.5000000 0.4444444 0.5000000), wk = 0.0021739 k( 282) = ( 0.5000000 0.4583333 0.5000000), wk = 0.0021739 k( 283) = ( 0.5000000 0.4722222 0.5000000), wk = 0.0021739 k( 284) = ( 0.5000000 0.4861111 0.5000000), wk = 0.0021739 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 287) = ( 0.4893617 0.5000000 0.5000000), wk = 0.0021739 k( 288) = ( 0.4787234 0.5000000 0.5000000), wk = 0.0021739 k( 289) = ( 0.4680851 0.5000000 0.5000000), wk = 0.0021739 k( 290) = ( 0.4574468 0.5000000 0.5000000), wk = 0.0021739 k( 291) = ( 0.4468085 0.5000000 0.5000000), wk = 0.0021739 k( 292) = ( 0.4361702 0.5000000 0.5000000), wk = 0.0021739 k( 293) = ( 0.4255319 0.5000000 0.5000000), wk = 0.0021739 k( 294) = ( 0.4148936 0.5000000 0.5000000), wk = 0.0021739 k( 295) = ( 0.4042553 0.5000000 0.5000000), wk = 0.0021739 k( 296) = ( 0.3936170 0.5000000 0.5000000), wk = 0.0021739 k( 297) = ( 0.3829787 0.5000000 0.5000000), wk = 0.0021739 k( 298) = ( 0.3723404 0.5000000 0.5000000), wk = 0.0021739 k( 299) = ( 0.3617021 0.5000000 0.5000000), wk = 0.0021739 k( 300) = ( 0.3510638 0.5000000 0.5000000), wk = 0.0021739 k( 301) = ( 0.3404255 0.5000000 0.5000000), wk = 0.0021739 k( 302) = ( 0.3297872 0.5000000 0.5000000), wk = 0.0021739 k( 303) = ( 0.3191489 0.5000000 0.5000000), wk = 0.0021739 k( 304) = ( 0.3085106 0.5000000 0.5000000), wk = 0.0021739 k( 305) = ( 0.2978723 0.5000000 0.5000000), wk = 0.0021739 k( 306) = ( 0.2872340 0.5000000 0.5000000), wk = 0.0021739 k( 307) = ( 0.2765957 0.5000000 0.5000000), wk = 0.0021739 k( 308) = ( 0.2659574 0.5000000 0.5000000), wk = 0.0021739 k( 309) = ( 0.2553191 0.5000000 0.5000000), wk = 0.0021739 k( 310) = ( 0.2446809 0.5000000 0.5000000), wk = 0.0021739 k( 311) = ( 0.2340425 0.5000000 0.5000000), wk = 0.0021739 k( 312) = ( 0.2234043 0.5000000 0.5000000), wk = 0.0021739 k( 313) = ( 0.2127660 0.5000000 0.5000000), wk = 0.0021739 k( 314) = ( 0.2021277 0.5000000 0.5000000), wk = 0.0021739 k( 315) = ( 0.1914894 0.5000000 0.5000000), wk = 0.0021739 k( 316) = ( 0.1808511 0.5000000 0.5000000), wk = 0.0021739 k( 317) = ( 0.1702128 0.5000000 0.5000000), wk = 0.0021739 k( 318) = ( 0.1595745 0.5000000 0.5000000), wk = 0.0021739 k( 319) = ( 0.1489362 0.5000000 0.5000000), wk = 0.0021739 k( 320) = ( 0.1382979 0.5000000 0.5000000), wk = 0.0021739 k( 321) = ( 0.1276596 0.5000000 0.5000000), wk = 0.0021739 k( 322) = ( 0.1170213 0.5000000 0.5000000), wk = 0.0021739 k( 323) = ( 0.1063830 0.5000000 0.5000000), wk = 0.0021739 k( 324) = ( 0.0957447 0.5000000 0.5000000), wk = 0.0021739 k( 325) = ( 0.0851064 0.5000000 0.5000000), wk = 0.0021739 k( 326) = ( 0.0744681 0.5000000 0.5000000), wk = 0.0021739 k( 327) = ( 0.0638298 0.5000000 0.5000000), wk = 0.0021739 k( 328) = ( 0.0531915 0.5000000 0.5000000), wk = 0.0021739 k( 329) = ( 0.0425532 0.5000000 0.5000000), wk = 0.0021739 k( 330) = ( 0.0319149 0.5000000 0.5000000), wk = 0.0021739 k( 331) = ( 0.0212766 0.5000000 0.5000000), wk = 0.0021739 k( 332) = ( 0.0106383 0.5000000 0.5000000), wk = 0.0021739 k( 333) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 334) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 335) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0021739 k( 336) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0021739 k( 337) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0021739 k( 338) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0021739 k( 339) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0021739 k( 340) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0021739 k( 341) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0021739 k( 342) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0021739 k( 343) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0021739 k( 344) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0021739 k( 345) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0021739 k( 346) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0021739 k( 347) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0021739 k( 348) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0021739 k( 349) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0021739 k( 350) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0021739 k( 351) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0021739 k( 352) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0021739 k( 353) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0021739 k( 354) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0021739 k( 355) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0021739 k( 356) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0021739 k( 357) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0021739 k( 358) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0021739 k( 359) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0021739 k( 360) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0021739 k( 361) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0021739 k( 362) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0021739 k( 363) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0021739 k( 364) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0021739 k( 365) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0021739 k( 366) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0021739 k( 367) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0021739 k( 368) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0021739 k( 369) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0021739 k( 370) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 371) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021739 k( 372) = ( 0.0000000 0.5000000 0.0172414), wk = 0.0021739 k( 373) = ( 0.0000000 0.5000000 0.0344828), wk = 0.0021739 k( 374) = ( 0.0000000 0.5000000 0.0517241), wk = 0.0021739 k( 375) = ( 0.0000000 0.5000000 0.0689655), wk = 0.0021739 k( 376) = ( 0.0000000 0.5000000 0.0862069), wk = 0.0021739 k( 377) = ( 0.0000000 0.5000000 0.1034483), wk = 0.0021739 k( 378) = ( 0.0000000 0.5000000 0.1206897), wk = 0.0021739 k( 379) = ( 0.0000000 0.5000000 0.1379310), wk = 0.0021739 k( 380) = ( 0.0000000 0.5000000 0.1551724), wk = 0.0021739 k( 381) = ( 0.0000000 0.5000000 0.1724138), wk = 0.0021739 k( 382) = ( 0.0000000 0.5000000 0.1896552), wk = 0.0021739 k( 383) = ( 0.0000000 0.5000000 0.2068965), wk = 0.0021739 k( 384) = ( 0.0000000 0.5000000 0.2241379), wk = 0.0021739 k( 385) = ( 0.0000000 0.5000000 0.2413793), wk = 0.0021739 k( 386) = ( 0.0000000 0.5000000 0.2586207), wk = 0.0021739 k( 387) = ( 0.0000000 0.5000000 0.2758621), wk = 0.0021739 k( 388) = ( 0.0000000 0.5000000 0.2931034), wk = 0.0021739 k( 389) = ( 0.0000000 0.5000000 0.3103448), wk = 0.0021739 k( 390) = ( 0.0000000 0.5000000 0.3275862), wk = 0.0021739 k( 391) = ( 0.0000000 0.5000000 0.3448276), wk = 0.0021739 k( 392) = ( 0.0000000 0.5000000 0.3620690), wk = 0.0021739 k( 393) = ( 0.0000000 0.5000000 0.3793103), wk = 0.0021739 k( 394) = ( 0.0000000 0.5000000 0.3965517), wk = 0.0021739 k( 395) = ( 0.0000000 0.5000000 0.4137931), wk = 0.0021739 k( 396) = ( 0.0000000 0.5000000 0.4310345), wk = 0.0021739 k( 397) = ( 0.0000000 0.5000000 0.4482759), wk = 0.0021739 k( 398) = ( 0.0000000 0.5000000 0.4655172), wk = 0.0021739 k( 399) = ( 0.0000000 0.5000000 0.4827586), wk = 0.0021739 k( 400) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 401) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 402) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0021739 k( 403) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0021739 k( 404) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0021739 k( 405) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0021739 k( 406) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0021739 k( 407) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0021739 k( 408) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0021739 k( 409) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0021739 k( 410) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0021739 k( 411) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0021739 k( 412) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0021739 k( 413) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0021739 k( 414) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0021739 k( 415) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0021739 k( 416) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0021739 k( 417) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0021739 k( 418) = ( 0.5000000 0.0000000 0.2068965), wk = 0.0021739 k( 419) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0021739 k( 420) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0021739 k( 421) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0021739 k( 422) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0021739 k( 423) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0021739 k( 424) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0021739 k( 425) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0021739 k( 426) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0021739 k( 427) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0021739 k( 428) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0021739 k( 429) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0021739 k( 430) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 431) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 432) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0021739 k( 433) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0021739 k( 434) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0021739 k( 435) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0021739 k( 436) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0021739 k( 437) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0021739 k( 438) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0021739 k( 439) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0021739 k( 440) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0021739 k( 441) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0021739 k( 442) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0021739 k( 443) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0021739 k( 444) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0021739 k( 445) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0021739 k( 446) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0021739 k( 447) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0021739 k( 448) = ( 0.5000000 0.5000000 0.2931035), wk = 0.0021739 k( 449) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0021739 k( 450) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0021739 k( 451) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0021739 k( 452) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0021739 k( 453) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0021739 k( 454) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0021739 k( 455) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0021739 k( 456) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0021739 k( 457) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0021739 k( 458) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0021739 k( 459) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0021739 k( 460) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 Dense grid: 34165 G-vectors FFT dimensions: ( 32, 45, 54) Smooth grid: 23227 G-vectors FFT dimensions: ( 27, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 134, 48) NL pseudopotentials 0.21 Mb ( 67, 204) Each V/rho on FFT grid 0.04 Mb ( 2880) Each G-vector array 0.01 Mb ( 713) G-vector shells 0.00 Mb ( 345) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 134, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.30 Mb ( 204, 2, 48) The potential is recalculated from file : ./FeS2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.2 secs Computing kpt #: 2 total cpu time spent up to now is 44.6 secs Computing kpt #: 3 total cpu time spent up to now is 46.1 secs Computing kpt #: 4 total cpu time spent up to now is 47.6 secs Computing kpt #: 5 total cpu time spent up to now is 49.1 secs Computing kpt #: 6 total cpu time spent up to now is 50.6 secs Computing kpt #: 7 total cpu time spent up to now is 52.1 secs Computing kpt #: 8 total cpu time spent up to now is 53.7 secs Computing kpt #: 9 total cpu time spent up to now is 55.2 secs Computing kpt #: 10 total cpu time spent up to now is 56.8 secs Computing kpt #: 11 total cpu time spent up to now is 58.3 secs Computing kpt #: 12 total cpu time spent up to now is 59.9 secs Computing kpt #: 13 total cpu time spent up to now is 61.4 secs Computing kpt #: 14 total cpu time spent up to now is 63.0 secs Computing kpt #: 15 total cpu time spent up to now is 64.5 secs Computing kpt #: 16 total cpu time spent up to now is 66.2 secs Computing kpt #: 17 total cpu time spent up to now is 67.6 secs Computing kpt #: 18 total cpu time spent up to now is 69.3 secs Computing kpt #: 19 total cpu time spent up to now is 70.9 secs Computing kpt #: 20 total cpu time spent up to now is 72.6 secs Computing kpt #: 21 total cpu time spent up to now is 74.1 secs Computing kpt #: 22 total cpu time spent up to now is 75.6 secs Computing kpt #: 23 total cpu time spent up to now is 77.2 secs Computing kpt #: 24 total cpu time spent up to now is 78.8 secs Computing kpt #: 25 total cpu time spent up to now is 80.5 secs Computing kpt #: 26 total cpu time spent up to now is 82.1 secs Computing kpt #: 27 total cpu time spent up to now is 84.1 secs Computing kpt #: 28 total cpu time spent up to now is 86.2 secs Computing kpt #: 29 total cpu time spent up to now is 88.1 secs Computing kpt #: 30 total cpu time spent up to now is 89.9 secs Computing kpt #: 31 total cpu time spent up to now is 91.7 secs Computing kpt #: 32 total cpu time spent up to now is 93.4 secs Computing kpt #: 33 total cpu time spent up to now is 95.2 secs Computing kpt #: 34 total cpu time spent up to now is 96.9 secs Computing kpt #: 35 total cpu time spent up to now is 98.7 secs Computing kpt #: 36 total cpu time spent up to now is 100.3 secs Computing kpt #: 37 total cpu time spent up to now is 101.8 secs Computing kpt #: 38 total cpu time spent up to now is 103.4 secs Computing kpt #: 39 total cpu time spent up to now is 104.9 secs Computing kpt #: 40 total cpu time spent up to now is 106.5 secs Computing kpt #: 41 total cpu time spent up to now is 108.0 secs Computing kpt #: 42 total cpu time spent up to now is 109.6 secs Computing kpt #: 43 total cpu time spent up to now is 111.1 secs Computing kpt #: 44 total cpu time spent up to now is 112.6 secs Computing kpt #: 45 total cpu time spent up to now is 114.0 secs Computing kpt #: 46 total cpu time spent up to now is 115.4 secs Computing kpt #: 47 total cpu time spent up to now is 117.1 secs Computing kpt #: 48 total cpu time spent up to now is 118.7 secs Computing kpt #: 49 total cpu time spent up to now is 120.2 secs Computing kpt #: 50 total cpu time spent up to now is 121.6 secs Computing kpt #: 51 total cpu time spent up to now is 123.1 secs Computing kpt #: 52 total cpu time spent up to now is 124.6 secs Computing kpt #: 53 total cpu time spent up to now is 126.1 secs Computing kpt #: 54 total cpu time spent up to now is 127.5 secs Computing kpt #: 55 total cpu time spent up to now is 129.0 secs Computing kpt #: 56 total cpu time spent up to now is 130.5 secs Computing kpt #: 57 total cpu time spent up to now is 132.1 secs Computing kpt #: 58 total cpu time spent up to now is 133.7 secs Computing kpt #: 59 total cpu time spent up to now is 135.3 secs Computing kpt #: 60 total cpu time spent up to now is 136.8 secs Computing kpt #: 61 total cpu time spent up to now is 138.3 secs Computing kpt #: 62 total cpu time spent up to now is 139.8 secs Computing kpt #: 63 total cpu time spent up to now is 141.3 secs Computing kpt #: 64 total cpu time spent up to now is 142.8 secs Computing kpt #: 65 total cpu time spent up to now is 144.2 secs Computing kpt #: 66 total cpu time spent up to now is 145.7 secs Computing kpt #: 67 total cpu time spent up to now is 147.1 secs Computing kpt #: 68 total cpu time spent up to now is 148.5 secs Computing kpt #: 69 total cpu time spent up to now is 149.7 secs Computing kpt #: 70 total cpu time spent up to now is 150.8 secs Computing kpt #: 71 total cpu time spent up to now is 151.9 secs Computing kpt #: 72 total cpu time spent up to now is 153.0 secs Computing kpt #: 73 total cpu time spent up to now is 154.1 secs Computing kpt #: 74 total cpu time spent up to now is 155.2 secs Computing kpt #: 75 total cpu time spent up to now is 156.3 secs Computing kpt #: 76 total cpu time spent up to now is 157.4 secs Computing kpt #: 77 total cpu time spent up to now is 158.5 secs Computing kpt #: 78 total cpu time spent up to now is 159.6 secs Computing kpt #: 79 total cpu time spent up to now is 160.7 secs Computing kpt #: 80 total cpu time spent up to now is 161.8 secs Computing kpt #: 81 total cpu time spent up to now is 162.9 secs Computing kpt #: 82 total cpu time spent up to now is 164.0 secs Computing kpt #: 83 total cpu time spent up to now is 165.1 secs Computing kpt #: 84 total cpu time spent up to now is 166.2 secs Computing kpt #: 85 total cpu time spent up to now is 167.3 secs Computing kpt #: 86 total cpu time spent up to now is 168.4 secs Computing kpt #: 87 total cpu time spent up to now is 169.5 secs Computing kpt #: 88 total cpu time spent up to now is 170.7 secs Computing kpt #: 89 total cpu time spent up to now is 171.8 secs Computing kpt #: 90 total cpu time spent up to now is 172.9 secs Computing kpt #: 91 total cpu time spent up to now is 174.0 secs Computing kpt #: 92 total cpu time spent up to now is 175.1 secs Computing kpt #: 93 total cpu time spent up to now is 176.2 secs Computing kpt #: 94 total cpu time spent up to now is 177.4 secs Computing kpt #: 95 total cpu time spent up to now is 178.5 secs Computing kpt #: 96 total cpu time spent up to now is 179.6 secs Computing kpt #: 97 total cpu time spent up to now is 180.7 secs Computing kpt #: 98 total cpu time spent up to now is 181.9 secs Computing kpt #: 99 total cpu time spent up to now is 183.2 secs Computing kpt #: 100 total cpu time spent up to now is 184.3 secs Computing kpt #: 101 total cpu time spent up to now is 185.6 secs Computing kpt #: 102 total cpu time spent up to now is 186.9 secs Computing kpt #: 103 total cpu time spent up to now is 188.3 secs Computing kpt #: 104 total cpu time spent up to now is 189.7 secs Computing kpt #: 105 total cpu time spent up to now is 191.0 secs Computing kpt #: 106 total cpu time spent up to now is 192.3 secs Computing kpt #: 107 total cpu time spent up to now is 193.6 secs Computing kpt #: 108 total cpu time spent up to now is 194.9 secs Computing kpt #: 109 total cpu time spent up to now is 196.3 secs Computing kpt #: 110 total cpu time spent up to now is 197.4 secs Computing kpt #: 111 total cpu time spent up to now is 198.8 secs Computing kpt #: 112 total cpu time spent up to now is 200.2 secs Computing kpt #: 113 total cpu time spent up to now is 201.6 secs Computing kpt #: 114 total cpu time spent up to now is 203.0 secs Computing kpt #: 115 total cpu time spent up to now is 204.4 secs Computing kpt #: 116 total cpu time spent up to now is 205.9 secs Computing kpt #: 117 total cpu time spent up to now is 207.3 secs Computing kpt #: 118 total cpu time spent up to now is 208.8 secs Computing kpt #: 119 total cpu time spent up to now is 210.2 secs Computing kpt #: 120 total cpu time spent up to now is 211.7 secs Computing kpt #: 121 total cpu time spent up to now is 213.2 secs Computing kpt #: 122 total cpu time spent up to now is 214.8 secs Computing kpt #: 123 total cpu time spent up to now is 216.5 secs Computing kpt #: 124 total cpu time spent up to now is 218.1 secs Computing kpt #: 125 total cpu time spent up to now is 219.8 secs Computing kpt #: 126 total cpu time spent up to now is 221.4 secs Computing kpt #: 127 total cpu time spent up to now is 223.1 secs Computing kpt #: 128 total cpu time spent up to now is 224.8 secs Computing kpt #: 129 total cpu time spent up to now is 226.5 secs Computing kpt #: 130 total cpu time spent up to now is 228.2 secs Computing kpt #: 131 total cpu time spent up to now is 229.9 secs Computing kpt #: 132 total cpu time spent up to now is 231.6 secs Computing kpt #: 133 total cpu time spent up to now is 233.2 secs Computing kpt #: 134 total cpu time spent up to now is 234.8 secs Computing kpt #: 135 total cpu time spent up to now is 236.5 secs Computing kpt #: 136 total cpu time spent up to now is 238.2 secs Computing kpt #: 137 total cpu time spent up to now is 239.9 secs Computing kpt #: 138 total cpu time spent up to now is 241.7 secs Computing kpt #: 139 total cpu time spent up to now is 243.5 secs Computing kpt #: 140 total cpu time spent up to now is 245.3 secs Computing kpt #: 141 total cpu time spent up to now is 247.2 secs Computing kpt #: 142 total cpu time spent up to now is 249.0 secs Computing kpt #: 143 total cpu time spent up to now is 250.8 secs Computing kpt #: 144 total cpu time spent up to now is 252.6 secs Computing kpt #: 145 total cpu time spent up to now is 254.2 secs Computing kpt #: 146 total cpu time spent up to now is 255.7 secs Computing kpt #: 147 total cpu time spent up to now is 257.2 secs Computing kpt #: 148 total cpu time spent up to now is 258.7 secs Computing kpt #: 149 total cpu time spent up to now is 260.1 secs Computing kpt #: 150 total cpu time spent up to now is 261.6 secs Computing kpt #: 151 total cpu time spent up to now is 263.0 secs Computing kpt #: 152 total cpu time spent up to now is 264.5 secs Computing kpt #: 153 total cpu time spent up to now is 266.0 secs Computing kpt #: 154 total cpu time spent up to now is 267.4 secs Computing kpt #: 155 total cpu time spent up to now is 268.9 secs Computing kpt #: 156 total cpu time spent up to now is 270.4 secs Computing kpt #: 157 total cpu time spent up to now is 272.0 secs Computing kpt #: 158 total cpu time spent up to now is 273.6 secs Computing kpt #: 159 total cpu time spent up to now is 275.1 secs Computing kpt #: 160 total cpu time spent up to now is 276.9 secs Computing kpt #: 161 total cpu time spent up to now is 278.9 secs Computing kpt #: 162 total cpu time spent up to now is 280.5 secs Computing kpt #: 163 total cpu time spent up to now is 282.2 secs Computing kpt #: 164 total cpu time spent up to now is 283.7 secs Computing kpt #: 165 total cpu time spent up to now is 285.3 secs Computing kpt #: 166 total cpu time spent up to now is 286.7 secs Computing kpt #: 167 total cpu time spent up to now is 288.1 secs Computing kpt #: 168 total cpu time spent up to now is 289.4 secs Computing kpt #: 169 total cpu time spent up to now is 290.9 secs Computing kpt #: 170 total cpu time spent up to now is 292.2 secs Computing kpt #: 171 total cpu time spent up to now is 293.4 secs Computing kpt #: 172 total cpu time spent up to now is 294.9 secs Computing kpt #: 173 total cpu time spent up to now is 296.4 secs Computing kpt #: 174 total cpu time spent up to now is 297.9 secs Computing kpt #: 175 total cpu time spent up to now is 299.1 secs Computing kpt #: 176 total cpu time spent up to now is 300.4 secs Computing kpt #: 177 total cpu time spent up to now is 301.9 secs Computing kpt #: 178 total cpu time spent up to now is 303.4 secs Computing kpt #: 179 total cpu time spent up to now is 304.9 secs Computing kpt #: 180 total cpu time spent up to now is 306.5 secs Computing kpt #: 181 total cpu time spent up to now is 308.1 secs Computing kpt #: 182 total cpu time spent up to now is 309.8 secs Computing kpt #: 183 total cpu time spent up to now is 311.6 secs Computing kpt #: 184 total cpu time spent up to now is 313.4 secs Computing kpt #: 185 total cpu time spent up to now is 315.0 secs Computing kpt #: 186 total cpu time spent up to now is 316.7 secs Computing kpt #: 187 total cpu time spent up to now is 318.4 secs Computing kpt #: 188 total cpu time spent up to now is 320.0 secs Computing kpt #: 189 total cpu time spent up to now is 321.7 secs Computing kpt #: 190 total cpu time spent up to now is 323.3 secs Computing kpt #: 191 total cpu time spent up to now is 324.8 secs Computing kpt #: 192 total cpu time spent up to now is 326.4 secs Computing kpt #: 193 total cpu time spent up to now is 327.9 secs Computing kpt #: 194 total cpu time spent up to now is 329.5 secs Computing kpt #: 195 total cpu time spent up to now is 331.0 secs Computing kpt #: 196 total cpu time spent up to now is 332.5 secs Computing kpt #: 197 total cpu time spent up to now is 334.0 secs Computing kpt #: 198 total cpu time spent up to now is 335.4 secs Computing kpt #: 199 total cpu time spent up to now is 336.8 secs Computing kpt #: 200 total cpu time spent up to now is 338.3 secs Computing kpt #: 201 total cpu time spent up to now is 339.7 secs Computing kpt #: 202 total cpu time spent up to now is 341.1 secs Computing kpt #: 203 total cpu time spent up to now is 342.6 secs Computing kpt #: 204 total cpu time spent up to now is 344.1 secs Computing kpt #: 205 total cpu time spent up to now is 345.7 secs Computing kpt #: 206 total cpu time spent up to now is 347.2 secs Computing kpt #: 207 total cpu time spent up to now is 348.8 secs Computing kpt #: 208 total cpu time spent up to now is 350.4 secs Computing kpt #: 209 total cpu time spent up to now is 352.0 secs Computing kpt #: 210 total cpu time spent up to now is 353.6 secs Computing kpt #: 211 total cpu time spent up to now is 355.2 secs Computing kpt #: 212 total cpu time spent up to now is 356.9 secs Computing kpt #: 213 total cpu time spent up to now is 358.5 secs Computing kpt #: 214 total cpu time spent up to now is 360.1 secs Computing kpt #: 215 total cpu time spent up to now is 361.7 secs Computing kpt #: 216 total cpu time spent up to now is 363.3 secs Computing kpt #: 217 total cpu time spent up to now is 364.8 secs Computing kpt #: 218 total cpu time spent up to now is 366.3 secs Computing kpt #: 219 total cpu time spent up to now is 367.9 secs Computing kpt #: 220 total cpu time spent up to now is 369.5 secs Computing kpt #: 221 total cpu time spent up to now is 370.9 secs Computing kpt #: 222 total cpu time spent up to now is 372.4 secs Computing kpt #: 223 total cpu time spent up to now is 374.0 secs Computing kpt #: 224 total cpu time spent up to now is 375.5 secs Computing kpt #: 225 total cpu time spent up to now is 377.0 secs Computing kpt #: 226 total cpu time spent up to now is 378.5 secs Computing kpt #: 227 total cpu time spent up to now is 380.0 secs Computing kpt #: 228 total cpu time spent up to now is 381.6 secs Computing kpt #: 229 total cpu time spent up to now is 383.1 secs Computing kpt #: 230 total cpu time spent up to now is 384.6 secs Computing kpt #: 231 total cpu time spent up to now is 386.1 secs Computing kpt #: 232 total cpu time spent up to now is 387.7 secs Computing kpt #: 233 total cpu time spent up to now is 389.2 secs Computing kpt #: 234 total cpu time spent up to now is 390.7 secs Computing kpt #: 235 total cpu time spent up to now is 392.3 secs Computing kpt #: 236 total cpu time spent up to now is 393.8 secs Computing kpt #: 237 total cpu time spent up to now is 395.3 secs Computing kpt #: 238 total cpu time spent up to now is 396.8 secs Computing kpt #: 239 total cpu time spent up to now is 398.4 secs Computing kpt #: 240 total cpu time spent up to now is 399.9 secs Computing kpt #: 241 total cpu time spent up to now is 401.3 secs Computing kpt #: 242 total cpu time spent up to now is 402.7 secs Computing kpt #: 243 total cpu time spent up to now is 404.2 secs Computing kpt #: 244 total cpu time spent up to now is 405.6 secs Computing kpt #: 245 total cpu time spent up to now is 407.0 secs Computing kpt #: 246 total cpu time spent up to now is 408.4 secs Computing kpt #: 247 total cpu time spent up to now is 409.8 secs Computing kpt #: 248 total cpu time spent up to now is 411.3 secs Computing kpt #: 249 total cpu time spent up to now is 412.7 secs Computing kpt #: 250 total cpu time spent up to now is 414.1 secs Computing kpt #: 251 total cpu time spent up to now is 415.5 secs Computing kpt #: 252 total cpu time spent up to now is 417.1 secs Computing kpt #: 253 total cpu time spent up to now is 418.6 secs Computing kpt #: 254 total cpu time spent up to now is 420.0 secs Computing kpt #: 255 total cpu time spent up to now is 421.4 secs Computing kpt #: 256 total cpu time spent up to now is 422.9 secs Computing kpt #: 257 total cpu time spent up to now is 424.4 secs Computing kpt #: 258 total cpu time spent up to now is 425.9 secs Computing kpt #: 259 total cpu time spent up to now is 427.4 secs Computing kpt #: 260 total cpu time spent up to now is 429.0 secs Computing kpt #: 261 total cpu time spent up to now is 430.5 secs Computing kpt #: 262 total cpu time spent up to now is 432.0 secs Computing kpt #: 263 total cpu time spent up to now is 433.5 secs Computing kpt #: 264 total cpu time spent up to now is 435.1 secs Computing kpt #: 265 total cpu time spent up to now is 436.6 secs Computing kpt #: 266 total cpu time spent up to now is 438.1 secs Computing kpt #: 267 total cpu time spent up to now is 439.7 secs Computing kpt #: 268 total cpu time spent up to now is 441.2 secs Computing kpt #: 269 total cpu time spent up to now is 442.7 secs Computing kpt #: 270 total cpu time spent up to now is 444.3 secs Computing kpt #: 271 total cpu time spent up to now is 445.8 secs Computing kpt #: 272 total cpu time spent up to now is 447.4 secs Computing kpt #: 273 total cpu time spent up to now is 449.0 secs Computing kpt #: 274 total cpu time spent up to now is 450.5 secs Computing kpt #: 275 total cpu time spent up to now is 452.1 secs Computing kpt #: 276 total cpu time spent up to now is 453.6 secs Computing kpt #: 277 total cpu time spent up to now is 455.2 secs Computing kpt #: 278 total cpu time spent up to now is 456.6 secs Computing kpt #: 279 total cpu time spent up to now is 458.1 secs Computing kpt #: 280 total cpu time spent up to now is 459.7 secs Computing kpt #: 281 total cpu time spent up to now is 461.2 secs Computing kpt #: 282 total cpu time spent up to now is 462.6 secs Computing kpt #: 283 total cpu time spent up to now is 464.1 secs Computing kpt #: 284 total cpu time spent up to now is 465.5 secs Computing kpt #: 285 total cpu time spent up to now is 466.9 secs Computing kpt #: 286 total cpu time spent up to now is 468.4 secs Computing kpt #: 287 total cpu time spent up to now is 469.8 secs Computing kpt #: 288 total cpu time spent up to now is 471.2 secs Computing kpt #: 289 total cpu time spent up to now is 472.6 secs Computing kpt #: 290 total cpu time spent up to now is 474.2 secs Computing kpt #: 291 total cpu time spent up to now is 475.8 secs Computing kpt #: 292 total cpu time spent up to now is 477.4 secs Computing kpt #: 293 total cpu time spent up to now is 479.1 secs Computing kpt #: 294 total cpu time spent up to now is 480.7 secs Computing kpt #: 295 total cpu time spent up to now is 482.5 secs Computing kpt #: 296 total cpu time spent up to now is 484.3 secs Computing kpt #: 297 total cpu time spent up to now is 486.2 secs Computing kpt #: 298 total cpu time spent up to now is 488.0 secs Computing kpt #: 299 total cpu time spent up to now is 489.7 secs Computing kpt #: 300 total cpu time spent up to now is 491.4 secs Computing kpt #: 301 total cpu time spent up to now is 493.1 secs Computing kpt #: 302 total cpu time spent up to now is 494.7 secs Computing kpt #: 303 total cpu time spent up to now is 496.3 secs Computing kpt #: 304 total cpu time spent up to now is 497.9 secs Computing kpt #: 305 total cpu time spent up to now is 499.4 secs Computing kpt #: 306 total cpu time spent up to now is 501.0 secs Computing kpt #: 307 total cpu time spent up to now is 502.5 secs Computing kpt #: 308 total cpu time spent up to now is 504.0 secs Computing kpt #: 309 total cpu time spent up to now is 505.5 secs Computing kpt #: 310 total cpu time spent up to now is 507.0 secs Computing kpt #: 311 total cpu time spent up to now is 508.4 secs Computing kpt #: 312 total cpu time spent up to now is 509.9 secs Computing kpt #: 313 total cpu time spent up to now is 511.3 secs Computing kpt #: 314 total cpu time spent up to now is 512.7 secs Computing kpt #: 315 total cpu time spent up to now is 514.2 secs Computing kpt #: 316 total cpu time spent up to now is 515.5 secs Computing kpt #: 317 total cpu time spent up to now is 516.9 secs Computing kpt #: 318 total cpu time spent up to now is 518.2 secs Computing kpt #: 319 total cpu time spent up to now is 519.6 secs Computing kpt #: 320 total cpu time spent up to now is 520.9 secs Computing kpt #: 321 total cpu time spent up to now is 522.2 secs Computing kpt #: 322 total cpu time spent up to now is 523.5 secs Computing kpt #: 323 total cpu time spent up to now is 524.8 secs Computing kpt #: 324 total cpu time spent up to now is 526.1 secs Computing kpt #: 325 total cpu time spent up to now is 527.3 secs Computing kpt #: 326 total cpu time spent up to now is 528.5 secs Computing kpt #: 327 total cpu time spent up to now is 529.8 secs Computing kpt #: 328 total cpu time spent up to now is 531.1 secs Computing kpt #: 329 total cpu time spent up to now is 532.2 secs Computing kpt #: 330 total cpu time spent up to now is 533.4 secs Computing kpt #: 331 total cpu time spent up to now is 534.5 secs Computing kpt #: 332 total cpu time spent up to now is 535.7 secs Computing kpt #: 333 total cpu time spent up to now is 536.8 secs Computing kpt #: 334 total cpu time spent up to now is 537.9 secs Computing kpt #: 335 total cpu time spent up to now is 539.0 secs Computing kpt #: 336 total cpu time spent up to now is 540.2 secs Computing kpt #: 337 total cpu time spent up to now is 541.4 secs Computing kpt #: 338 total cpu time spent up to now is 542.7 secs Computing kpt #: 339 total cpu time spent up to now is 543.9 secs Computing kpt #: 340 total cpu time spent up to now is 545.2 secs Computing kpt #: 341 total cpu time spent up to now is 546.4 secs Computing kpt #: 342 total cpu time spent up to now is 547.8 secs Computing kpt #: 343 total cpu time spent up to now is 549.1 secs Computing kpt #: 344 total cpu time spent up to now is 550.5 secs Computing kpt #: 345 total cpu time spent up to now is 551.8 secs Computing kpt #: 346 total cpu time spent up to now is 553.3 secs Computing kpt #: 347 total cpu time spent up to now is 554.8 secs Computing kpt #: 348 total cpu time spent up to now is 556.3 secs Computing kpt #: 349 total cpu time spent up to now is 557.9 secs Computing kpt #: 350 total cpu time spent up to now is 559.4 secs Computing kpt #: 351 total cpu time spent up to now is 561.0 secs Computing kpt #: 352 total cpu time spent up to now is 562.6 secs Computing kpt #: 353 total cpu time spent up to now is 564.3 secs Computing kpt #: 354 total cpu time spent up to now is 565.9 secs Computing kpt #: 355 total cpu time spent up to now is 567.7 secs Computing kpt #: 356 total cpu time spent up to now is 569.4 secs Computing kpt #: 357 total cpu time spent up to now is 571.2 secs Computing kpt #: 358 total cpu time spent up to now is 573.0 secs Computing kpt #: 359 total cpu time spent up to now is 574.8 secs Computing kpt #: 360 total cpu time spent up to now is 576.5 secs Computing kpt #: 361 total cpu time spent up to now is 578.1 secs Computing kpt #: 362 total cpu time spent up to now is 579.6 secs Computing kpt #: 363 total cpu time spent up to now is 581.1 secs Computing kpt #: 364 total cpu time spent up to now is 582.6 secs Computing kpt #: 365 total cpu time spent up to now is 584.1 secs Computing kpt #: 366 total cpu time spent up to now is 585.6 secs Computing kpt #: 367 total cpu time spent up to now is 587.0 secs Computing kpt #: 368 total cpu time spent up to now is 588.4 secs Computing kpt #: 369 total cpu time spent up to now is 589.9 secs Computing kpt #: 370 total cpu time spent up to now is 591.4 secs Computing kpt #: 371 total cpu time spent up to now is 593.0 secs Computing kpt #: 372 total cpu time spent up to now is 594.6 secs Computing kpt #: 373 total cpu time spent up to now is 596.3 secs Computing kpt #: 374 total cpu time spent up to now is 598.0 secs Computing kpt #: 375 total cpu time spent up to now is 599.6 secs Computing kpt #: 376 total cpu time spent up to now is 601.2 secs Computing kpt #: 377 total cpu time spent up to now is 602.8 secs Computing kpt #: 378 total cpu time spent up to now is 604.3 secs Computing kpt #: 379 total cpu time spent up to now is 605.8 secs Computing kpt #: 380 total cpu time spent up to now is 607.3 secs Computing kpt #: 381 total cpu time spent up to now is 608.9 secs Computing kpt #: 382 total cpu time spent up to now is 610.4 secs Computing kpt #: 383 total cpu time spent up to now is 611.9 secs Computing kpt #: 384 total cpu time spent up to now is 613.3 secs Computing kpt #: 385 total cpu time spent up to now is 614.8 secs Computing kpt #: 386 total cpu time spent up to now is 616.4 secs Computing kpt #: 387 total cpu time spent up to now is 617.8 secs Computing kpt #: 388 total cpu time spent up to now is 619.2 secs Computing kpt #: 389 total cpu time spent up to now is 620.6 secs Computing kpt #: 390 total cpu time spent up to now is 621.8 secs Computing kpt #: 391 total cpu time spent up to now is 623.1 secs Computing kpt #: 392 total cpu time spent up to now is 624.4 secs Computing kpt #: 393 total cpu time spent up to now is 625.6 secs Computing kpt #: 394 total cpu time spent up to now is 626.9 secs Computing kpt #: 395 total cpu time spent up to now is 628.0 secs Computing kpt #: 396 total cpu time spent up to now is 629.2 secs Computing kpt #: 397 total cpu time spent up to now is 630.3 secs Computing kpt #: 398 total cpu time spent up to now is 631.4 secs Computing kpt #: 399 total cpu time spent up to now is 632.5 secs Computing kpt #: 400 total cpu time spent up to now is 633.6 secs Computing kpt #: 401 total cpu time spent up to now is 635.0 secs Computing kpt #: 402 total cpu time spent up to now is 636.4 secs Computing kpt #: 403 total cpu time spent up to now is 637.8 secs Computing kpt #: 404 total cpu time spent up to now is 639.3 secs Computing kpt #: 405 total cpu time spent up to now is 640.8 secs Computing kpt #: 406 total cpu time spent up to now is 642.2 secs Computing kpt #: 407 total cpu time spent up to now is 643.7 secs Computing kpt #: 408 total cpu time spent up to now is 645.2 secs Computing kpt #: 409 total cpu time spent up to now is 646.7 secs Computing kpt #: 410 total cpu time spent up to now is 648.1 secs Computing kpt #: 411 total cpu time spent up to now is 649.5 secs Computing kpt #: 412 total cpu time spent up to now is 650.9 secs Computing kpt #: 413 total cpu time spent up to now is 652.5 secs Computing kpt #: 414 total cpu time spent up to now is 654.0 secs Computing kpt #: 415 total cpu time spent up to now is 655.6 secs Computing kpt #: 416 total cpu time spent up to now is 657.2 secs Computing kpt #: 417 total cpu time spent up to now is 658.7 secs Computing kpt #: 418 total cpu time spent up to now is 660.3 secs Computing kpt #: 419 total cpu time spent up to now is 661.9 secs Computing kpt #: 420 total cpu time spent up to now is 663.5 secs Computing kpt #: 421 total cpu time spent up to now is 665.0 secs Computing kpt #: 422 total cpu time spent up to now is 666.5 secs Computing kpt #: 423 total cpu time spent up to now is 668.1 secs Computing kpt #: 424 total cpu time spent up to now is 669.7 secs Computing kpt #: 425 total cpu time spent up to now is 671.3 secs Computing kpt #: 426 total cpu time spent up to now is 672.9 secs Computing kpt #: 427 total cpu time spent up to now is 674.6 secs Computing kpt #: 428 total cpu time spent up to now is 676.2 secs Computing kpt #: 429 total cpu time spent up to now is 677.8 secs Computing kpt #: 430 total cpu time spent up to now is 679.3 secs Computing kpt #: 431 total cpu time spent up to now is 680.4 secs Computing kpt #: 432 total cpu time spent up to now is 681.5 secs Computing kpt #: 433 total cpu time spent up to now is 682.6 secs Computing kpt #: 434 total cpu time spent up to now is 683.7 secs Computing kpt #: 435 total cpu time spent up to now is 684.8 secs Computing kpt #: 436 total cpu time spent up to now is 685.9 secs Computing kpt #: 437 total cpu time spent up to now is 687.0 secs Computing kpt #: 438 total cpu time spent up to now is 688.1 secs Computing kpt #: 439 total cpu time spent up to now is 689.2 secs Computing kpt #: 440 total cpu time spent up to now is 690.3 secs Computing kpt #: 441 total cpu time spent up to now is 691.4 secs Computing kpt #: 442 total cpu time spent up to now is 692.6 secs Computing kpt #: 443 total cpu time spent up to now is 693.8 secs Computing kpt #: 444 total cpu time spent up to now is 694.9 secs Computing kpt #: 445 total cpu time spent up to now is 696.0 secs Computing kpt #: 446 total cpu time spent up to now is 697.2 secs Computing kpt #: 447 total cpu time spent up to now is 698.5 secs Computing kpt #: 448 total cpu time spent up to now is 699.9 secs Computing kpt #: 449 total cpu time spent up to now is 701.1 secs Computing kpt #: 450 total cpu time spent up to now is 702.4 secs Computing kpt #: 451 total cpu time spent up to now is 703.7 secs Computing kpt #: 452 total cpu time spent up to now is 705.2 secs Computing kpt #: 453 total cpu time spent up to now is 706.7 secs Computing kpt #: 454 total cpu time spent up to now is 708.2 secs Computing kpt #: 455 total cpu time spent up to now is 709.7 secs Computing kpt #: 456 total cpu time spent up to now is 711.2 secs Computing kpt #: 457 total cpu time spent up to now is 712.8 secs Computing kpt #: 458 total cpu time spent up to now is 714.3 secs Computing kpt #: 459 total cpu time spent up to now is 715.7 secs Computing kpt #: 460 total cpu time spent up to now is 717.1 secs ethr = 2.50E-11, avg # of iterations = 30.8 total cpu time spent up to now is 717.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2877 PWs) bands (ev): -5.8027 -5.8027 -3.5420 -3.5420 -1.4743 -1.4743 -0.7667 -0.7667 3.3882 3.3882 4.9764 4.9764 5.3310 5.3310 5.9807 5.9807 6.8341 6.8341 6.9042 6.9042 7.3613 7.3613 7.4990 7.4990 7.6117 7.6117 9.4370 9.4370 9.6196 9.6196 9.9239 9.9239 10.0551 10.0551 10.2522 10.2522 10.3300 10.3300 10.5236 10.5236 12.2598 12.2598 12.4412 12.4412 13.8173 13.8173 14.0857 14.0857 k = 0.0106-0.0000-0.0000 ( 2881 PWs) bands (ev): -5.8017 -5.8017 -3.5418 -3.5418 -1.4738 -1.4738 -0.7666 -0.7666 3.3893 3.3893 4.9767 4.9767 5.3313 5.3313 5.9787 5.9787 6.8340 6.8340 6.8983 6.8983 7.3605 7.3605 7.5018 7.5018 7.6115 7.6115 9.4216 9.4216 9.6230 9.6230 9.9216 9.9216 10.0670 10.0670 10.2520 10.2520 10.3292 10.3292 10.5246 10.5246 12.2619 12.2619 12.4416 12.4416 13.8168 13.8168 14.0838 14.0838 k = 0.0213-0.0000-0.0000 ( 2879 PWs) bands (ev): -5.7988 -5.7988 -3.5414 -3.5414 -1.4724 -1.4724 -0.7662 -0.7662 3.3927 3.3927 4.9776 4.9776 5.3322 5.3322 5.9727 5.9727 6.8338 6.8338 6.8808 6.8808 7.3584 7.3584 7.5101 7.5101 7.6109 7.6109 9.3788 9.3788 9.6330 9.6330 9.9148 9.9148 10.0990 10.0990 10.2516 10.2516 10.3271 10.3271 10.5279 10.5279 12.2680 12.2680 12.4427 12.4427 13.8153 13.8153 14.0782 14.0782 k = 0.0319-0.0000-0.0000 ( 2879 PWs) bands (ev): -5.7939 -5.7939 -3.5406 -3.5406 -1.4699 -1.4699 -0.7655 -0.7655 3.3985 3.3985 4.9790 4.9790 5.3336 5.3336 5.9629 5.9629 6.8333 6.8333 6.8522 6.8522 7.3550 7.3550 7.5238 7.5238 7.6097 7.6097 9.3155 9.3155 9.6491 9.6491 9.9037 9.9037 10.1437 10.1437 10.2517 10.2517 10.3236 10.3236 10.5335 10.5335 12.2780 12.2780 12.4445 12.4445 13.8125 13.8125 14.0689 14.0689 k = 0.0426-0.0000-0.0000 ( 2881 PWs) bands (ev): -5.7871 -5.7871 -3.5396 -3.5396 -1.4664 -1.4664 -0.7647 -0.7647 3.4065 3.4065 4.9809 4.9809 5.3355 5.3355 5.9496 5.9496 6.8134 6.8134 6.8327 6.8327 7.3503 7.3503 7.5427 7.5427 7.6079 7.6079 9.2382 9.2382 9.6701 9.6701 9.8887 9.8887 10.1908 10.1908 10.2551 10.2551 10.3199 10.3199 10.5414 10.5414 12.2917 12.2917 12.4470 12.4470 13.8078 13.8078 14.0562 14.0562 k = 0.0532-0.0000-0.0000 ( 2881 PWs) bands (ev): -5.7783 -5.7783 -3.5383 -3.5383 -1.4620 -1.4620 -0.7635 -0.7635 3.4167 3.4167 4.9831 4.9831 5.3379 5.3379 5.9330 5.9330 6.7657 6.7657 6.8317 6.8317 7.3444 7.3444 7.5664 7.5664 7.6052 7.6052 9.1513 9.1513 9.6952 9.6952 9.8703 9.8703 10.2204 10.2204 10.2727 10.2727 10.3206 10.3206 10.5516 10.5516 12.3085 12.3085 12.4503 12.4503 13.8005 13.8005 14.0401 14.0401 k = 0.0638-0.0000-0.0000 ( 2889 PWs) bands (ev): -5.7677 -5.7677 -3.5368 -3.5368 -1.4566 -1.4566 -0.7622 -0.7622 3.4292 3.4292 4.9856 4.9856 5.3407 5.3407 5.9135 5.9135 6.7102 6.7102 6.8306 6.8306 7.3373 7.3373 7.5942 7.5942 7.6018 7.6018 9.0577 9.0577 9.7227 9.7227 9.8493 9.8493 10.2254 10.2254 10.2863 10.2863 10.3479 10.3479 10.5643 10.5643 12.3281 12.3281 12.4543 12.4543 13.7894 13.7894 14.0210 14.0210 k = 0.0745-0.0000-0.0000 ( 2885 PWs) bands (ev): -5.7551 -5.7551 -3.5351 -3.5351 -1.4503 -1.4503 -0.7606 -0.7606 3.4438 3.4438 4.9882 4.9882 5.3438 5.3438 5.8915 5.8915 6.6485 6.6485 6.8291 6.8291 7.3293 7.3293 7.5961 7.5961 7.6271 7.6271 8.9595 8.9595 9.7506 9.7506 9.8274 9.8274 10.2223 10.2223 10.2814 10.2814 10.3987 10.3987 10.5794 10.5794 12.3499 12.3499 12.4591 12.4591 13.7725 13.7725 13.9992 13.9992 k = 0.0851-0.0000-0.0000 ( 2877 PWs) bands (ev): -5.7406 -5.7406 -3.5332 -3.5332 -1.4430 -1.4430 -0.7588 -0.7588 3.4607 3.4607 4.9905 4.9905 5.3471 5.3471 5.8674 5.8674 6.5820 6.5820 6.8272 6.8272 7.3203 7.3203 7.5896 7.5896 7.6629 7.6629 8.8581 8.8581 9.7716 9.7716 9.8116 9.8116 10.2163 10.2163 10.2715 10.2715 10.4528 10.4528 10.5970 10.5970 12.3735 12.3735 12.4646 12.4646 13.7477 13.7477 13.9751 13.9751 k = 0.0957-0.0000-0.0000 ( 2882 PWs) bands (ev): -5.7242 -5.7242 -3.5313 -3.5313 -1.4348 -1.4348 -0.7568 -0.7568 3.4796 3.4796 4.9923 4.9923 5.3504 5.3504 5.8417 5.8417 6.5121 6.5121 6.8250 6.8250 7.3103 7.3103 7.5815 7.5815 7.7020 7.7020 8.7543 8.7543 9.7627 9.7627 9.8242 9.8242 10.2079 10.2079 10.2598 10.2598 10.5055 10.5055 10.6170 10.6170 12.3981 12.3981 12.4709 12.4709 13.7126 13.7126 13.9490 13.9490 k = 0.1064-0.0000-0.0000 ( 2882 PWs) bands (ev): -5.7059 -5.7059 -3.5293 -3.5293 -1.4258 -1.4258 -0.7547 -0.7547 3.5006 3.5006 4.9933 4.9933 5.3536 5.3536 5.8145 5.8145 6.4403 6.4403 6.8222 6.8222 7.2992 7.2992 7.5718 7.5718 7.7438 7.7438 8.6490 8.6490 9.7391 9.7391 9.8502 9.8502 10.1973 10.1973 10.2472 10.2472 10.5550 10.5550 10.6397 10.6397 12.4232 12.4232 12.4782 12.4782 13.6660 13.6660 13.9213 13.9213 k = 0.1170-0.0000-0.0000 ( 2882 PWs) bands (ev): -5.6858 -5.6858 -3.5273 -3.5273 -1.4158 -1.4158 -0.7524 -0.7524 3.5236 3.5236 4.9930 4.9930 5.3565 5.3565 5.7865 5.7865 6.3681 6.3681 6.8188 6.8188 7.2869 7.2869 7.5605 7.5605 7.7880 7.7880 8.5430 8.5430 9.7137 9.7137 9.8768 9.8768 10.1841 10.1841 10.2345 10.2345 10.6000 10.6000 10.6652 10.6652 12.4478 12.4478 12.4870 12.4870 13.6085 13.6085 13.8925 13.8925 k = 0.1277-0.0000-0.0000 ( 2892 PWs) bands (ev): -5.6639 -5.6639 -3.5255 -3.5255 -1.4050 -1.4050 -0.7500 -0.7500 3.5485 3.5485 4.9910 4.9910 5.3590 5.3590 5.7577 5.7577 6.2968 6.2968 6.8148 6.8148 7.2731 7.2731 7.5477 7.5477 7.8342 7.8342 8.4368 8.4368 9.6885 9.6885 9.9018 9.9018 10.1682 10.1682 10.2220 10.2220 10.6393 10.6393 10.6941 10.6941 12.4696 12.4696 12.4988 12.4988 13.5420 13.5420 13.8627 13.8627 k = 0.1383-0.0000-0.0000 ( 2886 PWs) bands (ev): -5.6402 -5.6402 -3.5237 -3.5237 -1.3934 -1.3934 -0.7474 -0.7474 3.5752 3.5752 4.9867 4.9867 5.3607 5.3607 5.7286 5.7286 6.2280 6.2280 6.8099 6.8099 7.2576 7.2576 7.5339 7.5339 7.8821 7.8821 8.3311 8.3311 9.6646 9.6646 9.9246 9.9246 10.1499 10.1499 10.2100 10.2100 10.6727 10.6727 10.7262 10.7262 12.4862 12.4862 12.5161 12.5161 13.4691 13.4691 13.8320 13.8320 k = 0.1489-0.0000-0.0000 ( 2886 PWs) bands (ev): -5.6148 -5.6148 -3.5222 -3.5222 -1.3810 -1.3810 -0.7448 -0.7448 3.6036 3.6036 4.9794 4.9794 5.3616 5.3616 5.6994 5.6994 6.1631 6.1631 6.8042 6.8042 7.2395 7.2395 7.5194 7.5194 7.9313 7.9313 8.2265 8.2265 9.6423 9.6423 9.9445 9.9445 10.1297 10.1297 10.1980 10.1980 10.7012 10.7012 10.7595 10.7595 12.4981 12.4981 12.5377 12.5377 13.3922 13.3922 13.8006 13.8006 k = 0.1596-0.0000-0.0000 ( 2890 PWs) bands (ev): -5.5875 -5.5875 -3.5210 -3.5210 -1.3678 -1.3678 -0.7421 -0.7421 3.6337 3.6337 4.9686 4.9686 5.3612 5.3612 5.6703 5.6703 6.1033 6.1033 6.7974 6.7974 7.2186 7.2186 7.5050 7.5050 7.9811 7.9811 8.1239 8.1239 9.6222 9.6222 9.9610 9.9610 10.1085 10.1085 10.1861 10.1861 10.7263 10.7263 10.7921 10.7921 12.5081 12.5081 12.5605 12.5605 13.3129 13.3129 13.7687 13.7687 k = 0.1702-0.0000-0.0000 ( 2892 PWs) bands (ev): -5.5586 -5.5586 -3.5202 -3.5202 -1.3539 -1.3539 -0.7394 -0.7394 3.6651 3.6651 4.9537 4.9537 5.3593 5.3593 5.6416 5.6416 6.0500 6.0500 6.7895 6.7895 7.1941 7.1941 7.4912 7.4912 8.0138 8.0138 8.0412 8.0412 9.6046 9.6046 9.9726 9.9726 10.0880 10.0880 10.1742 10.1742 10.7488 10.7488 10.8227 10.8227 12.5173 12.5173 12.5830 12.5830 13.2327 13.2327 13.7365 13.7365 k = 0.1809-0.0000-0.0000 ( 2894 PWs) bands (ev): -5.5280 -5.5280 -3.5199 -3.5199 -1.3393 -1.3393 -0.7367 -0.7367 3.6977 3.6977 4.9344 4.9344 5.3555 5.3555 5.6135 5.6135 6.0041 6.0041 6.7801 6.7801 7.1656 7.1656 7.4789 7.4789 7.9224 7.9224 8.0857 8.0857 9.5896 9.5896 9.9766 9.9766 10.0715 10.0715 10.1621 10.1621 10.7691 10.7691 10.8506 10.8506 12.5263 12.5263 12.6045 12.6045 13.1527 13.1527 13.7040 13.7040 k = 0.1915-0.0000-0.0000 ( 2888 PWs) bands (ev): -5.4958 -5.4958 -3.5202 -3.5202 -1.3241 -1.3241 -0.7340 -0.7340 3.7312 3.7312 4.9107 4.9107 5.3495 5.3495 5.5861 5.5861 5.9663 5.9663 6.7693 6.7693 7.1327 7.1327 7.4686 7.4686 7.8278 7.8278 8.1370 8.1370 9.5774 9.5774 9.9690 9.9690 10.0634 10.0634 10.1498 10.1498 10.7870 10.7870 10.8757 10.8757 12.5351 12.5351 12.6249 12.6249 13.0739 13.0739 13.6714 13.6714 k = 0.2021-0.0000-0.0000 ( 2884 PWs) bands (ev): -5.4620 -5.4620 -3.5212 -3.5212 -1.3082 -1.3082 -0.7313 -0.7313 3.7654 3.7654 4.8830 4.8830 5.3410 5.3410 5.5596 5.5596 5.9371 5.9371 6.7567 6.7567 7.0952 7.0952 7.4607 7.4607 7.7368 7.7368 8.1884 8.1884 9.5678 9.5678 9.9497 9.9497 10.0637 10.0637 10.1374 10.1374 10.8024 10.8024 10.8977 10.8977 12.5437 12.5437 12.6438 12.6438 12.9970 12.9970 13.6386 13.6386 k = 0.2128-0.0000-0.0000 ( 2882 PWs) bands (ev): -5.4267 -5.4267 -3.5230 -3.5230 -1.2918 -1.2918 -0.7288 -0.7288 3.7997 3.7997 4.8518 4.8518 5.3297 5.3297 5.5342 5.5342 5.9163 5.9163 6.7423 6.7423 7.0534 7.0534 7.4554 7.4554 7.6502 7.6502 8.2393 8.2393 9.5610 9.5610 9.9230 9.9230 10.0689 10.0689 10.1250 10.1250 10.8152 10.8152 10.9165 10.9165 12.5520 12.5520 12.6612 12.6612 12.9227 12.9227 13.6058 13.6058 k = 0.2234-0.0000-0.0000 ( 2886 PWs) bands (ev): -5.3899 -5.3899 -3.5256 -3.5256 -1.2748 -1.2748 -0.7263 -0.7263 3.8337 3.8337 4.8186 4.8186 5.3150 5.3150 5.5100 5.5100 5.9036 5.9036 6.7257 6.7257 7.0073 7.0073 7.4526 7.4526 7.5687 7.5687 8.2894 8.2894 9.5566 9.5566 9.8921 9.8921 10.0758 10.0758 10.1128 10.1128 10.8254 10.8254 10.9322 10.9322 12.5600 12.5600 12.6768 12.6768 12.8518 12.8518 13.5729 13.5729 k = 0.2340-0.0000-0.0000 ( 2888 PWs) bands (ev): -5.3516 -5.3516 -3.5293 -3.5293 -1.2574 -1.2574 -0.7241 -0.7241 3.8667 3.8667 4.7847 4.7847 5.2967 5.2967 5.4871 5.4871 5.8984 5.8984 6.7068 6.7068 6.9576 6.9576 7.4513 7.4513 7.4936 7.4936 8.3382 8.3382 9.5546 9.5546 9.8588 9.8588 10.0822 10.0822 10.1015 10.1015 10.8329 10.8329 10.9448 10.9448 12.5675 12.5675 12.6896 12.6896 12.7859 12.7859 13.5398 13.5398 k = 0.2447-0.0000-0.0000 ( 2894 PWs) bands (ev): -5.3120 -5.3120 -3.5341 -3.5341 -1.2395 -1.2395 -0.7220 -0.7220 3.8979 3.8979 4.7521 4.7521 5.2745 5.2745 5.4656 5.4656 5.8998 5.8998 6.6856 6.6856 6.9046 6.9046 7.4186 7.4186 7.4583 7.4583 8.3855 8.3855 9.5547 9.5547 9.8243 9.8243 10.0823 10.0823 10.0968 10.0968 10.8377 10.8377 10.9543 10.9543 12.5743 12.5743 12.6899 12.6899 12.7353 12.7353 13.5064 13.5064 k = 0.2553-0.0000-0.0000 ( 2898 PWs) bands (ev): -5.2710 -5.2710 -3.5401 -3.5401 -1.2213 -1.2213 -0.7202 -0.7202 3.9262 3.9262 4.7227 4.7227 5.2482 5.2482 5.4457 5.4457 5.9071 5.9071 6.6620 6.6620 6.8490 6.8490 7.3552 7.3552 7.4620 7.4620 8.4307 8.4307 9.5568 9.5568 9.7889 9.7889 10.0728 10.0728 10.1017 10.1017 10.8398 10.8398 10.9607 10.9607 12.5796 12.5796 12.6497 12.6497 12.7296 12.7296 13.4728 13.4728 k = 0.2660-0.0000-0.0000 ( 2896 PWs) bands (ev): -5.2287 -5.2287 -3.5474 -3.5474 -1.2027 -1.2027 -0.7187 -0.7187 3.9505 3.9505 4.6987 4.6987 5.2175 5.2175 5.4274 5.4274 5.9195 5.9195 6.6361 6.6361 6.7911 6.7911 7.2967 7.2967 7.4692 7.4692 8.4733 8.4733 9.5605 9.5605 9.7536 9.7536 10.0617 10.0617 10.1083 10.1083 10.8392 10.8392 10.9641 10.9641 12.5749 12.5749 12.6073 12.6073 12.7390 12.7390 13.4389 13.4389 k = 0.2766-0.0000-0.0000 ( 2900 PWs) bands (ev): -5.1853 -5.1853 -3.5561 -3.5561 -1.1839 -1.1839 -0.7174 -0.7174 3.9695 3.9695 4.6819 4.6819 5.1824 5.1824 5.4109 5.4109 5.9363 5.9363 6.6078 6.6078 6.7315 6.7315 7.2439 7.2439 7.4788 7.4788 8.5127 8.5127 9.5656 9.5656 9.7189 9.7189 10.0509 10.0509 10.1151 10.1151 10.8362 10.8362 10.9646 10.9646 12.5361 12.5361 12.6008 12.6008 12.7497 12.7497 13.4033 13.4033 k = 0.2872-0.0000-0.0000 ( 2900 PWs) bands (ev): -5.1407 -5.1407 -3.5663 -3.5663 -1.1648 -1.1648 -0.7165 -0.7165 3.9824 3.9824 4.6743 4.6743 5.1430 5.1430 5.3963 5.3963 5.9568 5.9568 6.5775 6.5775 6.6707 6.6707 7.1964 7.1964 7.4906 7.4906 8.5483 8.5483 9.5717 9.5717 9.6856 9.6856 10.0406 10.0406 10.1215 10.1215 10.8308 10.8308 10.9623 10.9623 12.4906 12.4906 12.6046 12.6046 12.7605 12.7605 13.3401 13.3401 k = 0.2979-0.0000-0.0000 ( 2904 PWs) bands (ev): -5.0951 -5.0951 -3.5782 -3.5782 -1.1456 -1.1456 -0.7160 -0.7160 3.9886 3.9886 4.6767 4.6767 5.0994 5.0994 5.3835 5.3835 5.9805 5.9805 6.5450 6.5450 6.6093 6.6093 7.1538 7.1538 7.5046 7.5046 8.5793 8.5793 9.5783 9.5783 9.6547 9.6547 10.0311 10.0311 10.1278 10.1278 10.8232 10.8232 10.9570 10.9570 12.4482 12.4482 12.6093 12.6093 12.7711 12.7711 13.2775 13.2775 k = 0.3085-0.0000-0.0000 ( 2900 PWs) bands (ev): -5.0485 -5.0485 -3.5917 -3.5917 -1.1262 -1.1262 -0.7159 -0.7159 3.9884 3.9884 4.6893 4.6893 5.0519 5.0519 5.3728 5.3728 6.0069 6.0069 6.5100 6.5100 6.5485 6.5485 7.1156 7.1156 7.5208 7.5208 8.6050 8.6050 9.5844 9.5844 9.6279 9.6279 10.0227 10.0227 10.1338 10.1338 10.8135 10.8135 10.9493 10.9493 12.4103 12.4103 12.6138 12.6138 12.7816 12.7816 13.2178 13.2178 k = 0.3191-0.0000-0.0000 ( 2900 PWs) bands (ev): -5.0010 -5.0010 -3.6070 -3.6070 -1.1068 -1.1068 -0.7163 -0.7163 3.9829 3.9829 4.7117 4.7117 5.0008 5.0008 5.3642 5.3642 6.0355 6.0355 6.4684 6.4684 6.4927 6.4927 7.0811 7.0811 7.5390 7.5390 8.6246 8.6246 9.5843 9.5843 9.6111 9.6111 10.0154 10.0154 10.1395 10.1395 10.8019 10.8019 10.9390 10.9390 12.3770 12.3770 12.6181 12.6181 12.7920 12.7920 13.1611 13.1611 k = 0.3298-0.0000-0.0000 ( 2908 PWs) bands (ev): -4.9527 -4.9527 -3.6241 -3.6241 -1.0874 -1.0874 -0.7171 -0.7171 3.9734 3.9734 4.7426 4.7426 4.9468 4.9468 5.3578 5.3578 6.0660 6.0660 6.4134 6.4134 6.4490 6.4490 7.0496 7.0496 7.5593 7.5593 8.6374 8.6374 9.5712 9.5712 9.6116 9.6116 10.0094 10.0094 10.1449 10.1449 10.7887 10.7887 10.9263 10.9263 12.3483 12.3483 12.6220 12.6220 12.8019 12.8019 13.1077 13.1077 k = 0.3404-0.0000-0.0000 ( 2904 PWs) bands (ev): -4.9036 -4.9036 -3.6431 -3.6431 -1.0680 -1.0680 -0.7185 -0.7185 3.9616 3.9616 4.7804 4.7804 4.8905 4.8905 5.3536 5.3536 6.0982 6.0982 6.3529 6.3529 6.4102 6.4102 7.0206 7.0206 7.5815 7.5815 8.6428 8.6428 9.5567 9.5567 9.6186 9.6186 10.0048 10.0048 10.1501 10.1501 10.7741 10.7741 10.9116 10.9116 12.3247 12.3247 12.6257 12.6257 12.8114 12.8114 13.0577 13.0577 k = 0.3511-0.0000-0.0000 ( 2904 PWs) bands (ev): -4.8540 -4.8540 -3.6640 -3.6640 -1.0488 -1.0488 -0.7204 -0.7204 3.9491 3.9491 4.8170 4.8170 4.8393 4.8393 5.3517 5.3517 6.1315 6.1315 6.2917 6.2917 6.3714 6.3714 6.9935 6.9935 7.6057 7.6057 8.6406 8.6406 9.5460 9.5460 9.6267 9.6267 10.0018 10.0018 10.1548 10.1548 10.7583 10.7583 10.8949 10.8949 12.3058 12.3058 12.6290 12.6290 12.8198 12.8198 13.0111 13.0111 k = 0.3617-0.0000-0.0000 ( 2900 PWs) bands (ev): -4.8038 -4.8038 -3.6869 -3.6869 -1.0297 -1.0297 -0.7230 -0.7230 3.9369 3.9369 4.7693 4.7693 4.8757 4.8757 5.3522 5.3522 6.1656 6.1656 6.2311 6.2311 6.3320 6.3320 6.9678 6.9678 7.6319 7.6319 8.6308 8.6308 9.5401 9.5401 9.6348 9.6348 10.0004 10.0004 10.1592 10.1592 10.7418 10.7418 10.8765 10.8765 12.2917 12.2917 12.6320 12.6320 12.8262 12.8262 12.9681 12.9681 k = 0.3723-0.0000-0.0000 ( 2896 PWs) bands (ev): -4.7531 -4.7531 -3.7117 -3.7117 -1.0108 -1.0108 -0.7261 -0.7261 3.9263 3.9263 4.7087 4.7087 4.9278 4.9278 5.3551 5.3551 6.1699 6.1699 6.2012 6.2012 6.2919 6.2919 6.9432 6.9432 7.6600 7.6600 8.6138 8.6138 9.5389 9.5389 9.6426 9.6426 10.0008 10.0008 10.1631 10.1631 10.7248 10.7248 10.8568 10.8568 12.2824 12.2824 12.6349 12.6349 12.8292 12.8292 12.9285 12.9285 k = 0.3830-0.0000-0.0000 ( 2904 PWs) bands (ev): -4.7022 -4.7022 -3.7386 -3.7386 -0.9922 -0.9922 -0.7299 -0.7299 3.9180 3.9180 4.6474 4.6474 4.9833 4.9833 5.3604 5.3604 6.1117 6.1117 6.2283 6.2283 6.2577 6.2577 6.9191 6.9191 7.6900 7.6900 8.5902 8.5902 9.5419 9.5419 9.6498 9.6498 10.0029 10.0029 10.1663 10.1663 10.7075 10.7075 10.8360 10.8360 12.2776 12.2776 12.6375 12.6375 12.8268 12.8268 12.8924 12.8924 k = 0.3936-0.0000-0.0000 ( 2910 PWs) bands (ev): -4.6510 -4.6510 -3.7674 -3.7674 -0.9740 -0.9740 -0.7344 -0.7344 3.9126 3.9126 4.5861 4.5861 5.0412 5.0412 5.3682 5.3682 6.0544 6.0544 6.2003 6.2003 6.2780 6.2780 6.8953 6.8953 7.7218 7.7218 8.5608 8.5608 9.5482 9.5482 9.6562 9.6562 10.0068 10.0068 10.1688 10.1688 10.6905 10.6905 10.8145 10.8145 12.2774 12.2774 12.6400 12.6400 12.8169 12.8169 12.8598 12.8598 k = 0.4043-0.0000-0.0000 ( 2898 PWs) bands (ev): -4.5997 -4.5997 -3.7982 -3.7982 -0.9561 -0.9561 -0.7396 -0.7396 3.9106 3.9106 4.5255 4.5255 5.1009 5.1009 5.3786 5.3786 5.9986 5.9986 6.1557 6.1557 6.3134 6.3134 6.8716 6.8716 7.7554 7.7554 8.5267 8.5267 9.5573 9.5573 9.6618 9.6618 10.0124 10.0124 10.1704 10.1704 10.6746 10.6746 10.7925 10.7925 12.2815 12.2815 12.6426 12.6426 12.7983 12.7983 12.8312 12.8312 k = 0.4149-0.0000-0.0000 ( 2898 PWs) bands (ev): -4.5485 -4.5485 -3.8309 -3.8309 -0.9387 -0.9387 -0.7454 -0.7454 3.9123 3.9123 4.4660 4.4660 5.1621 5.1621 5.3916 5.3916 5.9445 5.9445 6.1085 6.1085 6.3497 6.3497 6.8475 6.8475 7.7907 7.7907 8.4887 8.4887 9.5681 9.5681 9.6663 9.6663 10.0196 10.0196 10.1708 10.1708 10.6597 10.6597 10.7704 10.7704 12.2898 12.2898 12.6452 12.6452 12.7717 12.7717 12.8063 12.8063 k = 0.4255-0.0000-0.0000 ( 2902 PWs) bands (ev): -4.4974 -4.4974 -3.8655 -3.8655 -0.9217 -0.9217 -0.7520 -0.7520 3.9179 3.9179 4.4080 4.4080 5.2241 5.2241 5.4073 5.4073 5.8923 5.8923 6.0592 6.0592 6.3861 6.3861 6.8230 6.8230 7.8277 7.8277 8.4476 8.4476 9.5801 9.5801 9.6696 9.6696 10.0285 10.0285 10.1698 10.1698 10.6465 10.6465 10.7486 10.7486 12.3021 12.3021 12.6477 12.6477 12.7400 12.7400 12.7840 12.7840 k = 0.4362-0.0000-0.0000 ( 2902 PWs) bands (ev): -4.4465 -4.4465 -3.9019 -3.9019 -0.9052 -0.9052 -0.7594 -0.7594 3.9277 3.9277 4.3520 4.3520 5.2868 5.2868 5.4256 5.4256 5.8421 5.8421 6.0079 6.0079 6.4224 6.4224 6.7978 6.7978 7.8663 7.8663 8.4042 8.4042 9.5925 9.5925 9.6717 9.6717 10.0387 10.0387 10.1673 10.1673 10.6355 10.6355 10.7274 10.7274 12.3182 12.3182 12.6500 12.6500 12.7058 12.7058 12.7639 12.7639 k = 0.4468-0.0000-0.0000 ( 2900 PWs) bands (ev): -4.3961 -4.3961 -3.9401 -3.9401 -0.8893 -0.8893 -0.7675 -0.7675 3.9416 3.9416 4.2981 4.2981 5.3496 5.3496 5.4467 5.4467 5.7940 5.7940 5.9549 5.9549 6.4583 6.4583 6.7718 6.7718 7.9064 7.9064 8.3591 8.3591 9.6050 9.6050 9.6726 9.6726 10.0501 10.0501 10.1630 10.1630 10.6272 10.6272 10.7072 10.7072 12.3380 12.3380 12.6491 12.6491 12.6734 12.6734 12.7459 12.7459 k = 0.4574-0.0000-0.0000 ( 2896 PWs) bands (ev): -4.3461 -4.3461 -3.9799 -3.9799 -0.8740 -0.8740 -0.7764 -0.7764 3.9597 3.9597 4.2469 4.2469 5.4120 5.4120 5.4710 5.4710 5.7481 5.7481 5.9002 5.9002 6.4936 6.4936 6.7450 6.7450 7.9480 7.9480 8.3130 8.3130 9.6170 9.6170 9.6720 9.6720 10.0626 10.0626 10.1569 10.1569 10.6218 10.6218 10.6882 10.6882 12.3610 12.3610 12.6254 12.6254 12.6634 12.6634 12.7301 12.7301 k = 0.4681-0.0000-0.0000 ( 2904 PWs) bands (ev): -4.2968 -4.2968 -4.0213 -4.0213 -0.8594 -0.8594 -0.7860 -0.7860 3.9820 3.9820 4.1986 4.1986 5.4716 5.4716 5.5003 5.5003 5.7046 5.7046 5.8439 5.8439 6.5283 6.5283 6.7171 6.7171 7.9908 7.9908 8.2662 8.2662 9.6282 9.6282 9.6700 9.6700 10.0757 10.0757 10.1489 10.1489 10.6195 10.6195 10.6709 10.6709 12.3871 12.3871 12.5892 12.5892 12.6664 12.6664 12.7163 12.7163 k = 0.4787-0.0000-0.0000 ( 2908 PWs) bands (ev): -4.2482 -4.2482 -4.0642 -4.0642 -0.8454 -0.8454 -0.7964 -0.7964 4.0084 4.0084 4.1534 4.1534 5.5172 5.5172 5.5456 5.5456 5.6638 5.6638 5.7862 5.7862 6.5622 6.5622 6.6882 6.6882 8.0348 8.0348 8.2192 8.2192 9.6384 9.6384 9.6665 9.6665 10.0892 10.0892 10.1392 10.1392 10.6206 10.6206 10.6556 10.6556 12.4160 12.4160 12.5522 12.5522 12.6714 12.6714 12.7043 12.7043 k = 0.4894-0.0000-0.0000 ( 2910 PWs) bands (ev): -4.2006 -4.2006 -4.1084 -4.1084 -0.8321 -0.8321 -0.8076 -0.8076 4.0389 4.0389 4.1116 4.1116 5.5513 5.5513 5.5999 5.5999 5.6295 5.6295 5.7274 5.7274 6.5952 6.5952 6.6582 6.6582 8.0798 8.0798 8.1722 8.1722 9.6475 9.6475 9.6616 9.6616 10.1026 10.1026 10.1280 10.1280 10.6249 10.6249 10.6426 10.6426 12.4473 12.4473 12.5158 12.5158 12.6777 12.6777 12.6940 12.6940 k = 0.5000-0.0000-0.0000 ( 2906 PWs) bands (ev): -4.1539 -4.1539 -4.1539 -4.1539 -0.8195 -0.8195 -0.8194 -0.8194 4.0734 4.0734 4.0734 4.0734 5.5851 5.5851 5.5851 5.5851 5.6682 5.6682 5.6682 5.6682 6.6271 6.6271 6.6273 6.6273 8.1257 8.1257 8.1258 8.1258 9.6551 9.6551 9.6553 9.6553 10.1155 10.1155 10.1159 10.1159 10.6321 10.6321 10.6326 10.6326 12.4805 12.4805 12.4809 12.4809 12.6850 12.6850 12.6853 12.6853 k = 0.5000-0.0000-0.0000 ( 2906 PWs) bands (ev): -4.1539 -4.1539 -4.1539 -4.1539 -0.8195 -0.8195 -0.8194 -0.8194 4.0734 4.0734 4.0734 4.0734 5.5851 5.5851 5.5851 5.5851 5.6682 5.6682 5.6682 5.6682 6.6271 6.6271 6.6273 6.6273 8.1257 8.1257 8.1258 8.1258 9.6551 9.6551 9.6553 9.6553 10.1155 10.1155 10.1159 10.1159 10.6321 10.6321 10.6326 10.6326 12.4805 12.4805 12.4809 12.4809 12.6850 12.6850 12.6853 12.6853 k = 0.5000 0.0106-0.0000 ( 2906 PWs) bands (ev): -4.1534 -4.1534 -4.1533 -4.1533 -0.8208 -0.8208 -0.8203 -0.8203 4.0738 4.0738 4.0741 4.0741 5.5466 5.5466 5.5668 5.5668 5.6885 5.6885 5.7086 5.7086 6.6253 6.6253 6.6256 6.6256 8.1246 8.1246 8.1252 8.1252 9.6512 9.6512 9.6554 9.6554 10.1154 10.1154 10.1169 10.1169 10.6315 10.6315 10.6337 10.6337 12.4753 12.4753 12.4826 12.4826 12.6821 12.6821 12.6918 12.6918 k = 0.5000 0.0212-0.0000 ( 2906 PWs) bands (ev): -4.1516 -4.1516 -4.1516 -4.1516 -0.8245 -0.8245 -0.8234 -0.8234 4.0753 4.0753 4.0759 4.0759 5.4961 5.4961 5.5193 5.5193 5.7420 5.7420 5.7649 5.7649 6.6202 6.6202 6.6206 6.6206 8.1220 8.1220 8.1231 8.1231 9.6436 9.6436 9.6520 9.6520 10.1159 10.1159 10.1188 10.1188 10.6313 10.6313 10.6355 10.6355 12.4671 12.4671 12.4808 12.4808 12.6827 12.6827 12.7011 12.7011 k = 0.5000 0.0318-0.0000 ( 2908 PWs) bands (ev): -4.1488 -4.1488 -4.1488 -4.1488 -0.8303 -0.8303 -0.8287 -0.8287 4.0779 4.0779 4.0787 4.0787 5.4457 5.4457 5.4697 5.4697 5.8012 5.8012 5.8248 5.8248 6.6119 6.6119 6.6126 6.6126 8.1176 8.1176 8.1192 8.1192 9.6327 9.6327 9.6452 9.6452 10.1171 10.1171 10.1215 10.1215 10.6316 10.6316 10.6377 10.6377 12.4569 12.4569 12.4757 12.4757 12.6869 12.6869 12.7124 12.7124 k = 0.5000 0.0424-0.0000 ( 2904 PWs) bands (ev): -4.1448 -4.1448 -4.1448 -4.1448 -0.8384 -0.8384 -0.8362 -0.8362 4.0815 4.0815 4.0826 4.0826 5.3977 5.3977 5.4219 5.4219 5.8619 5.8619 5.8856 5.8856 6.6010 6.6010 6.6019 6.6019 8.1114 8.1114 8.1134 8.1134 9.6190 9.6190 9.6356 9.6356 10.1190 10.1190 10.1250 10.1250 10.6324 10.6324 10.6404 10.6404 12.4453 12.4453 12.4678 12.4678 12.6938 12.6938 12.7247 12.7247 k = 0.5000 0.0529-0.0000 ( 2904 PWs) bands (ev): -4.1397 -4.1397 -4.1396 -4.1396 -0.8486 -0.8486 -0.8459 -0.8459 4.0862 4.0862 4.0875 4.0875 5.3527 5.3527 5.3769 5.3769 5.9222 5.9222 5.9459 5.9459 6.5881 6.5881 6.5894 6.5894 8.1030 8.1030 8.1053 8.1053 9.6030 9.6030 9.6237 9.6237 10.1216 10.1216 10.1291 10.1291 10.6336 10.6336 10.6433 10.6433 12.4329 12.4329 12.4580 12.4580 12.7025 12.7025 12.7373 12.7373 k = 0.5000 0.0635-0.0000 ( 2894 PWs) bands (ev): -4.1335 -4.1335 -4.1334 -4.1334 -0.8608 -0.8608 -0.8576 -0.8576 4.0920 4.0920 4.0934 4.0934 5.3113 5.3113 5.3354 5.3354 5.9805 5.9805 6.0042 6.0042 6.5744 6.5744 6.5762 6.5762 8.0922 8.0922 8.0946 8.0946 9.5857 9.5857 9.6103 9.6103 10.1247 10.1247 10.1338 10.1338 10.6353 10.6353 10.6465 10.6465 12.4203 12.4203 12.4472 12.4472 12.7124 12.7124 12.7498 12.7498 k = 0.5000 0.0741-0.0000 ( 2886 PWs) bands (ev): -4.1262 -4.1262 -4.1262 -4.1262 -0.8751 -0.8751 -0.8714 -0.8714 4.0986 4.0986 4.1001 4.1001 5.2738 5.2738 5.2976 5.2976 6.0350 6.0350 6.0584 6.0584 6.5617 6.5617 6.5639 6.5639 8.0785 8.0785 8.0810 8.0810 9.5679 9.5679 9.5963 9.5963 10.1283 10.1283 10.1391 10.1391 10.6372 10.6372 10.6497 10.6497 12.4077 12.4077 12.4357 12.4357 12.7229 12.7229 12.7617 12.7617 k = 0.5000 0.0847-0.0000 ( 2894 PWs) bands (ev): -4.1179 -4.1179 -4.1179 -4.1179 -0.8914 -0.8914 -0.8872 -0.8872 4.1062 4.1062 4.1078 4.1078 5.2402 5.2402 5.2638 5.2638 6.0828 6.0828 6.1059 6.1059 6.5525 6.5525 6.5549 6.5549 8.0615 8.0615 8.0640 8.0640 9.5503 9.5503 9.5825 9.5825 10.1322 10.1322 10.1447 10.1447 10.6393 10.6393 10.6530 10.6530 12.3955 12.3955 12.4241 12.4241 12.7334 12.7334 12.7729 12.7729 k = 0.5000 0.0953-0.0000 ( 2896 PWs) bands (ev): -4.1086 -4.1086 -4.1086 -4.1086 -0.9094 -0.9094 -0.9048 -0.9048 4.1147 4.1147 4.1162 4.1162 5.2110 5.2110 5.2341 5.2341 6.1207 6.1207 6.1427 6.1427 6.5505 6.5505 6.5527 6.5527 8.0409 8.0409 8.0432 8.0432 9.5341 9.5341 9.5698 9.5698 10.1366 10.1366 10.1506 10.1506 10.6416 10.6416 10.6564 10.6564 12.3839 12.3839 12.4129 12.4129 12.7438 12.7438 12.7835 12.7835 k = 0.5000 0.1059-0.0000 ( 2896 PWs) bands (ev): -4.0984 -4.0984 -4.0984 -4.0984 -0.9292 -0.9292 -0.9241 -0.9241 4.1240 4.1240 4.1255 4.1255 5.1861 5.1861 5.2087 5.2087 6.1448 6.1448 6.1651 6.1651 6.5594 6.5594 6.5608 6.5608 8.0162 8.0162 8.0184 8.0184 9.5199 9.5199 9.5591 9.5591 10.1412 10.1412 10.1570 10.1570 10.6441 10.6441 10.6597 10.6597 12.3732 12.3732 12.4022 12.4022 12.7540 12.7540 12.7935 12.7935 k = 0.5000 0.1165-0.0000 ( 2896 PWs) bands (ev): -4.0873 -4.0873 -4.0872 -4.0872 -0.9507 -0.9507 -0.9451 -0.9451 4.1342 4.1342 4.1355 4.1355 5.1657 5.1657 5.1876 5.1876 6.1532 6.1532 6.1710 6.1710 6.5811 6.5811 6.5812 6.5812 7.9872 7.9872 7.9892 7.9892 9.5087 9.5087 9.5511 9.5511 10.1462 10.1462 10.1635 10.1635 10.6465 10.6465 10.6629 10.6629 12.3635 12.3635 12.3925 12.3925 12.7640 12.7640 12.8029 12.8029 k = 0.5000 0.1271-0.0000 ( 2906 PWs) bands (ev): -4.0753 -4.0753 -4.0752 -4.0752 -0.9736 -0.9736 -0.9677 -0.9677 4.1451 4.1451 4.1462 4.1462 5.1497 5.1497 5.1709 5.1709 6.1464 6.1464 6.1615 6.1615 6.6129 6.6129 6.6146 6.6146 7.9536 7.9536 7.9554 7.9554 9.5010 9.5010 9.5465 9.5465 10.1512 10.1512 10.1702 10.1702 10.6489 10.6489 10.6660 10.6660 12.3552 12.3552 12.3838 12.3838 12.7738 12.7738 12.8120 12.8120 k = 0.5000 0.1376-0.0000 ( 2914 PWs) bands (ev): -4.0625 -4.0625 -4.0624 -4.0624 -0.9979 -0.9979 -0.9915 -0.9915 4.1569 4.1569 4.1577 4.1577 5.1381 5.1381 5.1585 5.1585 6.1274 6.1274 6.1401 6.1401 6.6532 6.6532 6.6563 6.6563 7.9154 7.9154 7.9170 7.9170 9.4974 9.4974 9.5457 9.5457 10.1565 10.1565 10.1770 10.1770 10.6514 10.6514 10.6690 10.6690 12.3483 12.3483 12.3765 12.3765 12.7833 12.7833 12.8207 12.8207 k = 0.5000 0.1482-0.0000 ( 2924 PWs) bands (ev): -4.0489 -4.0489 -4.0489 -4.0489 -1.0234 -1.0234 -1.0166 -1.0166 4.1695 4.1695 4.1699 4.1699 5.1309 5.1309 5.1502 5.1502 6.0995 6.0995 6.1102 6.1102 6.6987 6.6987 6.7027 6.7027 7.8724 7.8724 7.8740 7.8740 9.4981 9.4981 9.5491 9.5491 10.1619 10.1619 10.1838 10.1838 10.6538 10.6538 10.6719 10.6719 12.3430 12.3430 12.3706 12.3706 12.7928 12.7928 12.8293 12.8293 k = 0.5000 0.1588-0.0000 ( 2924 PWs) bands (ev): -4.0348 -4.0348 -4.0347 -4.0347 -1.0499 -1.0499 -1.0428 -1.0428 4.1829 4.1829 4.1829 4.1829 5.1278 5.1278 5.1460 5.1460 6.0657 6.0657 6.0746 6.0746 6.7467 6.7467 6.7511 6.7511 7.8250 7.8250 7.8267 7.8267 9.5034 9.5034 9.5568 9.5568 10.1674 10.1674 10.1908 10.1908 10.6562 10.6562 10.6748 10.6748 12.3395 12.3395 12.3665 12.3665 12.8023 12.8023 12.8380 12.8380 k = 0.5000 0.1694-0.0000 ( 2924 PWs) bands (ev): -4.0200 -4.0200 -4.0200 -4.0200 -1.0772 -1.0772 -1.0698 -1.0698 4.1968 4.1968 4.1972 4.1972 5.1284 5.1284 5.1455 5.1455 6.0280 6.0280 6.0355 6.0355 6.7950 6.7950 6.7996 6.7996 7.7735 7.7735 7.7754 7.7754 9.5133 9.5133 9.5689 9.5689 10.1730 10.1730 10.1977 10.1977 10.6585 10.6585 10.6775 10.6775 12.3379 12.3379 12.3641 12.3641 12.8119 12.8119 12.8467 12.8467 k = 0.5000 0.1800-0.0000 ( 2916 PWs) bands (ev): -4.0048 -4.0048 -4.0048 -4.0048 -1.1052 -1.1052 -1.0975 -1.0975 4.2115 4.2115 4.2125 4.2125 5.1325 5.1325 5.1483 5.1483 5.9880 5.9880 5.9943 5.9943 6.8422 6.8422 6.8467 6.8467 7.7183 7.7183 7.7205 7.7205 9.5275 9.5275 9.5852 9.5852 10.1787 10.1787 10.2046 10.2046 10.6608 10.6608 10.6802 10.6802 12.3384 12.3384 12.3636 12.3636 12.8216 12.8216 12.8555 12.8555 k = 0.5000 0.1906-0.0000 ( 2916 PWs) bands (ev): -3.9892 -3.9892 -3.9892 -3.9892 -1.1337 -1.1337 -1.1257 -1.1257 4.2273 4.2273 4.2289 4.2289 5.1394 5.1394 5.1538 5.1538 5.9470 5.9470 5.9523 5.9523 6.8871 6.8871 6.8913 6.8913 7.6601 7.6601 7.6627 7.6627 9.5457 9.5457 9.6053 9.6053 10.1842 10.1842 10.2114 10.2114 10.6630 10.6630 10.6827 10.6827 12.3409 12.3409 12.3650 12.3650 12.8315 12.8315 12.8647 12.8647 k = 0.5000 0.2012-0.0000 ( 2916 PWs) bands (ev): -3.9733 -3.9733 -3.9733 -3.9733 -1.1625 -1.1625 -1.1543 -1.1543 4.2442 4.2442 4.2463 4.2463 5.1484 5.1484 5.1613 5.1613 5.9064 5.9064 5.9107 5.9107 6.9287 6.9287 6.9325 6.9325 7.5997 7.5997 7.6030 7.6030 9.5674 9.5674 9.6287 9.6287 10.1897 10.1897 10.2180 10.2180 10.6650 10.6650 10.6850 10.6850 12.3455 12.3455 12.3685 12.3685 12.8417 12.8417 12.8741 12.8741 k = 0.5000 0.2118-0.0000 ( 2920 PWs) bands (ev): -3.9573 -3.9573 -3.9572 -3.9572 -1.1914 -1.1914 -1.1829 -1.1829 4.2623 4.2623 4.2650 4.2650 5.1586 5.1586 5.1700 5.1700 5.8674 5.8674 5.8708 5.8708 6.9658 6.9658 6.9691 6.9691 7.5384 7.5384 7.5423 7.5423 9.5921 9.5921 9.6551 9.6551 10.1951 10.1951 10.2244 10.2244 10.6669 10.6669 10.6873 10.6873 12.3521 12.3521 12.3739 12.3739 12.8523 12.8523 12.8840 12.8840 k = 0.5000 0.2223-0.0000 ( 2916 PWs) bands (ev): -3.9412 -3.9412 -3.9411 -3.9411 -1.2201 -1.2201 -1.2113 -1.2113 4.2817 4.2817 4.2850 4.2850 5.1687 5.1687 5.1786 5.1786 5.8314 5.8314 5.8341 5.8341 6.9970 6.9970 6.9997 6.9997 7.4777 7.4777 7.4825 7.4825 9.6193 9.6193 9.6838 9.6838 10.2004 10.2004 10.2308 10.2308 10.6688 10.6688 10.6895 10.6895 12.3608 12.3608 12.3812 12.3812 12.8632 12.8632 12.8943 12.8943 k = 0.5000 0.2329-0.0000 ( 2920 PWs) bands (ev): -3.9252 -3.9252 -3.9251 -3.9251 -1.2484 -1.2484 -1.2395 -1.2395 4.3025 4.3025 4.3063 4.3063 5.1773 5.1773 5.1856 5.1856 5.8001 5.8001 5.8021 5.8021 7.0198 7.0198 7.0219 7.0219 7.4205 7.4205 7.4261 7.4261 9.6482 9.6482 9.7142 9.7142 10.2055 10.2055 10.2368 10.2368 10.6706 10.6706 10.6915 10.6915 12.3714 12.3714 12.3904 12.3904 12.8747 12.8747 12.9052 12.9052 k = 0.5000 0.2435-0.0000 ( 2920 PWs) bands (ev): -3.9093 -3.9093 -3.9092 -3.9092 -1.2762 -1.2762 -1.2670 -1.2670 4.3247 4.3247 4.3291 4.3291 5.1826 5.1826 5.1892 5.1892 5.7754 5.7754 5.7767 5.7767 7.0307 7.0307 7.0319 7.0319 7.3708 7.3708 7.3771 7.3771 9.6783 9.6783 9.7457 9.7457 10.2105 10.2105 10.2426 10.2426 10.6722 10.6722 10.6934 10.6934 12.3837 12.3837 12.4012 12.4012 12.8867 12.8867 12.9167 12.9167 k = 0.5000 0.2541-0.0000 ( 2924 PWs) bands (ev): -3.8939 -3.8939 -3.8937 -3.8937 -1.3031 -1.3031 -1.2937 -1.2937 4.3485 4.3485 4.3533 4.3533 5.1827 5.1827 5.1877 5.1877 5.7589 5.7589 5.7599 5.7599 7.0247 7.0247 7.0250 7.0250 7.3340 7.3340 7.3406 7.3406 9.7087 9.7087 9.7775 9.7775 10.2152 10.2152 10.2482 10.2482 10.6738 10.6738 10.6952 10.6952 12.3974 12.3974 12.4133 12.4133 12.8993 12.8993 12.9287 12.9287 k = 0.5000 0.2647-0.0000 ( 2920 PWs) bands (ev): -3.8789 -3.8789 -3.8787 -3.8787 -1.3290 -1.3290 -1.3194 -1.3194 4.3738 4.3738 4.3791 4.3791 5.1760 5.1760 5.1797 5.1797 5.7524 5.7524 5.7533 5.7533 6.9971 6.9971 6.9995 6.9995 7.3138 7.3138 7.3201 7.3201 9.7391 9.7391 9.8091 9.8091 10.2199 10.2199 10.2535 10.2535 10.6753 10.6753 10.6970 10.6970 12.4122 12.4122 12.4266 12.4266 12.9125 12.9125 12.9415 12.9415 k = 0.5000 0.2753-0.0000 ( 2924 PWs) bands (ev): -3.8645 -3.8645 -3.8643 -3.8643 -1.3535 -1.3535 -1.3438 -1.3438 4.4006 4.4006 4.4065 4.4065 5.1617 5.1617 5.1642 5.1642 5.7563 5.7563 5.7575 5.7575 6.9515 6.9515 6.9563 6.9563 7.3081 7.3081 7.3141 7.3141 9.7686 9.7686 9.8399 9.8399 10.2242 10.2242 10.2585 10.2585 10.6767 10.6767 10.6986 10.6986 12.4278 12.4278 12.4406 12.4406 12.9262 12.9262 12.9548 12.9548 k = 0.5000 0.2859-0.0000 ( 2924 PWs) bands (ev): -3.8510 -3.8510 -3.8507 -3.8507 -1.3766 -1.3766 -1.3668 -1.3668 4.4290 4.4290 4.4354 4.4354 5.1401 5.1401 5.1417 5.1417 5.7705 5.7705 5.7726 5.7726 6.8938 6.8938 6.9009 6.9009 7.3116 7.3116 7.3174 7.3174 9.7969 9.7969 9.8694 9.8694 10.2284 10.2284 10.2632 10.2632 10.6780 10.6780 10.7001 10.7001 12.4436 12.4436 12.4549 12.4549 12.9404 12.9404 12.9687 12.9687 k = 0.5000 0.2965-0.0000 ( 2924 PWs) bands (ev): -3.8383 -3.8383 -3.8381 -3.8381 -1.3979 -1.3979 -1.3880 -1.3880 4.4589 4.4589 4.4658 4.4658 5.1122 5.1122 5.1131 5.1131 5.7939 5.7939 5.7973 5.7973 6.8290 6.8290 6.8385 6.8385 7.3197 7.3197 7.3254 7.3254 9.8234 9.8234 9.8969 9.8969 10.2322 10.2322 10.2675 10.2675 10.6792 10.6792 10.7015 10.7015 12.4593 12.4593 12.4691 12.4691 12.9550 12.9550 12.9829 12.9829 k = 0.5000 0.3070-0.0000 ( 2920 PWs) bands (ev): -3.8268 -3.8268 -3.8265 -3.8265 -1.4173 -1.4173 -1.4073 -1.4073 4.4903 4.4903 4.4977 4.4977 5.0793 5.0793 5.0796 5.0796 5.8250 5.8250 5.8302 5.8302 6.7607 6.7607 6.7727 6.7727 7.3295 7.3295 7.3352 7.3352 9.8477 9.8477 9.9221 9.9221 10.2359 10.2359 10.2715 10.2715 10.6802 10.6802 10.7027 10.7027 12.4743 12.4743 12.4827 12.4827 12.9696 12.9696 12.9973 12.9973 k = 0.5000 0.3176-0.0000 ( 2924 PWs) bands (ev): -3.8164 -3.8164 -3.8161 -3.8161 -1.4346 -1.4346 -1.4244 -1.4244 4.5228 4.5228 4.5309 4.5309 5.0427 5.0427 5.0430 5.0430 5.8622 5.8622 5.8697 5.8697 6.6908 6.6908 6.7057 6.7057 7.3393 7.3393 7.3452 7.3452 9.8693 9.8693 9.9445 9.9445 10.2391 10.2391 10.2750 10.2750 10.6811 10.6811 10.7037 10.7037 12.4883 12.4883 12.4954 12.4954 12.9839 12.9839 13.0114 13.0114 k = 0.5000 0.3282-0.0000 ( 2908 PWs) bands (ev): -3.8074 -3.8074 -3.8071 -3.8071 -1.4495 -1.4495 -1.4393 -1.4393 4.5563 4.5563 4.5651 4.5651 5.0038 5.0038 5.0047 5.0047 5.9036 5.9036 5.9143 5.9143 6.6210 6.6210 6.6393 6.6393 7.3484 7.3484 7.3545 7.3545 9.8881 9.8881 9.9640 9.9640 10.2420 10.2420 10.2781 10.2781 10.6820 10.6820 10.7048 10.7048 12.5008 12.5008 12.5068 12.5068 12.9974 12.9974 13.0247 13.0247 k = 0.5000 0.3388-0.0000 ( 2904 PWs) bands (ev): -3.7999 -3.7999 -3.7995 -3.7995 -1.4620 -1.4620 -1.4517 -1.4517 4.5902 4.5902 4.6000 4.6000 4.9640 4.9640 4.9658 4.9658 5.9476 5.9476 5.9622 5.9622 6.5528 6.5528 6.5753 6.5753 7.3561 7.3561 7.3623 7.3623 9.9038 9.9038 9.9802 9.9802 10.2445 10.2445 10.2807 10.2807 10.6827 10.6827 10.7056 10.7056 12.5115 12.5115 12.5165 12.5165 13.0096 13.0096 13.0368 13.0368 k = 0.5000 0.3494-0.0000 ( 2902 PWs) bands (ev): -3.7939 -3.7939 -3.7935 -3.7935 -1.4718 -1.4718 -1.4615 -1.4615 4.6237 4.6237 4.6349 4.6349 4.9249 4.9249 4.9279 4.9279 5.9914 5.9914 6.0116 6.0116 6.4880 6.4880 6.5160 6.5160 7.3623 7.3623 7.3686 7.3686 9.9161 9.9161 9.9929 9.9929 10.2465 10.2465 10.2828 10.2828 10.6833 10.6833 10.7062 10.7062 12.5200 12.5200 12.5243 12.5243 13.0199 13.0199 13.0470 13.0470 k = 0.5000 0.3600-0.0000 ( 2902 PWs) bands (ev): -3.7896 -3.7896 -3.7892 -3.7892 -1.4789 -1.4789 -1.4685 -1.4685 4.6547 4.6547 4.6679 4.6679 4.8884 4.8884 4.8934 4.8934 6.0315 6.0315 6.0588 6.0588 6.4298 6.4298 6.4650 6.4650 7.3668 7.3668 7.3732 7.3732 9.9250 9.9250 10.0020 10.0020 10.2480 10.2480 10.2843 10.2843 10.6836 10.6836 10.7067 10.7067 12.5263 12.5263 12.5299 12.5299 13.0278 13.0278 13.0547 13.0547 k = 0.5000 0.3706-0.0000 ( 2904 PWs) bands (ev): -3.7870 -3.7870 -3.7866 -3.7866 -1.4832 -1.4832 -1.4728 -1.4728 4.6791 4.6791 4.6949 4.6949 4.8592 4.8592 4.8668 4.8668 6.0615 6.0615 6.0968 6.0968 6.3852 6.3852 6.4285 6.4285 7.3695 7.3695 7.3760 7.3760 9.9303 9.9303 10.0075 10.0075 10.2489 10.2489 10.2852 10.2852 10.6839 10.6839 10.7069 10.7069 12.5301 12.5301 12.5334 12.5334 13.0327 13.0327 13.0596 13.0596 k = 0.5000 0.3812-0.0000 ( 2900 PWs) bands (ev): -3.7861 -3.7861 -3.7857 -3.7857 -1.4847 -1.4847 -1.4743 -1.4743 4.6890 4.6890 4.7065 4.7065 4.8469 4.8469 4.8561 4.8561 6.0730 6.0730 6.1126 6.1126 6.3673 6.3673 6.4148 6.4148 7.3704 7.3704 7.3769 7.3769 9.9321 9.9321 10.0094 10.0094 10.2492 10.2492 10.2855 10.2855 10.6840 10.6840 10.7071 10.7071 12.5313 12.5313 12.5345 12.5345 13.0343 13.0343 13.0613 13.0613 k = 0.5000 0.3812-0.0000 ( 2900 PWs) bands (ev): -3.7861 -3.7861 -3.7857 -3.7857 -1.4847 -1.4847 -1.4743 -1.4743 4.6890 4.6890 4.7065 4.7065 4.8469 4.8469 4.8561 4.8561 6.0730 6.0730 6.1126 6.1126 6.3673 6.3673 6.4148 6.4148 7.3704 7.3704 7.3769 7.3769 9.9321 9.9321 10.0094 10.0094 10.2492 10.2492 10.2855 10.2855 10.6840 10.6840 10.7071 10.7071 12.5313 12.5313 12.5345 12.5345 13.0343 13.0343 13.0613 13.0613 k = 0.4894 0.3812-0.0000 ( 2906 PWs) bands (ev): -3.7870 -3.7870 -3.7866 -3.7866 -1.4851 -1.4851 -1.4747 -1.4747 4.6796 4.6796 4.6964 4.6964 4.8573 4.8573 4.8671 4.8671 6.0668 6.0668 6.1063 6.1063 6.3761 6.3761 6.4235 6.4235 7.3723 7.3723 7.3788 7.3788 9.9324 9.9324 10.0097 10.0097 10.2487 10.2487 10.2849 10.2849 10.6837 10.6837 10.7068 10.7068 12.5300 12.5300 12.5332 12.5332 13.0355 13.0355 13.0624 13.0624 k = 0.4787 0.3812-0.0000 ( 2906 PWs) bands (ev): -3.7896 -3.7896 -3.7892 -3.7892 -1.4863 -1.4863 -1.4759 -1.4759 4.6563 4.6563 4.6719 4.6719 4.8833 4.8833 4.8943 4.8943 6.0503 6.0503 6.0898 6.0898 6.4001 6.4001 6.4473 6.4473 7.3780 7.3780 7.3844 7.3844 9.9334 9.9334 10.0107 10.0107 10.2471 10.2471 10.2832 10.2832 10.6830 10.6830 10.7062 10.7062 12.5258 12.5258 12.5291 12.5291 13.0389 13.0389 13.0656 13.0656 k = 0.4681 0.3812-0.0000 ( 2902 PWs) bands (ev): -3.7939 -3.7939 -3.7935 -3.7935 -1.4883 -1.4883 -1.4780 -1.4780 4.6263 4.6263 4.6407 4.6407 4.9178 4.9178 4.9296 4.9296 6.0281 6.0281 6.0674 6.0674 6.4350 6.4350 6.4818 6.4818 7.3875 7.3875 7.3937 7.3937 9.9351 9.9351 10.0123 10.0123 10.2444 10.2444 10.2803 10.2803 10.6820 10.6820 10.7053 10.7053 12.5192 12.5192 12.5225 12.5225 13.0444 13.0444 13.0708 13.0708 k = 0.4574 0.3812-0.0000 ( 2898 PWs) bands (ev): -3.7999 -3.7999 -3.7995 -3.7995 -1.4912 -1.4912 -1.4808 -1.4808 4.5932 4.5932 4.6067 4.6067 4.9569 4.9569 4.9693 4.9693 6.0043 6.0043 6.0431 6.0431 6.4766 6.4766 6.5231 6.5231 7.4009 7.4009 7.4069 7.4069 9.9374 9.9374 10.0146 10.0146 10.2407 10.2407 10.2762 10.2762 10.6806 10.6806 10.7041 10.7041 12.5100 12.5100 12.5134 12.5134 13.0518 13.0518 13.0779 13.0779 k = 0.4468 0.3812-0.0000 ( 2902 PWs) bands (ev): -3.8075 -3.8075 -3.8072 -3.8072 -1.4948 -1.4948 -1.4845 -1.4845 4.5588 4.5588 4.5713 4.5713 4.9986 4.9986 5.0114 5.0114 5.9815 5.9815 6.0197 6.0197 6.5223 6.5223 6.5684 6.5684 7.4182 7.4182 7.4238 7.4238 9.9404 9.9404 10.0175 10.0175 10.2358 10.2358 10.2708 10.2708 10.6792 10.6792 10.7027 10.7027 12.4985 12.4985 12.5020 12.5020 13.0610 13.0610 13.0866 13.0866 k = 0.4362 0.3812-0.0000 ( 2898 PWs) bands (ev): -3.8168 -3.8168 -3.8164 -3.8164 -1.4993 -1.4993 -1.4890 -1.4890 4.5235 4.5235 4.5351 4.5351 5.0421 5.0421 5.0551 5.0551 5.9618 5.9618 5.9991 5.9991 6.5703 6.5703 6.6159 6.6159 7.4396 7.4396 7.4447 7.4447 9.9440 9.9440 10.0211 10.0211 10.2296 10.2296 10.2642 10.2642 10.6777 10.6777 10.7015 10.7015 12.4850 12.4850 12.4886 12.4886 13.0716 13.0716 13.0967 13.0967 k = 0.4255 0.3812-0.0000 ( 2906 PWs) bands (ev): -3.8275 -3.8275 -3.8272 -3.8272 -1.5045 -1.5045 -1.4943 -1.4943 4.4876 4.4876 4.4983 4.4983 5.0869 5.0869 5.0998 5.0998 5.9464 5.9464 5.9827 5.9827 6.6193 6.6193 6.6643 6.6643 7.4651 7.4651 7.4695 7.4695 9.9482 9.9482 10.0253 10.0253 10.2222 10.2222 10.2563 10.2563 10.6764 10.6764 10.7003 10.7003 12.4694 12.4694 12.4732 12.4732 13.0833 13.0833 13.1079 13.1079 k = 0.4149 0.3812-0.0000 ( 2906 PWs) bands (ev): -3.8397 -3.8397 -3.8394 -3.8394 -1.5105 -1.5105 -1.5003 -1.5003 4.4511 4.4511 4.4609 4.4609 5.1324 5.1324 5.1452 5.1452 5.9365 5.9365 5.9714 5.9714 6.6685 6.6685 6.7127 6.7127 7.4946 7.4946 7.4983 7.4983 9.9531 9.9531 10.0302 10.0302 10.2135 10.2135 10.2472 10.2472 10.6755 10.6755 10.6995 10.6995 12.4522 12.4522 12.4560 12.4560 13.0960 13.0960 13.1200 13.1200 k = 0.4043 0.3812-0.0000 ( 2906 PWs) bands (ev): -3.8533 -3.8533 -3.8530 -3.8530 -1.5172 -1.5172 -1.5072 -1.5072 4.4140 4.4140 4.4230 4.4230 5.1783 5.1783 5.1906 5.1906 5.9327 5.9327 5.9661 5.9661 6.7171 6.7171 6.7604 6.7604 7.5283 7.5283 7.5311 7.5311 9.9587 9.9587 10.0357 10.0357 10.2035 10.2035 10.2368 10.2368 10.6751 10.6751 10.6992 10.6992 12.4334 12.4334 12.4374 12.4374 13.1093 13.1093 13.1326 13.1326 k = 0.3936 0.3812-0.0000 ( 2912 PWs) bands (ev): -3.8682 -3.8682 -3.8679 -3.8679 -1.5247 -1.5247 -1.5147 -1.5147 4.3763 4.3763 4.3844 4.3844 5.2242 5.2242 5.2359 5.2359 5.9357 5.9357 5.9674 5.9674 6.7648 6.7648 6.8070 6.8070 7.5660 7.5660 7.5677 7.5677 9.9648 9.9648 10.0419 10.0419 10.1922 10.1922 10.2252 10.2252 10.6754 10.6754 10.6995 10.6995 12.4133 12.4133 12.4173 12.4173 13.1231 13.1231 13.1457 13.1457 k = 0.3830 0.3812-0.0000 ( 2908 PWs) bands (ev): -3.8842 -3.8842 -3.8839 -3.8839 -1.5329 -1.5329 -1.5230 -1.5230 4.3379 4.3379 4.3451 4.3451 5.2697 5.2697 5.2805 5.2805 5.9460 5.9460 5.9757 5.9757 6.8111 6.8111 6.8521 6.8521 7.6076 7.6076 7.6082 7.6082 9.9715 9.9715 10.0487 10.0487 10.1797 10.1797 10.2126 10.2126 10.6767 10.6767 10.7006 10.7006 12.3919 12.3919 12.3960 12.3960 13.1371 13.1371 13.1590 13.1590 k = 0.3723 0.3812-0.0000 ( 2914 PWs) bands (ev): -3.9013 -3.9013 -3.9011 -3.9011 -1.5417 -1.5417 -1.5320 -1.5320 4.2989 4.2989 4.3053 4.3053 5.3146 5.3146 5.3244 5.3244 5.9639 5.9639 5.9913 5.9913 6.8558 6.8558 6.8955 6.8955 7.6521 7.6521 7.6527 7.6527 9.9788 9.9788 10.0561 10.0561 10.1660 10.1660 10.1991 10.1991 10.6788 10.6788 10.7024 10.7024 12.3694 12.3694 12.3737 12.3737 13.1512 13.1512 13.1722 13.1722 k = 0.3617 0.3812-0.0000 ( 2910 PWs) bands (ev): -3.9194 -3.9194 -3.9192 -3.9192 -1.5512 -1.5512 -1.5416 -1.5416 4.2593 4.2593 4.2648 4.2648 5.3587 5.3587 5.3672 5.3672 5.9894 5.9894 6.0144 6.0144 6.8989 6.8989 6.9371 6.9371 7.6993 7.6993 7.7010 7.7010 9.9865 9.9865 10.0641 10.0641 10.1515 10.1515 10.1851 10.1851 10.6819 10.6819 10.7051 10.7051 12.3460 12.3460 12.3505 12.3505 13.1652 13.1652 13.1854 13.1854 k = 0.3511 0.3812-0.0000 ( 2900 PWs) bands (ev): -3.9383 -3.9383 -3.9381 -3.9381 -1.5613 -1.5613 -1.5518 -1.5518 4.2191 4.2191 4.2238 4.2238 5.4019 5.4019 5.4090 5.4090 6.0223 6.0223 6.0449 6.0449 6.9402 6.9402 6.9770 6.9770 7.7493 7.7493 7.7522 7.7522 9.9944 9.9944 10.0724 10.0724 10.1364 10.1364 10.1709 10.1709 10.6862 10.6862 10.7088 10.7088 12.3219 12.3219 12.3266 12.3266 13.1790 13.1790 13.1983 13.1983 k = 0.3404 0.3812-0.0000 ( 2904 PWs) bands (ev): -3.9580 -3.9580 -3.9578 -3.9578 -1.5720 -1.5720 -1.5626 -1.5626 4.1785 4.1785 4.1824 4.1824 5.4442 5.4442 5.4499 5.4499 6.0624 6.0624 6.0824 6.0824 6.9799 6.9799 7.0152 7.0152 7.8018 7.8018 7.8057 7.8057 10.0023 10.0023 10.0807 10.0807 10.1211 10.1211 10.1569 10.1569 10.6913 10.6913 10.7132 10.7132 12.2972 12.2972 12.3021 12.3021 13.1924 13.1924 13.2109 13.2109 k = 0.3298 0.3812-0.0000 ( 2908 PWs) bands (ev): -3.9784 -3.9784 -3.9782 -3.9782 -1.5831 -1.5831 -1.5739 -1.5739 4.1375 4.1375 4.1407 4.1407 5.4858 5.4858 5.4901 5.4901 6.1089 6.1089 6.1265 6.1265 7.0181 7.0181 7.0519 7.0519 7.8562 7.8562 7.8611 7.8611 10.0096 10.0096 10.0866 10.0866 10.1084 10.1084 10.1438 10.1438 10.6975 10.6975 10.7184 10.7184 12.2721 12.2721 12.2773 12.2773 13.2054 13.2054 13.2229 13.2229 k = 0.3191 0.3812-0.0000 ( 2908 PWs) bands (ev): -3.9993 -3.9993 -3.9991 -3.9991 -1.5948 -1.5948 -1.5858 -1.5858 4.0963 4.0963 4.0988 4.0988 5.5270 5.5270 5.5300 5.5300 6.1612 6.1612 6.1766 6.1766 7.0549 7.0549 7.0872 7.0872 7.9119 7.9119 7.9177 7.9177 10.0157 10.0157 10.0805 10.0805 10.1080 10.1080 10.1326 10.1326 10.7048 10.7048 10.7245 10.7245 12.2469 12.2469 12.2524 12.2524 13.2180 13.2180 13.2345 13.2345 k = 0.3085 0.3812-0.0000 ( 2912 PWs) bands (ev): -4.0206 -4.0206 -4.0205 -4.0205 -1.6069 -1.6069 -1.5980 -1.5980 4.0551 4.0551 4.0569 4.0569 5.5680 5.5680 5.5699 5.5699 6.2185 6.2185 6.2319 6.2319 7.0905 7.0905 7.1214 7.1214 7.9686 7.9686 7.9750 7.9750 10.0195 10.0195 10.0659 10.0659 10.1166 10.1166 10.1245 10.1245 10.7129 10.7129 10.7313 10.7313 12.2218 12.2218 12.2277 12.2277 13.2300 13.2300 13.2456 13.2456 k = 0.2979 0.3812-0.0000 ( 2904 PWs) bands (ev): -4.0422 -4.0422 -4.0421 -4.0421 -1.6193 -1.6193 -1.6106 -1.6106 4.0139 4.0139 4.0152 4.0152 5.6091 5.6091 5.6101 5.6101 6.2800 6.2800 6.2916 6.2916 7.1252 7.1252 7.1547 7.1547 8.0257 8.0257 8.0325 8.0325 10.0199 10.0199 10.0501 10.0501 10.1209 10.1209 10.1271 10.1271 10.7220 10.7220 10.7389 10.7389 12.1972 12.1972 12.2035 12.2035 13.2414 13.2414 13.2561 13.2561 k = 0.2872 0.3812-0.0000 ( 2904 PWs) bands (ev): -4.0640 -4.0640 -4.0640 -4.0640 -1.6320 -1.6320 -1.6235 -1.6235 3.9729 3.9729 3.9737 3.9737 5.6506 5.6506 5.6508 5.6508 6.3449 6.3449 6.3550 6.3550 7.1592 7.1592 7.1873 7.1873 8.0825 8.0825 8.0896 8.0896 10.0165 10.0165 10.0346 10.0346 10.1222 10.1222 10.1382 10.1382 10.7318 10.7318 10.7469 10.7469 12.1732 12.1732 12.1799 12.1799 13.2523 13.2523 13.2661 13.2661 k = 0.2766 0.3812-0.0000 ( 2908 PWs) bands (ev): -4.0860 -4.0860 -4.0859 -4.0859 -1.6450 -1.6450 -1.6367 -1.6367 3.9323 3.9323 3.9326 3.9326 5.6921 5.6921 5.6925 5.6925 6.4122 6.4122 6.4211 6.4211 7.1927 7.1927 7.2196 7.2196 8.1387 8.1387 8.1457 8.1457 10.0102 10.0102 10.0198 10.0198 10.1280 10.1280 10.1497 10.1497 10.7422 10.7422 10.7554 10.7554 12.1502 12.1502 12.1575 12.1575 13.2625 13.2625 13.2754 13.2754 k = 0.2660 0.3812-0.0000 ( 2908 PWs) bands (ev): -4.1080 -4.1080 -4.1079 -4.1079 -1.6581 -1.6581 -1.6501 -1.6501 3.8921 3.8921 3.8922 3.8922 5.7342 5.7342 5.7351 5.7351 6.4813 6.4813 6.4891 6.4891 7.2262 7.2262 7.2517 7.2517 8.1936 8.1936 8.2005 8.2005 10.0022 10.0022 10.0062 10.0062 10.1371 10.1371 10.1613 10.1613 10.7531 10.7531 10.7643 10.7643 12.1287 12.1287 12.1365 12.1365 13.2721 13.2721 13.2842 13.2842 k = 0.2553 0.3812-0.0000 ( 2912 PWs) bands (ev): -4.1298 -4.1298 -4.1298 -4.1298 -1.6713 -1.6713 -1.6636 -1.6636 3.8523 3.8523 3.8528 3.8528 5.7772 5.7772 5.7784 5.7784 6.5512 6.5512 6.5582 6.5582 7.2600 7.2600 7.2842 7.2842 8.2469 8.2469 8.2534 8.2534 9.9936 9.9936 9.9939 9.9939 10.1482 10.1482 10.1730 10.1730 10.7645 10.7645 10.7734 10.7734 12.1089 12.1089 12.1173 12.1173 13.2811 13.2811 13.2925 13.2925 k = 0.2447 0.3812-0.0000 ( 2916 PWs) bands (ev): -4.1515 -4.1515 -4.1515 -4.1515 -1.6846 -1.6846 -1.6771 -1.6771 3.8133 3.8133 3.8141 3.8141 5.8209 5.8209 5.8224 5.8224 6.6210 6.6210 6.6275 6.6275 7.2945 7.2945 7.3173 7.3173 8.2980 8.2980 8.3040 8.3040 9.9830 9.9830 9.9858 9.9858 10.1608 10.1608 10.1845 10.1845 10.7762 10.7762 10.7828 10.7828 12.0914 12.0914 12.1003 12.1003 13.2895 13.2895 13.3001 13.3001 k = 0.2340 0.3812-0.0000 ( 2912 PWs) bands (ev): -4.1729 -4.1729 -4.1729 -4.1729 -1.6979 -1.6979 -1.6906 -1.6906 3.7754 3.7754 3.7763 3.7763 5.8653 5.8653 5.8670 5.8670 6.6896 6.6896 6.6959 6.6959 7.3304 7.3304 7.3517 7.3517 8.3467 8.3467 8.3519 8.3519 9.9739 9.9739 9.9787 9.9787 10.1743 10.1743 10.1960 10.1960 10.7881 10.7881 10.7922 10.7922 12.0766 12.0766 12.0860 12.0860 13.2972 13.2972 13.3072 13.3072 k = 0.2234 0.3812-0.0000 ( 2912 PWs) bands (ev): -4.1940 -4.1940 -4.1940 -4.1940 -1.7111 -1.7111 -1.7041 -1.7041 3.7384 3.7384 3.7396 3.7396 5.9104 5.9104 5.9121 5.9121 6.7562 6.7562 6.7624 6.7624 7.3681 7.3681 7.3879 7.3879 8.3925 8.3925 8.3969 8.3969 9.9665 9.9665 9.9729 9.9729 10.1881 10.1881 10.2071 10.2071 10.8001 10.8001 10.8015 10.8015 12.0649 12.0649 12.0748 12.0748 13.3042 13.3042 13.3137 13.3137 k = 0.2128 0.3812-0.0000 ( 2904 PWs) bands (ev): -4.2146 -4.2146 -4.2146 -4.2146 -1.7241 -1.7241 -1.7174 -1.7174 3.7026 3.7026 3.7040 3.7040 5.9560 5.9560 5.9577 5.9577 6.8196 6.8196 6.8259 6.8259 7.4083 7.4083 7.4265 7.4265 8.4353 8.4353 8.4388 8.4388 9.9610 9.9610 9.9684 9.9684 10.2022 10.2022 10.2179 10.2179 10.8108 10.8108 10.8122 10.8122 12.0569 12.0569 12.0671 12.0671 13.3104 13.3104 13.3196 13.3196 k = 0.2021 0.3812-0.0000 ( 2900 PWs) bands (ev): -4.2347 -4.2347 -4.2347 -4.2347 -1.7370 -1.7370 -1.7306 -1.7306 3.6681 3.6681 3.6696 3.6696 6.0019 6.0019 6.0036 6.0036 6.8787 6.8787 6.8853 6.8853 7.4514 7.4514 7.4679 7.4679 8.4750 8.4750 8.4775 8.4775 9.9572 9.9572 9.9654 9.9654 10.2163 10.2163 10.2282 10.2282 10.8198 10.8198 10.8240 10.8240 12.0530 12.0530 12.0635 12.0635 13.3158 13.3158 13.3247 13.3247 k = 0.1915 0.3812-0.0000 ( 2900 PWs) bands (ev): -4.2542 -4.2542 -4.2542 -4.2542 -1.7495 -1.7495 -1.7434 -1.7434 3.6350 3.6350 3.6366 3.6366 6.0480 6.0480 6.0496 6.0496 6.9327 6.9327 6.9398 6.9398 7.4979 7.4979 7.5126 7.5126 8.5117 8.5117 8.5131 8.5131 9.9547 9.9547 9.9634 9.9634 10.2301 10.2301 10.2379 10.2379 10.8285 10.8285 10.8355 10.8355 12.0535 12.0535 12.0642 12.0642 13.3202 13.3202 13.3291 13.3291 k = 0.1809 0.3812-0.0000 ( 2896 PWs) bands (ev): -4.2730 -4.2730 -4.2730 -4.2730 -1.7618 -1.7618 -1.7560 -1.7560 3.6032 3.6032 3.6049 3.6049 6.0941 6.0941 6.0955 6.0955 6.9809 6.9809 6.9885 6.9885 7.5477 7.5477 7.5606 7.5606 8.5455 8.5455 8.5458 8.5458 9.9535 9.9535 9.9624 9.9624 10.2436 10.2436 10.2472 10.2472 10.8368 10.8368 10.8467 10.8467 12.0590 12.0590 12.0696 12.0696 13.3235 13.3235 13.3325 13.3325 k = 0.1702 0.3812-0.0000 ( 2892 PWs) bands (ev): -4.2911 -4.2911 -4.2911 -4.2911 -1.7736 -1.7736 -1.7681 -1.7681 3.5730 3.5730 3.5747 3.5747 6.1399 6.1399 6.1413 6.1413 7.0231 7.0231 7.0312 7.0312 7.6005 7.6005 7.6116 7.6116 8.5761 8.5761 8.5768 8.5768 9.9529 9.9529 9.9619 9.9619 10.2559 10.2559 10.2566 10.2566 10.8447 10.8447 10.8574 10.8574 12.0697 12.0697 12.0802 12.0802 13.3255 13.3255 13.3348 13.3348 k = 0.1596 0.3812-0.0000 ( 2896 PWs) bands (ev): -4.3084 -4.3084 -4.3084 -4.3084 -1.7851 -1.7851 -1.7798 -1.7798 3.5443 3.5443 3.5460 3.5460 6.1853 6.1853 6.1865 6.1865 7.0594 7.0594 7.0679 7.0679 7.6553 7.6553 7.6649 7.6649 8.6044 8.6044 8.6061 8.6061 9.9525 9.9525 9.9614 9.9614 10.2642 10.2642 10.2690 10.2690 10.8521 10.8521 10.8676 10.8676 12.0859 12.0859 12.0960 12.0960 13.3261 13.3261 13.3358 13.3358 k = 0.1489 0.3812-0.0000 ( 2908 PWs) bands (ev): -4.3249 -4.3249 -4.3248 -4.3248 -1.7960 -1.7960 -1.7911 -1.7911 3.5172 3.5172 3.5189 3.5189 6.2301 6.2301 6.2311 6.2311 7.0900 7.0900 7.0989 7.0989 7.7111 7.7111 7.7192 7.7192 8.6314 8.6314 8.6340 8.6340 9.9517 9.9517 9.9604 9.9604 10.2721 10.2721 10.2807 10.2807 10.8592 10.8592 10.8771 10.8771 12.1077 12.1077 12.1171 12.1171 13.3248 13.3248 13.3352 13.3352 k = 0.1383 0.3812-0.0000 ( 2900 PWs) bands (ev): -4.3404 -4.3404 -4.3404 -4.3404 -1.8064 -1.8064 -1.8018 -1.8018 3.4918 3.4918 3.4935 3.4935 6.2740 6.2740 6.2748 6.2748 7.1157 7.1157 7.1247 7.1247 7.7665 7.7665 7.7733 7.7733 8.6581 8.6581 8.6615 8.6615 9.9499 9.9499 9.9585 9.9585 10.2799 10.2799 10.2919 10.2919 10.8660 10.8660 10.8861 10.8861 12.1352 12.1352 12.1438 12.1438 13.3215 13.3215 13.3327 13.3327 k = 0.1277 0.3812-0.0000 ( 2888 PWs) bands (ev): -4.3550 -4.3550 -4.3549 -4.3549 -1.8161 -1.8161 -1.8119 -1.8119 3.4681 3.4681 3.4697 3.4697 6.3167 6.3167 6.3174 6.3174 7.1370 7.1370 7.1460 7.1460 7.8201 7.8201 7.8257 7.8257 8.6850 8.6850 8.6891 8.6891 9.9467 9.9467 9.9550 9.9550 10.2875 10.2875 10.3025 10.3025 10.8725 10.8725 10.8945 10.8945 12.1682 12.1682 12.1759 12.1759 13.3157 13.3157 13.3279 13.3279 k = 0.1170 0.3812-0.0000 ( 2890 PWs) bands (ev): -4.3686 -4.3686 -4.3685 -4.3685 -1.8253 -1.8253 -1.8214 -1.8214 3.4462 3.4462 3.4477 3.4477 6.3579 6.3579 6.3584 6.3584 7.1545 7.1545 7.1632 7.1632 7.8704 7.8704 7.8751 7.8751 8.7130 8.7130 8.7176 8.7176 9.9416 9.9416 9.9498 9.9498 10.2951 10.2951 10.3122 10.3122 10.8787 10.8787 10.9021 10.9021 12.2066 12.2066 12.2131 12.2131 13.3069 13.3069 13.3201 13.3201 k = 0.1064 0.3812-0.0000 ( 2894 PWs) bands (ev): -4.3811 -4.3811 -4.3811 -4.3811 -1.8338 -1.8338 -1.8302 -1.8302 3.4261 3.4261 3.4275 3.4275 6.3974 6.3974 6.3978 6.3978 7.1686 7.1686 7.1769 7.1769 7.9164 7.9164 7.9203 7.9203 8.7426 8.7426 8.7477 8.7477 9.9343 9.9343 9.9424 9.9424 10.3026 10.3026 10.3212 10.3212 10.8846 10.8846 10.9089 10.9089 12.2501 12.2501 12.2553 12.2553 13.2945 13.2945 13.3089 13.3089 k = 0.0957 0.3812-0.0000 ( 2892 PWs) bands (ev): -4.3926 -4.3926 -4.3925 -4.3925 -1.8415 -1.8415 -1.8383 -1.8383 3.4078 3.4078 3.4091 3.4091 6.4348 6.4348 6.4351 6.4351 7.1798 7.1798 7.1877 7.1877 7.9572 7.9572 7.9603 7.9603 8.7741 8.7741 8.7795 8.7795 9.9249 9.9249 9.9329 9.9329 10.3102 10.3102 10.3295 10.3295 10.8905 10.8905 10.9150 10.9150 12.2981 12.2981 12.3019 12.3019 13.2780 13.2780 13.2934 13.2934 k = 0.0851 0.3812-0.0000 ( 2900 PWs) bands (ev): -4.4029 -4.4029 -4.4029 -4.4029 -1.8486 -1.8486 -1.8457 -1.8457 3.3913 3.3913 3.3925 3.3925 6.4697 6.4697 6.4699 6.4699 7.1886 7.1886 7.1959 7.1959 7.9922 7.9922 7.9947 7.9947 8.8075 8.8075 8.8131 8.8131 9.9133 9.9133 9.9212 9.9212 10.3177 10.3177 10.3370 10.3370 10.8961 10.8961 10.9202 10.9202 12.3503 12.3503 12.3526 12.3526 13.2568 13.2568 13.2730 13.2730 k = 0.0745 0.3812-0.0000 ( 2900 PWs) bands (ev): -4.4121 -4.4121 -4.4121 -4.4121 -1.8548 -1.8548 -1.8523 -1.8523 3.3768 3.3768 3.3779 3.3779 6.5019 6.5019 6.5021 6.5021 7.1954 7.1954 7.2020 7.2020 8.0214 8.0214 8.0233 8.0233 8.8422 8.8422 8.8478 8.8478 9.9000 9.9000 9.9078 9.9078 10.3251 10.3251 10.3436 10.3436 10.9015 10.9015 10.9245 10.9245 12.4059 12.4059 12.4066 12.4066 13.2304 13.2304 13.2472 13.2472 k = 0.0638 0.3812-0.0000 ( 2896 PWs) bands (ev): -4.4201 -4.4201 -4.4201 -4.4201 -1.8602 -1.8602 -1.8581 -1.8581 3.3641 3.3641 3.3651 3.3651 6.5309 6.5309 6.5311 6.5311 7.2004 7.2004 7.2063 7.2063 8.0450 8.0450 8.0465 8.0465 8.8772 8.8772 8.8827 8.8827 9.8856 9.8856 9.8931 9.8931 10.3321 10.3321 10.3492 10.3492 10.9068 10.9068 10.9281 10.9281 12.4633 12.4633 12.4641 12.4641 13.1987 13.1987 13.2156 13.2156 k = 0.0532 0.3812-0.0000 ( 2900 PWs) bands (ev): -4.4269 -4.4269 -4.4269 -4.4269 -1.8649 -1.8649 -1.8631 -1.8631 3.3534 3.3534 3.3542 3.3542 6.5563 6.5563 6.5565 6.5565 7.2041 7.2041 7.2091 7.2091 8.0634 8.0634 8.0646 8.0646 8.9113 8.9113 8.9164 8.9164 9.8708 9.8708 9.8777 9.8777 10.3387 10.3387 10.3538 10.3538 10.9118 10.9118 10.9307 10.9307 12.5218 12.5218 12.5241 12.5241 13.1620 13.1620 13.1784 13.1784 k = 0.0426 0.3812-0.0000 ( 2904 PWs) bands (ev): -4.4325 -4.4325 -4.4325 -4.4325 -1.8686 -1.8686 -1.8672 -1.8672 3.3447 3.3447 3.3453 3.3453 6.5778 6.5778 6.5780 6.5780 7.2067 7.2067 7.2108 7.2108 8.0773 8.0773 8.0782 8.0782 8.9428 8.9428 8.9473 8.9473 9.8565 9.8565 9.8626 9.8626 10.3447 10.3447 10.3573 10.3573 10.9165 10.9165 10.9323 10.9323 12.5809 12.5809 12.5845 12.5845 13.1209 13.1209 13.1364 13.1364 k = 0.0319 0.3812-0.0000 ( 2892 PWs) bands (ev): -4.4369 -4.4369 -4.4369 -4.4369 -1.8715 -1.8715 -1.8705 -1.8705 3.3379 3.3379 3.3383 3.3383 6.5950 6.5950 6.5952 6.5952 7.2085 7.2085 7.2117 7.2117 8.0874 8.0874 8.0880 8.0880 8.9700 8.9700 8.9737 8.9737 9.8440 9.8440 9.8490 9.8490 10.3500 10.3500 10.3598 10.3598 10.9208 10.9208 10.9332 10.9332 12.6388 12.6388 12.6435 12.6435 13.0774 13.0774 13.0912 13.0912 k = 0.0213 0.3812-0.0000 ( 2896 PWs) bands (ev): -4.4401 -4.4401 -4.4400 -4.4400 -1.8736 -1.8736 -1.8728 -1.8728 3.3330 3.3330 3.3333 3.3333 6.6075 6.6075 6.6077 6.6077 7.2098 7.2098 7.2119 7.2119 8.0942 8.0942 8.0945 8.0945 8.9912 8.9912 8.9939 8.9939 9.8342 9.8342 9.8378 9.8378 10.3543 10.3543 10.3610 10.3610 10.9246 10.9246 10.9330 10.9330 12.6923 12.6923 12.6973 12.6973 13.0348 13.0348 13.0461 13.0461 k = 0.0106 0.3812-0.0000 ( 2904 PWs) bands (ev): -4.4419 -4.4419 -4.4419 -4.4419 -1.8747 -1.8747 -1.8744 -1.8744 3.3301 3.3301 3.3303 3.3303 6.6152 6.6152 6.6153 6.6153 7.2106 7.2106 7.2117 7.2117 8.0981 8.0981 8.0983 8.0983 9.0049 9.0049 9.0063 9.0063 9.8283 9.8283 9.8302 9.8302 10.3575 10.3575 10.3610 10.3610 10.9277 10.9277 10.9320 10.9320 12.7348 12.7348 12.7387 12.7387 13.0009 13.0009 13.0078 13.0078 k = 0.0000 0.3812-0.0000 ( 2918 PWs) bands (ev): -4.4426 -4.4426 -4.4426 -4.4426 -1.8750 -1.8750 -1.8750 -1.8750 3.3292 3.3292 3.3292 3.3292 6.6177 6.6177 6.6179 6.6179 7.2112 7.2112 7.2113 7.2113 8.0993 8.0993 8.0994 8.0994 9.0099 9.0099 9.0100 9.0100 9.8267 9.8267 9.8270 9.8270 10.3595 10.3595 10.3599 10.3599 10.9301 10.9301 10.9303 10.9303 12.7537 12.7537 12.7540 12.7540 12.9891 12.9891 12.9892 12.9892 k = 0.0000 0.3812-0.0000 ( 2918 PWs) bands (ev): -4.4426 -4.4426 -4.4426 -4.4426 -1.8750 -1.8750 -1.8750 -1.8750 3.3292 3.3292 3.3292 3.3292 6.6177 6.6177 6.6179 6.6179 7.2112 7.2112 7.2113 7.2113 8.0993 8.0993 8.0994 8.0994 9.0099 9.0099 9.0100 9.0100 9.8267 9.8267 9.8270 9.8270 10.3595 10.3595 10.3599 10.3599 10.9301 10.9301 10.9303 10.9303 12.7537 12.7537 12.7540 12.7540 12.9891 12.9891 12.9892 12.9892 k = 0.0000 0.3706-0.0000 ( 2904 PWs) bands (ev): -4.5071 -4.5071 -4.3780 -4.3780 -1.8925 -1.8925 -1.8562 -1.8562 3.3141 3.3141 3.3483 3.3483 6.6046 6.6046 6.6325 6.6325 7.1675 7.1675 7.2394 7.2394 8.0348 8.0348 8.1750 8.1750 8.9612 8.9612 9.0577 9.0577 9.7895 9.7895 9.8615 9.8615 10.3563 10.3563 10.3625 10.3625 10.8916 10.8916 10.9655 10.9655 12.7116 12.7116 12.8008 12.8008 12.9810 12.9810 12.9962 12.9962 k = 0.0000 0.3600-0.0000 ( 2892 PWs) bands (ev): -4.5713 -4.5713 -4.3135 -4.3135 -1.9085 -1.9085 -1.8366 -1.8366 3.3032 3.3032 3.3714 3.3714 6.5928 6.5928 6.6487 6.6487 7.1064 7.1064 7.2546 7.2546 7.9835 7.9835 8.2583 8.2583 8.9116 8.9116 9.1041 9.1041 9.7498 9.7498 9.8932 9.8932 10.3519 10.3519 10.3642 10.3642 10.8505 10.8505 10.9966 10.9966 12.6751 12.6751 12.8515 12.8515 12.9723 12.9723 13.0018 13.0018 k = 0.0000 0.3494-0.0000 ( 2892 PWs) bands (ev): -4.6350 -4.6350 -4.2496 -4.2496 -1.9226 -1.9226 -1.8163 -1.8163 3.2967 3.2967 3.3982 3.3982 6.5824 6.5824 6.6662 6.6662 7.0280 7.0280 7.2597 7.2597 7.9457 7.9457 8.3455 8.3455 8.8608 8.8608 9.1492 9.1492 9.7080 9.7080 9.9220 9.9220 10.3465 10.3465 10.3651 10.3651 10.8077 10.8077 11.0223 11.0223 12.6456 12.6456 12.9048 12.9048 12.9635 12.9635 13.0054 13.0054 k = 0.0000 0.3388-0.0000 ( 2894 PWs) bands (ev): -4.6980 -4.6980 -4.1865 -4.1865 -1.9345 -1.9345 -1.7956 -1.7956 3.2946 3.2946 3.4286 3.4286 6.5735 6.5735 6.6850 6.6850 6.9339 6.9339 7.2572 7.2572 7.9203 7.9203 8.4329 8.4329 8.8092 8.8092 9.1929 9.1929 9.6650 9.6650 9.9478 9.9478 10.3402 10.3402 10.3652 10.3652 10.7637 10.7637 11.0417 11.0417 12.6240 12.6240 12.9513 12.9513 12.9636 12.9636 13.0068 13.0068 k = 0.0000 0.3282-0.0000 ( 2894 PWs) bands (ev): -4.7601 -4.7601 -4.1245 -4.1245 -1.9436 -1.9436 -1.7747 -1.7747 3.2971 3.2971 3.4624 3.4624 6.5661 6.5661 6.7052 6.7052 6.8268 6.8268 7.2490 7.2490 7.9048 7.9048 8.5168 8.5168 8.7568 8.7568 9.2351 9.2351 9.6222 9.6222 9.9707 9.9707 10.3329 10.3329 10.3646 10.3646 10.7191 10.7191 11.0539 11.0539 12.6116 12.6116 12.9456 12.9456 13.0047 13.0047 13.0186 13.0186 k = 0.0000 0.3176-0.0000 ( 2894 PWs) bands (ev): -4.8211 -4.8211 -4.0641 -4.0641 -1.9497 -1.9497 -1.7539 -1.7539 3.3042 3.3042 3.4994 3.4994 6.5602 6.5602 6.7083 6.7083 6.7278 6.7278 7.2368 7.2368 7.8968 7.8968 8.5935 8.5935 8.7038 8.7038 9.2758 9.2758 9.5815 9.5815 9.9906 9.9906 10.3249 10.3249 10.3634 10.3634 10.6744 10.6744 11.0583 11.0583 12.6090 12.6090 12.9389 12.9389 13.0000 13.0000 13.0758 13.0758 k = 0.0000 0.3070-0.0000 ( 2898 PWs) bands (ev): -4.8810 -4.8810 -4.0056 -4.0056 -1.9522 -1.9522 -1.7333 -1.7333 3.3161 3.3161 3.5395 3.5395 6.5558 6.5558 6.5838 6.5838 6.7498 6.7498 7.2216 7.2216 7.8940 7.8940 8.6487 8.6487 8.6597 8.6597 9.3147 9.3147 9.5459 9.5459 10.0076 10.0076 10.3162 10.3162 10.3616 10.3616 10.6299 10.6299 11.0544 11.0544 12.6167 12.6167 12.9336 12.9336 12.9904 12.9904 13.1337 13.1337 k = 0.0000 0.2965-0.0000 ( 2900 PWs) bands (ev): -4.9395 -4.9395 -3.9495 -3.9495 -1.9508 -1.9508 -1.7132 -1.7132 3.3328 3.3328 3.5824 3.5824 6.4527 6.4527 6.5528 6.5528 6.7738 6.7738 7.2042 7.2042 7.8946 7.8946 8.5957 8.5957 8.7068 8.7068 9.3517 9.3517 9.5195 9.5195 10.0217 10.0217 10.3070 10.3070 10.3593 10.3593 10.5858 10.5858 11.0424 11.0424 12.6349 12.6349 12.9303 12.9303 12.9748 12.9748 13.1353 13.1353 k = 0.0000 0.2859-0.0000 ( 2890 PWs) bands (ev): -4.9967 -4.9967 -3.8962 -3.8962 -1.9451 -1.9451 -1.6935 -1.6935 3.3544 3.3544 3.6280 3.6280 6.3172 6.3172 6.5514 6.5514 6.7990 6.7990 7.1852 7.1852 7.8972 7.8972 8.5411 8.5411 8.7329 8.7329 9.3866 9.3866 9.5068 9.5068 10.0327 10.0327 10.2976 10.2976 10.3567 10.3567 10.5427 10.5427 11.0226 11.0226 12.6631 12.6631 12.9272 12.9272 12.9533 12.9533 13.0883 13.0883 k = 0.0000 0.2753-0.0000 ( 2886 PWs) bands (ev): -5.0524 -5.0524 -3.8460 -3.8460 -1.9345 -1.9345 -1.6746 -1.6746 3.3809 3.3809 3.6759 3.6759 6.1787 6.1787 6.5515 6.5515 6.8254 6.8254 7.1652 7.1652 7.9007 7.9007 8.4863 8.4863 8.7335 8.7335 9.4191 9.4191 9.5110 9.5110 10.0402 10.0402 10.2884 10.2884 10.3538 10.3538 10.5005 10.5005 10.9958 10.9958 12.7008 12.7008 12.9079 12.9079 12.9417 12.9417 13.0507 13.0507 k = 0.0000 0.2647-0.0000 ( 2882 PWs) bands (ev): -5.1064 -5.1064 -3.7993 -3.7993 -1.9189 -1.9189 -1.6563 -1.6563 3.4124 3.4124 3.7260 3.7260 6.0381 6.0381 6.5531 6.5531 6.8528 6.8528 7.1446 7.1446 7.9044 7.9044 8.4312 8.4312 8.7083 8.7083 9.4492 9.4492 9.5314 9.5314 10.0441 10.0441 10.2798 10.2798 10.3508 10.3508 10.4596 10.4596 10.9629 10.9629 12.7470 12.7470 12.8689 12.8689 12.9464 12.9464 13.0209 13.0209 k = 0.0000 0.2541-0.0000 ( 2882 PWs) bands (ev): -5.1588 -5.1588 -3.7565 -3.7565 -1.8979 -1.8979 -1.6390 -1.6390 3.4488 3.4488 3.7779 3.7779 5.8964 5.8964 6.5561 6.5561 6.8813 6.8813 7.1235 7.1235 7.9075 7.9075 8.3761 8.3761 8.6602 8.6602 9.4775 9.4775 9.5642 9.5642 10.0439 10.0439 10.2723 10.2723 10.3477 10.3477 10.4200 10.4200 10.9251 10.9251 12.7992 12.7992 12.8260 12.8260 12.9563 12.9563 12.9958 12.9958 k = 0.0000 0.2435-0.0000 ( 2888 PWs) bands (ev): -5.2095 -5.2095 -3.7178 -3.7178 -1.8714 -1.8714 -1.6225 -1.6225 3.4901 3.4901 3.8314 3.8314 5.7542 5.7542 6.5606 6.5606 6.9106 6.9106 7.1022 7.1022 7.9097 7.9097 8.3209 8.3209 8.5936 8.5936 9.5040 9.5040 9.6048 9.6048 10.0395 10.0395 10.2661 10.2661 10.3446 10.3446 10.3822 10.3822 10.8833 10.8833 12.7776 12.7776 12.8627 12.8627 12.9599 12.9599 12.9832 12.9832 k = 0.0000 0.2329-0.0000 ( 2884 PWs) bands (ev): -5.2583 -5.2583 -3.6832 -3.6832 -1.8392 -1.8392 -1.6069 -1.6069 3.5363 3.5363 3.8862 3.8862 5.6123 5.6123 6.5665 6.5665 6.9410 6.9410 7.0809 7.0809 7.9104 7.9104 8.2658 8.2658 8.5128 8.5128 9.5283 9.5283 9.6492 9.6492 10.0308 10.0308 10.2611 10.2611 10.3397 10.3397 10.3490 10.3490 10.8388 10.8388 12.7336 12.7336 12.9257 12.9257 12.9419 12.9419 12.9994 12.9994 k = 0.0000 0.2223-0.0000 ( 2884 PWs) bands (ev): -5.3053 -5.3053 -3.6530 -3.6530 -1.8016 -1.8016 -1.5924 -1.5924 3.5874 3.5874 3.9417 3.9417 5.4713 5.4713 6.5739 6.5739 6.9720 6.9720 7.0599 7.0599 7.9094 7.9094 8.2109 8.2109 8.4208 8.4208 9.5501 9.5501 9.6946 9.6946 10.0178 10.0178 10.2558 10.2558 10.3130 10.3130 10.3417 10.3417 10.7926 10.7926 12.6914 12.6914 12.9107 12.9107 13.0013 13.0013 13.0249 13.0249 k = 0.0000 0.2118-0.0000 ( 2884 PWs) bands (ev): -5.3504 -5.3504 -3.6269 -3.6269 -1.7586 -1.7586 -1.5789 -1.5789 3.6433 3.6433 3.9974 3.9974 5.3322 5.3322 6.5827 6.5827 7.0038 7.0038 7.0391 7.0391 7.9063 7.9063 8.1563 8.1563 8.3202 8.3202 9.5691 9.5691 9.7388 9.7388 10.0012 10.0012 10.2457 10.2457 10.2889 10.2889 10.3407 10.3407 10.7455 10.7455 12.6517 12.6517 12.8820 12.8820 13.0548 13.0548 13.0773 13.0773 k = 0.0000 0.2012-0.0000 ( 2880 PWs) bands (ev): -5.3935 -5.3935 -3.6047 -3.6047 -1.7106 -1.7106 -1.5663 -1.5663 3.7039 3.7039 4.0524 4.0524 5.1959 5.1959 6.5930 6.5930 7.0185 7.0185 7.0364 7.0364 7.9011 7.9011 8.1021 8.1021 8.2127 8.2127 9.5850 9.5850 9.7806 9.7806 9.9815 9.9815 10.2250 10.2250 10.2778 10.2778 10.3413 10.3413 10.6986 10.6986 12.6147 12.6147 12.8513 12.8513 13.0903 13.0903 13.1560 13.1560 k = 0.0000 0.1906-0.0000 ( 2884 PWs) bands (ev): -5.4346 -5.4346 -3.5864 -3.5864 -1.6580 -1.6580 -1.5547 -1.5547 3.7692 3.7692 4.1057 4.1057 5.0639 5.0639 6.6045 6.6045 6.9987 6.9987 7.0691 7.0691 7.8933 7.8933 8.0484 8.0484 8.0996 8.0996 9.5976 9.5976 9.8189 9.8189 9.9595 9.9595 10.1980 10.1980 10.2747 10.2747 10.3438 10.3438 10.6527 10.6527 12.5805 12.5805 12.8191 12.8191 13.1298 13.1298 13.2375 13.2375 k = 0.0000 0.1800-0.0000 ( 2876 PWs) bands (ev): -5.4737 -5.4737 -3.5715 -3.5715 -1.6015 -1.6015 -1.5440 -1.5440 3.8389 3.8389 4.1551 4.1551 4.9382 4.9382 6.6175 6.6175 6.9793 6.9793 7.1024 7.1024 7.8826 7.8826 7.9821 7.9821 7.9960 7.9960 9.6067 9.6067 9.8524 9.8524 9.9368 9.9368 10.1702 10.1702 10.2739 10.2739 10.3483 10.3483 10.6086 10.6086 12.5492 12.5492 12.7856 12.7856 13.1730 13.1730 13.3211 13.3211 k = 0.0000 0.1694-0.0000 ( 2876 PWs) bands (ev): -5.5107 -5.5107 -3.5598 -3.5598 -1.5429 -1.5429 -1.5329 -1.5329 3.9130 3.9130 4.1969 4.1969 4.8228 4.8228 6.6317 6.6317 6.9604 6.9604 7.1357 7.1357 7.8513 7.8513 7.8795 7.8795 7.9438 7.9438 9.6121 9.6121 9.8763 9.8763 9.9187 9.9187 10.1430 10.1430 10.2734 10.2734 10.3550 10.3550 10.5669 10.5669 12.5206 12.5206 12.7514 12.7514 13.2195 13.2195 13.4060 13.4060 k = 0.0000 0.1588-0.0000 ( 2872 PWs) bands (ev): -5.5456 -5.5456 -3.5507 -3.5507 -1.5262 -1.5262 -1.4780 -1.4780 3.9914 3.9914 4.2240 4.2240 4.7251 4.7251 6.6472 6.6472 6.9420 6.9420 7.1691 7.1691 7.7332 7.7332 7.8570 7.8570 7.8939 7.8939 9.6138 9.6138 9.8708 9.8708 9.9255 9.9255 10.1170 10.1170 10.2727 10.2727 10.3637 10.3637 10.5285 10.5285 12.4943 12.4943 12.7167 12.7167 13.2685 13.2685 13.4917 13.4917 k = 0.0000 0.1482-0.0000 ( 2880 PWs) bands (ev): -5.5784 -5.5784 -3.5441 -3.5441 -1.5183 -1.5183 -1.4133 -1.4133 4.0739 4.0739 4.2241 4.2241 4.6574 4.6574 6.6638 6.6638 6.9240 6.9240 7.2022 7.2022 7.6071 7.6071 7.8303 7.8303 7.8529 7.8529 9.6116 9.6116 9.8476 9.8476 9.9459 9.9459 10.0925 10.0925 10.2716 10.2716 10.3738 10.3738 10.4939 10.4939 12.4702 12.4702 12.6821 12.6821 13.3193 13.3193 13.5772 13.5772 k = 0.0000 0.1376-0.0000 ( 2876 PWs) bands (ev): -5.6090 -5.6090 -3.5394 -3.5394 -1.5112 -1.5112 -1.3472 -1.3472 4.1599 4.1599 4.1873 4.1873 4.6302 4.6302 6.6815 6.6815 6.9062 6.9062 7.2349 7.2349 7.4794 7.4794 7.7864 7.7864 7.8287 7.8287 9.6057 9.6057 9.8218 9.8218 9.9659 9.9659 10.0696 10.0696 10.2702 10.2702 10.3846 10.3846 10.4640 10.4640 12.4481 12.4481 12.6482 12.6482 13.3713 13.3713 13.6622 13.6622 k = 0.0000 0.1271-0.0000 ( 2876 PWs) bands (ev): -5.6374 -5.6374 -3.5364 -3.5364 -1.5049 -1.5049 -1.2807 -1.2807 4.1175 4.1175 4.2504 4.2504 4.6384 4.6384 6.7003 6.7003 6.8880 6.8880 7.2670 7.2670 7.3514 7.3514 7.7390 7.7390 7.8076 7.8076 9.5963 9.5963 9.7958 9.7958 9.9832 9.9832 10.0484 10.0484 10.2685 10.2685 10.3942 10.3942 10.4405 10.4405 12.4273 12.4273 12.6155 12.6155 13.4237 13.4237 13.7459 13.7459 k = 0.0000 0.1165-0.0000 ( 2878 PWs) bands (ev): -5.6637 -5.6637 -3.5347 -3.5347 -1.4994 -1.4994 -1.2145 -1.2145 4.0313 4.0313 4.3439 4.3439 4.6671 4.6671 6.7199 6.7199 6.8682 6.8682 7.2248 7.2248 7.2984 7.2984 7.6921 7.6921 7.7860 7.7860 9.5837 9.5837 9.7704 9.7704 9.9978 9.9978 10.0290 10.0290 10.2666 10.2666 10.3954 10.3954 10.4302 10.4302 12.4076 12.4076 12.5848 12.5848 13.4757 13.4757 13.8273 13.8273 k = 0.0000 0.1059-0.0000 ( 2878 PWs) bands (ev): -5.6877 -5.6877 -3.5340 -3.5340 -1.4946 -1.4946 -1.1496 -1.1496 3.9395 3.9395 4.4405 4.4405 4.7052 4.7052 6.7402 6.7402 6.8435 6.8435 7.1042 7.1042 7.3285 7.3285 7.6466 7.6466 7.7638 7.7638 9.5686 9.5686 9.7463 9.7463 10.0061 10.0061 10.0151 10.0151 10.2646 10.2646 10.3844 10.3844 10.4364 10.4364 12.3887 12.3887 12.5565 12.5565 13.5265 13.5265 13.9049 13.9049 k = 0.0000 0.0953-0.0000 ( 2870 PWs) bands (ev): -5.7094 -5.7094 -3.5341 -3.5341 -1.4904 -1.4904 -1.0869 -1.0869 3.8482 3.8482 4.5400 4.5400 4.7468 4.7468 6.7604 6.7604 6.8048 6.8048 6.9992 6.9992 7.3571 7.3571 7.6027 7.6027 7.7413 7.7413 9.5516 9.5516 9.7236 9.7236 9.9933 9.9933 10.0220 10.0220 10.2626 10.2626 10.3715 10.3715 10.4483 10.4483 12.3701 12.3701 12.5313 12.5313 13.5753 13.5753 13.9721 13.9721 k = 0.0000 0.0847-0.0000 ( 2876 PWs) bands (ev): -5.7289 -5.7289 -3.5348 -3.5348 -1.4867 -1.4867 -1.0272 -1.0272 3.7609 3.7609 4.6416 4.6416 4.7889 4.7889 6.7305 6.7305 6.7846 6.7846 6.9280 6.9280 7.3839 7.3839 7.5607 7.5607 7.7190 7.7190 9.5335 9.5335 9.7027 9.7027 9.9789 9.9789 10.0301 10.0301 10.2605 10.2605 10.3603 10.3603 10.4612 10.4612 12.3518 12.3518 12.5095 12.5095 13.6214 13.6214 14.0069 14.0069 k = 0.0000 0.0741-0.0000 ( 2876 PWs) bands (ev): -5.7462 -5.7462 -3.5358 -3.5358 -1.4836 -1.4836 -0.9715 -0.9715 3.6798 3.6798 4.7446 4.7446 4.8298 4.8298 6.6283 6.6283 6.8050 6.8050 6.8910 6.8910 7.4087 7.4087 7.5211 7.5211 7.6974 7.6974 9.5150 9.5150 9.6838 9.6838 9.9661 9.9661 10.0369 10.0369 10.2586 10.2586 10.3514 10.3514 10.4738 10.4738 12.3339 12.3339 12.4912 12.4912 13.6641 13.6641 14.0269 14.0269 k = 0.0000 0.0635-0.0000 ( 2876 PWs) bands (ev): -5.7611 -5.7611 -3.5371 -3.5371 -1.4811 -1.4811 -0.9208 -0.9208 3.6065 3.6065 4.8427 4.8427 4.8736 4.8736 6.5119 6.5119 6.8257 6.8257 6.8709 6.8709 7.4307 7.4307 7.4846 7.4846 7.6770 7.6770 9.4970 9.4970 9.6671 9.6671 9.9550 9.9550 10.0423 10.0423 10.2569 10.2569 10.3446 10.3446 10.4858 10.4858 12.3167 12.3167 12.4764 12.4764 13.7026 13.7026 14.0429 14.0429 k = 0.0000 0.0529-0.0000 ( 2876 PWs) bands (ev): -5.7738 -5.7738 -3.5383 -3.5383 -1.4789 -1.4789 -0.8759 -0.8759 3.5422 3.5422 4.8937 4.8937 4.9603 4.9603 6.3929 6.3929 6.8447 6.8447 6.8590 6.8590 7.4443 7.4443 7.4571 7.4571 7.6586 7.6586 9.4803 9.4803 9.6528 9.6528 9.9455 9.9455 10.0466 10.0466 10.2555 10.2555 10.3394 10.3394 10.4967 10.4967 12.3009 12.3009 12.4647 12.4647 13.7364 13.7364 14.0561 14.0561 k = 0.0000 0.0424-0.0000 ( 2881 PWs) bands (ev): -5.7842 -5.7842 -3.5395 -3.5395 -1.4772 -1.4772 -0.8378 -0.8378 3.4881 3.4881 4.9234 4.9234 5.0616 5.0616 6.2767 6.2767 6.8474 6.8474 6.8657 6.8657 7.4198 7.4198 7.4687 7.4687 7.6425 7.6425 9.4656 9.4656 9.6409 9.6409 9.9377 9.9377 10.0499 10.0499 10.2542 10.2542 10.3356 10.3356 10.5059 10.5059 12.2869 12.2869 12.4557 12.4557 13.7649 13.7649 14.0668 14.0668 k = 0.0000 0.0318-0.0000 ( 2881 PWs) bands (ev): -5.7923 -5.7923 -3.5406 -3.5406 -1.4760 -1.4760 -0.8073 -0.8073 3.4450 3.4450 4.9463 4.9463 5.1587 5.1587 6.1682 6.1682 6.8416 6.8416 6.8811 6.8811 7.3955 7.3955 7.4816 7.4816 7.6294 7.6294 9.4535 9.4535 9.6316 9.6316 9.9317 9.9317 10.0523 10.0523 10.2533 10.2533 10.3330 10.3330 10.5134 10.5134 12.2754 12.2754 12.4491 12.4491 13.7875 13.7875 14.0751 14.0751 k = 0.0000 0.0212-0.0000 ( 2883 PWs) bands (ev): -5.7981 -5.7981 -3.5413 -3.5413 -1.4751 -1.4751 -0.7849 -0.7849 3.4136 3.4136 4.9629 4.9629 5.2443 5.2443 6.0741 6.0741 6.8374 6.8374 6.8935 6.8935 7.3769 7.3769 7.4912 7.4912 7.6197 7.6197 9.4444 9.4444 9.6249 9.6249 9.9273 9.9273 10.0539 10.0539 10.2526 10.2526 10.3313 10.3313 10.5189 10.5189 12.2669 12.2669 12.4446 12.4446 13.8040 13.8040 14.0810 14.0810 k = 0.0000 0.0106-0.0000 ( 2881 PWs) bands (ev): -5.8015 -5.8015 -3.5418 -3.5418 -1.4745 -1.4745 -0.7713 -0.7713 3.3946 3.3946 4.9730 4.9730 5.3071 5.3071 6.0063 6.0063 6.8349 6.8349 6.9014 6.9014 7.3652 7.3652 7.4970 7.4970 7.6138 7.6138 9.4388 9.4388 9.6209 9.6209 9.9247 9.9247 10.0548 10.0548 10.2523 10.2523 10.3303 10.3303 10.5223 10.5223 12.2616 12.2616 12.4420 12.4420 13.8140 13.8140 14.0845 14.0845 k = 0.0000 0.0000 0.0000 ( 2877 PWs) bands (ev): -5.8027 -5.8027 -3.5420 -3.5420 -1.4743 -1.4743 -0.7667 -0.7667 3.3882 3.3882 4.9764 4.9764 5.3310 5.3310 5.9807 5.9807 6.8341 6.8341 6.9042 6.9042 7.3613 7.3613 7.4990 7.4990 7.6117 7.6117 9.4370 9.4370 9.6196 9.6196 9.9239 9.9239 10.0551 10.0551 10.2522 10.2522 10.3300 10.3300 10.5236 10.5236 12.2598 12.2598 12.4412 12.4412 13.8173 13.8173 14.0857 14.0857 k = 0.0000 0.0000 0.0000 ( 2877 PWs) bands (ev): -5.8027 -5.8027 -3.5420 -3.5420 -1.4743 -1.4743 -0.7667 -0.7667 3.3882 3.3882 4.9764 4.9764 5.3310 5.3310 5.9807 5.9807 6.8341 6.8341 6.9042 6.9042 7.3613 7.3613 7.4990 7.4990 7.6117 7.6117 9.4370 9.4370 9.6196 9.6196 9.9239 9.9239 10.0551 10.0551 10.2522 10.2522 10.3300 10.3300 10.5236 10.5236 12.2598 12.2598 12.4412 12.4412 13.8173 13.8173 14.0857 14.0857 k = 0.0000 0.0000 0.0108 ( 2883 PWs) bands (ev): -5.8016 -5.8016 -3.5450 -3.5450 -1.4725 -1.4725 -0.7667 -0.7667 3.3885 3.3885 4.9786 4.9786 5.3279 5.3279 5.9823 5.9823 6.8253 6.8253 6.9045 6.9045 7.3608 7.3608 7.4997 7.4997 7.6227 7.6227 9.4293 9.4293 9.6212 9.6212 9.9311 9.9311 10.0550 10.0550 10.2512 10.2512 10.3302 10.3302 10.5223 10.5223 12.2591 12.2591 12.4402 12.4402 13.8169 13.8169 14.0844 14.0844 k = 0.0000 0.0000 0.0215 ( 2881 PWs) bands (ev): -5.7982 -5.7982 -3.5540 -3.5540 -1.4671 -1.4671 -0.7667 -0.7667 3.3895 3.3895 4.9851 4.9851 5.3188 5.3188 5.9870 5.9870 6.8006 6.8006 6.9054 6.9054 7.3595 7.3595 7.5020 7.5020 7.6538 7.6538 9.4076 9.4076 9.6261 9.6261 9.9517 9.9517 10.0545 10.0545 10.2485 10.2485 10.3312 10.3312 10.5187 10.5187 12.2569 12.2569 12.4374 12.4374 13.8158 13.8158 14.0805 14.0805 k = 0.0000 0.0000 0.0323 ( 2883 PWs) bands (ev): -5.7925 -5.7925 -3.5689 -3.5689 -1.4582 -1.4582 -0.7667 -0.7667 3.3912 3.3912 4.9959 4.9959 5.3036 5.3036 5.9948 5.9948 6.7640 6.7640 6.9067 6.9067 7.3573 7.3573 7.5058 7.5058 7.7012 7.7012 9.3749 9.3749 9.6340 9.6340 9.9825 9.9825 10.0537 10.0537 10.2435 10.2435 10.3330 10.3330 10.5127 10.5127 12.2534 12.2534 12.4326 12.4326 13.8139 13.8139 14.0740 14.0740 k = 0.0000 0.0000 0.0431 ( 2894 PWs) bands (ev): -5.7847 -5.7847 -3.5893 -3.5893 -1.4461 -1.4461 -0.7667 -0.7667 3.3936 3.3936 5.0108 5.0108 5.2824 5.2824 6.0058 6.0058 6.7198 6.7198 6.9084 6.9084 7.3542 7.3542 7.5111 7.5111 7.7602 7.7602 9.3345 9.3345 9.6449 9.6449 10.0201 10.0201 10.0528 10.0528 10.2360 10.2360 10.3360 10.3360 10.5045 10.5045 12.2486 12.2486 12.4259 12.4259 13.8111 13.8111 14.0651 14.0651 k = 0.0000 0.0000 0.0538 ( 2892 PWs) bands (ev): -5.7745 -5.7745 -3.6151 -3.6151 -1.4310 -1.4310 -0.7668 -0.7668 3.3967 3.3967 5.0298 5.0298 5.2553 5.2553 6.0200 6.0200 6.6717 6.6717 6.9104 6.9104 7.3504 7.3504 7.5180 7.5180 7.8269 7.8269 9.2888 9.2888 9.6586 9.6586 10.0494 10.0494 10.0648 10.0648 10.2258 10.2258 10.3405 10.3405 10.4942 10.4942 12.2427 12.2427 12.4175 12.4175 13.8075 13.8075 14.0541 14.0541 k = 0.0000 0.0000 0.0646 ( 2888 PWs) bands (ev): -5.7622 -5.7622 -3.6459 -3.6459 -1.4132 -1.4132 -0.7669 -0.7669 3.4005 3.4005 5.0526 5.0526 5.2226 5.2226 6.0376 6.0376 6.6224 6.6224 6.9129 6.9129 7.3457 7.3457 7.5264 7.5264 7.8980 7.8980 9.2397 9.2397 9.6750 9.6750 10.0490 10.0490 10.1088 10.1088 10.2129 10.2129 10.3463 10.3463 10.4819 10.4819 12.2361 12.2361 12.4076 12.4076 13.8031 13.8031 14.0410 14.0410 k = 0.0000 0.0000 0.0754 ( 2904 PWs) bands (ev): -5.7476 -5.7476 -3.6812 -3.6812 -1.3930 -1.3930 -0.7671 -0.7671 3.4050 3.4050 5.0784 5.0784 5.1850 5.1850 6.0585 6.0585 6.5737 6.5737 6.9159 6.9159 7.3402 7.3402 7.5362 7.5362 7.9711 7.9711 9.1883 9.1883 9.6940 9.6940 10.0474 10.0474 10.1544 10.1544 10.1976 10.1976 10.3536 10.3536 10.4677 10.4677 12.2289 12.2289 12.3960 12.3960 13.7977 13.7977 14.0262 14.0262 k = 0.0000 0.0000 0.0861 ( 2900 PWs) bands (ev): -5.7308 -5.7308 -3.7207 -3.7207 -1.3708 -1.3708 -0.7673 -0.7673 3.4103 3.4103 5.1024 5.1024 5.1473 5.1473 6.0830 6.0830 6.5269 6.5269 6.9193 6.9193 7.3340 7.3340 7.5476 7.5476 8.0442 8.0442 9.1355 9.1355 9.7154 9.7154 10.0457 10.0457 10.1749 10.1749 10.2054 10.2054 10.3618 10.3618 10.4524 10.4524 12.2215 12.2215 12.3832 12.3832 13.7913 13.7913 14.0100 14.0100 k = 0.0000 0.0000 0.0969 ( 2900 PWs) bands (ev): -5.7119 -5.7119 -3.7640 -3.7640 -1.3469 -1.3469 -0.7678 -0.7678 3.4164 3.4164 5.0826 5.0826 5.1520 5.1520 6.1111 6.1111 6.4827 6.4827 6.9231 6.9231 7.3270 7.3270 7.5605 7.5605 8.1154 8.1154 9.0818 9.0818 9.7390 9.7390 10.0438 10.0438 10.1551 10.1551 10.2506 10.2506 10.3701 10.3701 10.4368 10.4368 12.2142 12.2142 12.3691 12.3691 13.7839 13.7839 13.9925 13.9925 k = 0.0000 0.0000 0.1077 ( 2900 PWs) bands (ev): -5.6907 -5.6907 -3.8106 -3.8106 -1.3217 -1.3217 -0.7684 -0.7684 3.4233 3.4233 5.0320 5.0320 5.1857 5.1857 6.1430 6.1430 6.4412 6.4412 6.9275 6.9275 7.3194 7.3194 7.5749 7.5749 8.1831 8.1831 9.0278 9.0278 9.7646 9.7646 10.0415 10.0415 10.1323 10.1323 10.2962 10.2962 10.3758 10.3758 10.4241 10.4241 12.2072 12.2072 12.3541 12.3541 13.7754 13.7754 13.9735 13.9735 k = 0.0000 0.0000 0.1184 ( 2900 PWs) bands (ev): -5.6674 -5.6674 -3.8602 -3.8602 -1.2955 -1.2955 -0.7692 -0.7692 3.4313 3.4313 4.9754 4.9754 5.2243 5.2243 6.1790 6.1790 6.4028 6.4028 6.9323 6.9323 7.3110 7.3110 7.5907 7.5907 8.2458 8.2458 8.9736 8.9736 9.7920 9.7920 10.0380 10.0380 10.1090 10.1090 10.3401 10.3401 10.3720 10.3720 10.4212 10.4212 12.2009 12.2009 12.3383 12.3383 13.7659 13.7659 13.9500 13.9500 k = 0.0000 0.0000 0.1292 ( 2902 PWs) bands (ev): -5.6420 -5.6420 -3.9123 -3.9123 -1.2686 -1.2686 -0.7702 -0.7702 3.4403 3.4403 4.9149 4.9149 5.2655 5.2655 6.2193 6.2193 6.3672 6.3672 6.9376 6.9376 7.3020 7.3020 7.6079 7.6079 8.3020 8.3020 8.9194 8.9194 9.8208 9.8208 10.0314 10.0314 10.0881 10.0881 10.3554 10.3554 10.3833 10.3833 10.4302 10.4302 12.1955 12.1955 12.3219 12.3219 13.7551 13.7551 13.9016 13.9016 k = 0.0000 0.0000 0.1400 ( 2904 PWs) bands (ev): -5.6144 -5.6144 -3.9666 -3.9666 -1.2413 -1.2413 -0.7716 -0.7716 3.4504 3.4504 4.8517 4.8517 5.3085 5.3085 6.2640 6.2640 6.3342 6.3342 6.9434 6.9434 7.2924 7.2924 7.6266 7.6266 8.3501 8.3501 8.8656 8.8656 9.8507 9.8507 10.0180 10.0180 10.0744 10.0744 10.3355 10.3355 10.4200 10.4200 10.4472 10.4472 12.1912 12.1912 12.3052 12.3052 13.7431 13.7431 13.8321 13.8321 k = 0.0000 0.0000 0.1507 ( 2902 PWs) bands (ev): -5.5848 -5.5848 -4.0228 -4.0228 -1.2137 -1.2137 -0.7733 -0.7733 3.4618 3.4618 4.7863 4.7863 5.3528 5.3528 6.3023 6.3023 6.3146 6.3146 6.9497 6.9497 7.2824 7.2824 7.6466 7.6466 8.3885 8.3885 8.8122 8.8122 9.8813 9.8813 9.9976 9.9976 10.0692 10.0692 10.3130 10.3130 10.4471 10.4471 10.4745 10.4745 12.1881 12.1881 12.2883 12.2883 13.7298 13.7298 13.7632 13.7632 k = 0.0000 0.0000 0.1615 ( 2894 PWs) bands (ev): -5.5532 -5.5532 -4.0805 -4.0805 -1.1862 -1.1862 -0.7754 -0.7754 3.4746 3.4746 4.7196 4.7196 5.3977 5.3977 6.2745 6.2745 6.3681 6.3681 6.9565 6.9565 7.2718 7.2718 7.6681 7.6681 8.4157 8.4157 8.7594 8.7594 9.9120 9.9120 9.9749 9.9749 10.0694 10.0694 10.2896 10.2896 10.4671 10.4671 10.5078 10.5078 12.1862 12.1862 12.2717 12.2717 13.6981 13.6981 13.7156 13.7156 k = 0.0000 0.0000 0.1723 ( 2886 PWs) bands (ev): -5.5195 -5.5195 -4.1394 -4.1394 -1.1590 -1.1590 -0.7780 -0.7780 3.4889 3.4889 4.6519 4.6519 5.4427 5.4427 6.2474 6.2474 6.4276 6.4276 6.9637 6.9637 7.2607 7.2607 7.6909 7.6909 8.4305 8.4305 8.7072 8.7072 9.9379 9.9379 9.9577 9.9577 10.0728 10.0728 10.2657 10.2657 10.4858 10.4858 10.5406 10.5406 12.1855 12.1855 12.2555 12.2555 13.6386 13.6386 13.6997 13.6997 k = 0.0000 0.0000 0.1830 ( 2886 PWs) bands (ev): -5.4838 -5.4838 -4.1993 -4.1993 -1.1321 -1.1321 -0.7811 -0.7811 3.5049 3.5049 4.5839 4.5839 5.4875 5.4875 6.2216 6.2216 6.4923 6.4923 6.9715 6.9715 7.2492 7.2492 7.7150 7.7150 8.4318 8.4318 8.6557 8.6557 9.9283 9.9283 9.9780 9.9780 10.0782 10.0782 10.2417 10.2417 10.5044 10.5044 10.5711 10.5711 12.1856 12.1856 12.2400 12.2400 13.5847 13.5847 13.6827 13.6827 k = 0.0000 0.0000 0.1938 ( 2882 PWs) bands (ev): -5.4462 -5.4462 -4.2600 -4.2600 -1.1058 -1.1058 -0.7848 -0.7848 3.5227 3.5227 4.5161 4.5161 5.5315 5.5315 6.1968 6.1968 6.5622 6.5622 6.9797 6.9797 7.2374 7.2374 7.7405 7.7405 8.4191 8.4191 8.6050 8.6050 9.9126 9.9126 10.0075 10.0075 10.0851 10.0851 10.2183 10.2183 10.5230 10.5230 10.5988 10.5988 12.1863 12.1863 12.2257 12.2257 13.5370 13.5370 13.6644 13.6644 k = 0.0000 0.0000 0.2045 ( 2890 PWs) bands (ev): -5.4067 -5.4067 -4.3211 -4.3211 -1.0802 -1.0802 -0.7891 -0.7891 3.5425 3.5425 4.4489 4.4489 5.5746 5.5746 6.1727 6.1727 6.6372 6.6372 6.9884 6.9884 7.2252 7.2252 7.7673 7.7673 8.3924 8.3924 8.5550 8.5550 9.9006 9.9006 10.0365 10.0365 10.0922 10.0922 10.1964 10.1964 10.5416 10.5416 10.6234 10.6234 12.1870 12.1870 12.2126 12.2126 13.4956 13.4956 13.6449 13.6449 k = 0.0000 0.0000 0.2153 ( 2898 PWs) bands (ev): -5.3654 -5.3654 -4.3825 -4.3825 -1.0555 -1.0555 -0.7941 -0.7941 3.5643 3.5643 4.3826 4.3826 5.6163 5.6163 6.1490 6.1490 6.7173 6.7173 6.9976 6.9976 7.2127 7.2127 7.7953 7.7953 8.3522 8.3522 8.5057 8.5057 9.8928 9.8928 10.0639 10.0639 10.0978 10.0978 10.1777 10.1777 10.5602 10.5602 10.6447 10.6447 12.1868 12.1868 12.2018 12.2018 13.4609 13.4609 13.6244 13.6244 k = 0.0000 0.0000 0.2261 ( 2902 PWs) bands (ev): -5.3222 -5.3222 -4.4440 -4.4440 -1.0316 -1.0316 -0.7999 -0.7999 3.5883 3.5883 4.3176 4.3176 5.6566 5.6566 6.1256 6.1256 6.8020 6.8020 7.0073 7.0073 7.2001 7.2001 7.8246 7.8246 8.2996 8.2996 8.4571 8.4571 9.8892 9.8892 10.0885 10.0885 10.0989 10.0989 10.1662 10.1662 10.5787 10.5787 10.6627 10.6627 12.1836 12.1836 12.1952 12.1952 13.4329 13.4329 13.6028 13.6028 k = 0.0000 0.0000 0.2368 ( 2904 PWs) bands (ev): -5.2773 -5.2773 -4.5054 -4.5054 -1.0087 -1.0087 -0.8065 -0.8065 3.6147 3.6147 4.2541 4.2541 5.6954 5.6954 6.1022 6.1022 6.8910 6.8910 7.0174 7.0174 7.1873 7.1873 7.8552 7.8552 8.2358 8.2358 8.4093 8.4093 9.8894 9.8894 10.0876 10.0876 10.1141 10.1141 10.1648 10.1648 10.5966 10.5966 10.6773 10.6773 12.1774 12.1774 12.1928 12.1928 13.4117 13.4117 13.5804 13.5804 k = 0.0000 0.0000 0.2476 ( 2904 PWs) bands (ev): -5.2307 -5.2307 -4.5665 -4.5665 -0.9869 -0.9869 -0.8140 -0.8140 3.6434 3.6434 4.1925 4.1925 5.7326 5.7326 6.0786 6.0786 6.9836 6.9836 7.0284 7.0284 7.1745 7.1745 7.8870 7.8870 8.1622 8.1622 8.3625 8.3625 9.8929 9.8929 10.0719 10.0719 10.1348 10.1348 10.1709 10.1709 10.6139 10.6139 10.6886 10.6886 12.1714 12.1714 12.1911 12.1911 13.3971 13.3971 13.5574 13.5574 k = 0.0000 0.0000 0.2584 ( 2910 PWs) bands (ev): -5.1825 -5.1825 -4.6271 -4.6271 -0.9661 -0.9661 -0.8224 -0.8224 3.6747 3.6747 4.1329 4.1329 5.7683 5.7683 6.0547 6.0547 7.0374 7.0374 7.0819 7.0819 7.1615 7.1615 7.9199 7.9199 8.0804 8.0804 8.3166 8.3166 9.8992 9.8992 10.0531 10.0531 10.1531 10.1531 10.1799 10.1799 10.6303 10.6303 10.6965 10.6965 12.1669 12.1669 12.1889 12.1889 13.3890 13.3890 13.5340 13.5340 k = 0.0000 0.0000 0.2691 ( 2910 PWs) bands (ev): -5.1326 -5.1326 -4.6872 -4.6872 -0.9465 -0.9465 -0.8317 -0.8317 3.7086 3.7086 4.0756 4.0756 5.8024 5.8024 6.0303 6.0303 7.0492 7.0492 7.1484 7.1484 7.1809 7.1809 7.9525 7.9525 7.9932 7.9932 8.2719 8.2719 9.9079 9.9079 10.0335 10.0335 10.1688 10.1688 10.1888 10.1888 10.6457 10.6457 10.7013 10.7013 12.1642 12.1642 12.1858 12.1858 13.3868 13.3868 13.5107 13.5107 k = 0.0000 0.0000 0.2799 ( 2908 PWs) bands (ev): -5.0813 -5.0813 -4.7466 -4.7466 -0.9281 -0.9281 -0.8421 -0.8421 3.7451 3.7451 4.0206 4.0206 5.8350 5.8350 6.0052 6.0052 7.0609 7.0609 7.1355 7.1355 7.2824 7.2824 7.8958 7.8958 7.9913 7.9913 8.2283 8.2283 9.9187 9.9187 10.0141 10.0141 10.1818 10.1818 10.1964 10.1964 10.6597 10.6597 10.7031 10.7031 12.1633 12.1633 12.1821 12.1821 13.3901 13.3901 13.4877 13.4877 k = 0.0000 0.0000 0.2907 ( 2912 PWs) bands (ev): -5.0286 -5.0286 -4.8051 -4.8051 -0.9109 -0.9109 -0.8536 -0.8536 3.7843 3.7843 3.9680 3.9680 5.8663 5.8663 5.9794 5.9794 7.0728 7.0728 7.1227 7.1227 7.3856 7.3856 7.7979 7.7979 8.0275 8.0275 8.1858 8.1858 9.9312 9.9312 9.9953 9.9953 10.1919 10.1919 10.2015 10.2015 10.6722 10.6722 10.7018 10.7018 12.1641 12.1641 12.1778 12.1778 13.3983 13.3983 13.4657 13.4657 k = 0.0000 0.0000 0.3014 ( 2916 PWs) bands (ev): -4.9745 -4.9745 -4.8627 -4.8627 -0.8948 -0.8948 -0.8662 -0.8662 3.8262 3.8262 3.9181 3.9181 5.8963 5.8963 5.9527 5.9527 7.0849 7.0849 7.1099 7.1099 7.4896 7.4896 7.6967 7.6967 8.0652 8.0652 8.1445 8.1445 9.9452 9.9452 9.9774 9.9774 10.1990 10.1990 10.2038 10.2038 10.6829 10.6829 10.6979 10.6979 12.1662 12.1662 12.1735 12.1735 13.4106 13.4106 13.4450 13.4450 k = 0.0000 0.0000 0.3122 ( 2918 PWs) bands (ev): -4.9192 -4.9192 -4.9192 -4.9192 -0.8799 -0.8799 -0.8799 -0.8799 3.8707 3.8707 3.8708 3.8708 5.9250 5.9250 5.9251 5.9251 7.0972 7.0972 7.0974 7.0974 7.5936 7.5936 7.5936 7.5936 8.1042 8.1042 8.1043 8.1043 9.9605 9.9605 9.9608 9.9608 10.2028 10.2028 10.2031 10.2031 10.6914 10.6914 10.6918 10.6918 12.1694 12.1694 12.1696 12.1696 13.4263 13.4263 13.4266 13.4266 k = 0.0000 0.0000 0.3122 ( 2918 PWs) bands (ev): -4.9192 -4.9192 -4.9192 -4.9192 -0.8799 -0.8799 -0.8799 -0.8799 3.8707 3.8707 3.8708 3.8708 5.9250 5.9250 5.9251 5.9251 7.0972 7.0972 7.0974 7.0974 7.5936 7.5936 7.5936 7.5936 8.1042 8.1042 8.1043 8.1043 9.9605 9.9605 9.9608 9.9608 10.2028 10.2028 10.2031 10.2031 10.6914 10.6914 10.6918 10.6918 12.1694 12.1694 12.1696 12.1696 13.4263 13.4263 13.4266 13.4266 k = 0.0106-0.0000 0.3122 ( 2916 PWs) bands (ev): -4.9184 -4.9184 -4.9184 -4.9184 -0.8801 -0.8801 -0.8799 -0.8799 3.8716 3.8716 3.8717 3.8717 5.9247 5.9247 5.9254 5.9254 7.0944 7.0944 7.0950 7.0950 7.5885 7.5885 7.5911 7.5911 8.1019 8.1019 8.1075 8.1075 9.9615 9.9615 9.9639 9.9639 10.2027 10.2027 10.2031 10.2031 10.6921 10.6921 10.6933 10.6933 12.1701 12.1701 12.1722 12.1722 13.4246 13.4246 13.4261 13.4261 k = 0.0213-0.0000 0.3122 ( 2916 PWs) bands (ev): -4.9160 -4.9160 -4.9159 -4.9159 -0.8804 -0.8804 -0.8801 -0.8801 3.8742 3.8742 3.8742 3.8742 5.9243 5.9243 5.9258 5.9258 7.0862 7.0862 7.0873 7.0873 7.5761 7.5761 7.5811 7.5811 8.1006 8.1006 8.1115 8.1115 9.9662 9.9662 9.9705 9.9705 10.2024 10.2024 10.2031 10.2031 10.6949 10.6949 10.6972 10.6972 12.1739 12.1739 12.1780 12.1780 13.4204 13.4204 13.4235 13.4235 k = 0.0319-0.0000 0.3122 ( 2908 PWs) bands (ev): -4.9120 -4.9120 -4.9119 -4.9119 -0.8809 -0.8809 -0.8804 -0.8804 3.8784 3.8784 3.8785 3.8785 5.9239 5.9239 5.9261 5.9261 7.0728 7.0728 7.0744 7.0744 7.5569 7.5569 7.5636 7.5636 8.1010 8.1010 8.1165 8.1165 9.9740 9.9740 9.9796 9.9796 10.2020 10.2020 10.2038 10.2038 10.7003 10.7003 10.7033 10.7033 12.1809 12.1809 12.1870 12.1870 13.4138 13.4138 13.4185 13.4185 k = 0.0426-0.0000 0.3122 ( 2904 PWs) bands (ev): -4.9064 -4.9064 -4.9063 -4.9063 -0.8816 -0.8816 -0.8810 -0.8810 3.8844 3.8844 3.8845 3.8845 5.9231 5.9231 5.9261 5.9261 7.0543 7.0543 7.0563 7.0563 7.5313 7.5313 7.5393 7.5393 8.1035 8.1035 8.1227 8.1227 9.9834 9.9834 9.9893 9.9893 10.2020 10.2020 10.2058 10.2058 10.7080 10.7080 10.7116 10.7116 12.1912 12.1912 12.1992 12.1992 13.4042 13.4042 13.4106 13.4106 k = 0.0532-0.0000 0.3122 ( 2904 PWs) bands (ev): -4.8992 -4.8992 -4.8991 -4.8991 -0.8825 -0.8825 -0.8817 -0.8817 3.8920 3.8920 3.8921 3.8921 5.9219 5.9219 5.9256 5.9256 7.0307 7.0307 7.0328 7.0328 7.5004 7.5004 7.5091 7.5091 8.1085 8.1085 8.1304 8.1304 9.9927 9.9927 9.9978 9.9978 10.2027 10.2027 10.2100 10.2100 10.7182 10.7182 10.7221 10.7221 12.2047 12.2047 12.2146 12.2146 13.3911 13.3911 13.3993 13.3993 k = 0.0638-0.0000 0.3122 ( 2908 PWs) bands (ev): -4.8904 -4.8904 -4.8904 -4.8904 -0.8835 -0.8835 -0.8826 -0.8826 3.9012 3.9012 3.9013 3.9013 5.9198 5.9198 5.9244 5.9244 7.0021 7.0021 7.0042 7.0042 7.4655 7.4655 7.4744 7.4744 8.1159 8.1159 8.1398 8.1398 10.0003 10.0003 10.0032 10.0032 10.2047 10.2047 10.2166 10.2166 10.7311 10.7311 10.7349 10.7349 12.2215 12.2215 12.2331 12.2331 13.3738 13.3738 13.3837 13.3837 k = 0.0745-0.0000 0.3122 ( 2908 PWs) bands (ev): -4.8802 -4.8802 -4.8801 -4.8801 -0.8848 -0.8848 -0.8837 -0.8837 3.9121 3.9121 3.9121 3.9121 5.9165 5.9165 5.9219 5.9219 6.9689 6.9689 6.9706 6.9706 7.4280 7.4280 7.4368 7.4368 8.1258 8.1258 8.1509 8.1509 10.0043 10.0043 10.0046 10.0046 10.2083 10.2083 10.2256 10.2256 10.7464 10.7464 10.7499 10.7499 12.2416 12.2416 12.2547 12.2547 13.3514 13.3514 13.3628 13.3628 k = 0.0851-0.0000 0.3122 ( 2906 PWs) bands (ev): -4.8683 -4.8683 -4.8682 -4.8682 -0.8863 -0.8863 -0.8851 -0.8851 3.9245 3.9245 3.9245 3.9245 5.9115 5.9115 5.9177 5.9177 6.9314 6.9314 6.9325 6.9325 7.3894 7.3894 7.3980 7.3980 8.1378 8.1378 8.1634 8.1634 10.0012 10.0012 10.0047 10.0047 10.2131 10.2131 10.2361 10.2361 10.7641 10.7641 10.7671 10.7671 12.2649 12.2649 12.2794 12.2794 13.3229 13.3229 13.3354 13.3354 k = 0.0957-0.0000 0.3122 ( 2898 PWs) bands (ev): -4.8550 -4.8550 -4.8549 -4.8549 -0.8880 -0.8880 -0.8867 -0.8867 3.9384 3.9384 3.9384 3.9384 5.9040 5.9040 5.9111 5.9111 6.8903 6.8903 6.8905 6.8905 7.3511 7.3511 7.3594 7.3594 8.1514 8.1514 8.1773 8.1773 9.9938 9.9938 10.0006 10.0006 10.2185 10.2185 10.2469 10.2469 10.7840 10.7840 10.7862 10.7862 12.2913 12.2913 12.3071 12.3071 13.2876 13.2876 13.3007 13.3007 k = 0.1064-0.0000 0.3122 ( 2892 PWs) bands (ev): -4.8403 -4.8403 -4.8401 -4.8401 -0.8901 -0.8901 -0.8885 -0.8885 3.9537 3.9537 3.9538 3.9538 5.8932 5.8932 5.9011 5.9011 6.8458 6.8458 6.8467 6.8467 7.3140 7.3140 7.3223 7.3223 8.1661 8.1661 8.1920 8.1920 9.9829 9.9829 9.9927 9.9927 10.2234 10.2234 10.2567 10.2567 10.8054 10.8054 10.8070 10.8070 12.3208 12.3208 12.3377 12.3377 13.2451 13.2451 13.2583 13.2583 k = 0.1170-0.0000 0.3122 ( 2892 PWs) bands (ev): -4.8241 -4.8241 -4.8239 -4.8239 -0.8924 -0.8924 -0.8907 -0.8907 3.9703 3.9703 3.9706 3.9706 5.8783 5.8783 5.8870 5.8870 6.7999 6.7999 6.8021 6.8021 7.2790 7.2790 7.2873 7.2873 8.1816 8.1816 8.2072 8.2072 9.9692 9.9692 9.9814 9.9814 10.2272 10.2272 10.2645 10.2645 10.8279 10.8279 10.8289 10.8289 12.3531 12.3531 12.3710 12.3710 13.1959 13.1959 13.2084 13.2084 k = 0.1277-0.0000 0.3122 ( 2892 PWs) bands (ev): -4.8065 -4.8065 -4.8063 -4.8063 -0.8950 -0.8950 -0.8932 -0.8932 3.9883 3.9883 3.9886 3.9886 5.8582 5.8582 5.8677 5.8677 6.7546 6.7546 6.7581 6.7581 7.2464 7.2464 7.2549 7.2549 8.1974 8.1974 8.2226 8.2226 9.9532 9.9532 9.9673 9.9673 10.2288 10.2288 10.2695 10.2695 10.8510 10.8510 10.8513 10.8513 12.3881 12.3881 12.4067 12.4067 13.1406 13.1406 13.1521 13.1521 k = 0.1383-0.0000 0.3122 ( 2888 PWs) bands (ev): -4.7875 -4.7875 -4.7873 -4.7873 -0.8979 -0.8979 -0.8960 -0.8960 4.0074 4.0074 4.0079 4.0079 5.8321 5.8321 5.8421 5.8421 6.7118 6.7118 6.7166 6.7166 7.2166 7.2166 7.2253 7.2253 8.2132 8.2132 8.2378 8.2378 9.9353 9.9353 9.9511 9.9511 10.2282 10.2282 10.2715 10.2715 10.8737 10.8737 10.8738 10.8738 12.4254 12.4254 12.4446 12.4446 13.0805 13.0805 13.0908 13.0908 k = 0.1489-0.0000 0.3122 ( 2888 PWs) bands (ev): -4.7673 -4.7673 -4.7670 -4.7670 -0.9012 -0.9012 -0.8992 -0.8992 4.0275 4.0275 4.0283 4.0283 5.7992 5.7992 5.8094 5.8094 6.6733 6.6733 6.6793 6.6793 7.1895 7.1895 7.1985 7.1985 8.2285 8.2285 8.2526 8.2526 9.9159 9.9159 9.9331 9.9331 10.2249 10.2249 10.2703 10.2703 10.8955 10.8955 10.8959 10.8959 12.4647 12.4647 12.4843 12.4843 13.0167 13.0167 13.0260 13.0260 k = 0.1596-0.0000 0.3122 ( 2894 PWs) bands (ev): -4.7458 -4.7458 -4.7455 -4.7455 -0.9049 -0.9049 -0.9028 -0.9028 4.0485 4.0485 4.0496 4.0496 5.7591 5.7591 5.7692 5.7692 6.6403 6.6403 6.6472 6.6472 7.1652 7.1652 7.1744 7.1744 8.2432 8.2432 8.2666 8.2666 9.8952 9.8952 9.9136 9.9136 10.2189 10.2189 10.2658 10.2658 10.9160 10.9160 10.9165 10.9165 12.5055 12.5055 12.5253 12.5253 12.9507 12.9507 12.9590 12.9590 k = 0.1702-0.0000 0.3122 ( 2886 PWs) bands (ev): -4.7231 -4.7231 -4.7228 -4.7228 -0.9089 -0.9089 -0.9067 -0.9067 4.0703 4.0703 4.0716 4.0716 5.7120 5.7120 5.7217 5.7217 6.6137 6.6137 6.6212 6.6212 7.1436 7.1436 7.1531 7.1531 8.2569 8.2569 8.2797 8.2797 9.8735 9.8735 9.8929 9.8929 10.2104 10.2104 10.2586 10.2586 10.9348 10.9348 10.9353 10.9353 12.5473 12.5473 12.5672 12.5672 12.8836 12.8836 12.8913 12.8913 k = 0.1809-0.0000 0.3122 ( 2884 PWs) bands (ev): -4.6992 -4.6992 -4.6989 -4.6989 -0.9134 -0.9134 -0.9112 -0.9112 4.0926 4.0926 4.0943 4.0943 5.6586 5.6586 5.6675 5.6675 6.5935 6.5935 6.6013 6.6013 7.1248 7.1248 7.1346 7.1346 8.2695 8.2695 8.2915 8.2915 9.8509 9.8509 9.8713 9.8713 10.1995 10.1995 10.2485 10.2485 10.9514 10.9514 10.9518 10.9518 12.5890 12.5890 12.6088 12.6088 12.8169 12.8169 12.8241 12.8241 k = 0.1915-0.0000 0.3122 ( 2884 PWs) bands (ev): -4.6743 -4.6743 -4.6740 -4.6740 -0.9184 -0.9184 -0.9160 -0.9160 4.1151 4.1151 4.1173 4.1173 5.5998 5.5998 5.6077 5.6077 6.5791 6.5791 6.5870 6.5870 7.1087 7.1087 7.1187 7.1187 8.2806 8.2806 8.3019 8.3019 9.8276 9.8276 9.8488 9.8488 10.1863 10.1863 10.2359 10.2359 10.9655 10.9655 10.9657 10.9657 12.6275 12.6275 12.6468 12.6468 12.7542 12.7542 12.7613 12.7613 k = 0.2021-0.0000 0.3122 ( 2896 PWs) bands (ev): -4.6485 -4.6485 -4.6481 -4.6481 -0.9238 -0.9238 -0.9214 -0.9214 4.1375 4.1375 4.1403 4.1403 5.5371 5.5371 5.5437 5.5437 6.5699 6.5699 6.5778 6.5778 7.0953 7.0953 7.1056 7.1056 8.2902 8.2902 8.3106 8.3106 9.8037 9.8037 9.8257 9.8257 10.1710 10.1710 10.2209 10.2209 10.9765 10.9765 10.9770 10.9770 12.6422 12.6422 12.6569 12.6569 12.7160 12.7160 12.7273 12.7273 k = 0.2128-0.0000 0.3122 ( 2888 PWs) bands (ev): -4.6217 -4.6217 -4.6213 -4.6213 -0.9297 -0.9297 -0.9273 -0.9273 4.1595 4.1595 4.1629 4.1629 5.4720 5.4720 5.4772 5.4772 6.5649 6.5649 6.5725 6.5725 7.0848 7.0848 7.0954 7.0954 8.2981 8.2981 8.3177 8.3177 9.7793 9.7793 9.8020 9.8020 10.1538 10.1538 10.2038 10.2038 10.9847 10.9847 10.9857 10.9857 12.5984 12.5984 12.6087 12.6087 12.7374 12.7374 12.7528 12.7528 k = 0.2234-0.0000 0.3122 ( 2888 PWs) bands (ev): -4.5941 -4.5941 -4.5936 -4.5936 -0.9361 -0.9361 -0.9336 -0.9336 4.1805 4.1805 4.1848 4.1848 5.4060 5.4060 5.4095 5.4095 6.5630 6.5630 6.5704 6.5704 7.0773 7.0773 7.0881 7.0881 8.3043 8.3043 8.3229 8.3229 9.7544 9.7544 9.7778 9.7778 10.1348 10.1348 10.1848 10.1848 10.9897 10.9897 10.9915 10.9915 12.5390 12.5390 12.5490 12.5490 12.7753 12.7753 12.7906 12.7906 k = 0.2340-0.0000 0.3122 ( 2884 PWs) bands (ev): -4.5657 -4.5657 -4.5652 -4.5652 -0.9430 -0.9430 -0.9405 -0.9405 4.2001 4.2001 4.2052 4.2052 5.3407 5.3407 5.3425 5.3425 6.5634 6.5634 6.5706 6.5706 7.0729 7.0729 7.0837 7.0837 8.3086 8.3086 8.3262 8.3262 9.7292 9.7292 9.7533 9.7533 10.1143 10.1143 10.1641 10.1641 10.9916 10.9916 10.9943 10.9943 12.4792 12.4792 12.4897 12.4897 12.8147 12.8147 12.8290 12.8290 k = 0.2447-0.0000 0.3122 ( 2884 PWs) bands (ev): -4.5367 -4.5367 -4.5362 -4.5362 -0.9504 -0.9504 -0.9479 -0.9479 4.2173 4.2173 4.2236 4.2236 5.2775 5.2775 5.2777 5.2777 6.5652 6.5652 6.5721 6.5721 7.0715 7.0715 7.0824 7.0824 8.3111 8.3111 8.3276 8.3276 9.7038 9.7038 9.7284 9.7284 10.0923 10.0923 10.1418 10.1418 10.9905 10.9905 10.9941 10.9941 12.4212 12.4212 12.4326 12.4326 12.8530 12.8530 12.8660 12.8660 k = 0.2553-0.0000 0.3122 ( 2888 PWs) bands (ev): -4.5072 -4.5072 -4.5066 -4.5066 -0.9583 -0.9583 -0.9558 -0.9558 4.2315 4.2315 4.2390 4.2390 5.2163 5.2163 5.2184 5.2184 6.5677 6.5677 6.5744 6.5744 7.0732 7.0732 7.0842 7.0842 8.3117 8.3117 8.3271 8.3271 9.6782 9.6782 9.7034 9.7034 10.0691 10.0691 10.1182 10.1182 10.9863 10.9863 10.9910 10.9910 12.3657 12.3657 12.3784 12.3784 12.8893 12.8893 12.9007 12.9007 k = 0.2660-0.0000 0.3122 ( 2884 PWs) bands (ev): -4.4772 -4.4772 -4.4766 -4.4766 -0.9667 -0.9667 -0.9642 -0.9642 4.2416 4.2416 4.2505 4.2505 5.1603 5.1603 5.1645 5.1645 6.5705 6.5705 6.5769 6.5769 7.0779 7.0779 7.0889 7.0889 8.3106 8.3106 8.3248 8.3248 9.6525 9.6525 9.6782 9.6782 10.0448 10.0448 10.0934 10.0934 10.9793 10.9793 10.9852 10.9852 12.3133 12.3133 12.3274 12.3274 12.9233 12.9233 12.9327 12.9327 k = 0.2766-0.0000 0.3122 ( 2894 PWs) bands (ev): -4.4470 -4.4470 -4.4463 -4.4463 -0.9756 -0.9756 -0.9731 -0.9731 4.2466 4.2466 4.2569 4.2569 5.1112 5.1112 5.1175 5.1175 6.5730 6.5730 6.5792 6.5792 7.0856 7.0856 7.0965 7.0965 8.3078 8.3078 8.3208 8.3208 9.6267 9.6267 9.6529 9.6529 10.0196 10.0196 10.0676 10.0676 10.9695 10.9695 10.9767 10.9767 12.2640 12.2640 12.2797 12.2797 12.9545 12.9545 12.9618 12.9618 k = 0.2872-0.0000 0.3122 ( 2894 PWs) bands (ev): -4.4165 -4.4165 -4.4158 -4.4158 -0.9850 -0.9850 -0.9825 -0.9825 4.2455 4.2455 4.2573 4.2573 5.0704 5.0704 5.0787 5.0787 6.5749 6.5749 6.5811 6.5811 7.0960 7.0960 7.1068 7.1068 8.3035 8.3035 8.3152 8.3152 9.6009 9.6009 9.6276 9.6276 9.9937 9.9937 10.0411 10.0411 10.9572 10.9572 10.9657 10.9657 12.2182 12.2182 12.2355 12.2355 12.9828 12.9828 12.9879 12.9879 k = 0.2979-0.0000 0.3122 ( 2894 PWs) bands (ev): -4.3861 -4.3861 -4.3853 -4.3853 -0.9947 -0.9947 -0.9923 -0.9923 4.2377 4.2377 4.2507 4.2507 5.0389 5.0389 5.0490 5.0490 6.5762 6.5762 6.5823 6.5823 7.1088 7.1088 7.1195 7.1195 8.2980 8.2980 8.3083 8.3083 9.5752 9.5752 9.6023 9.6023 9.9672 9.9672 10.0139 10.0139 10.9427 10.9427 10.9525 10.9525 12.1757 12.1757 12.1948 12.1948 13.0082 13.0082 13.0109 13.0109 k = 0.3085-0.0000 0.3122 ( 2898 PWs) bands (ev): -4.3557 -4.3557 -4.3549 -4.3549 -1.0049 -1.0049 -1.0025 -1.0025 4.2230 4.2230 4.2369 4.2369 5.0173 5.0173 5.0289 5.0289 6.5766 6.5766 6.5827 6.5827 7.1236 7.1236 7.1342 7.1342 8.2913 8.2913 8.3003 8.3003 9.5496 9.5496 9.5771 9.5771 9.9404 9.9404 9.9863 9.9863 10.9262 10.9262 10.9373 10.9373 12.1366 12.1366 12.1575 12.1575 13.0307 13.0307 13.0311 13.0311 k = 0.3191-0.0000 0.3122 ( 2908 PWs) bands (ev): -4.3255 -4.3255 -4.3247 -4.3247 -1.0154 -1.0154 -1.0130 -1.0130 4.2017 4.2017 4.2162 4.2162 5.0055 5.0055 5.0181 5.0181 6.5761 6.5761 6.5823 6.5823 7.1401 7.1401 7.1506 7.1506 8.2840 8.2840 8.2914 8.2914 9.5242 9.5242 9.5521 9.5521 9.9132 9.9132 9.9584 9.9584 10.9080 10.9080 10.9203 10.9203 12.1008 12.1008 12.1235 12.1235 13.0486 13.0486 13.0504 13.0504 k = 0.3298-0.0000 0.3122 ( 2912 PWs) bands (ev): -4.2958 -4.2958 -4.2949 -4.2949 -1.0261 -1.0261 -1.0238 -1.0238 4.1747 4.1747 4.1895 4.1895 5.0025 5.0025 5.0159 5.0159 6.5747 6.5747 6.5811 6.5811 7.1577 7.1577 7.1681 7.1681 8.2762 8.2762 8.2821 8.2821 9.4991 9.4991 9.5273 9.5273 9.8861 9.8861 9.9305 9.9305 10.8883 10.8883 10.9018 10.9018 12.0683 12.0683 12.0927 12.0927 13.0637 13.0637 13.0677 13.0677 k = 0.3404-0.0000 0.3122 ( 2908 PWs) bands (ev): -4.2666 -4.2666 -4.2656 -4.2656 -1.0370 -1.0370 -1.0348 -1.0348 4.1435 4.1435 4.1583 4.1583 5.0072 5.0072 5.0209 5.0209 6.5726 6.5726 6.5793 6.5793 7.1761 7.1761 7.1864 7.1864 8.2683 8.2683 8.2727 8.2727 9.4743 9.4743 9.5028 9.5028 9.8591 9.8591 9.9027 9.9027 10.8678 10.8678 10.8823 10.8823 12.0390 12.0390 12.0651 12.0651 13.0767 13.0767 13.0828 13.0828 k = 0.3511-0.0000 0.3122 ( 2904 PWs) bands (ev): -4.2381 -4.2381 -4.2371 -4.2371 -1.0480 -1.0480 -1.0458 -1.0458 4.1093 4.1093 4.1238 4.1238 5.0181 5.0181 5.0318 5.0318 6.5698 6.5698 6.5768 6.5768 7.1948 7.1948 7.2049 7.2049 8.2606 8.2606 8.2635 8.2635 9.4499 9.4499 9.4787 9.4787 9.8324 9.8324 9.8753 9.8753 10.8465 10.8465 10.8620 10.8620 12.0126 12.0126 12.0403 12.0403 13.0878 13.0878 13.0960 13.0960 k = 0.3617-0.0000 0.3122 ( 2896 PWs) bands (ev): -4.2106 -4.2106 -4.2095 -4.2095 -1.0589 -1.0589 -1.0569 -1.0569 4.0734 4.0734 4.0876 4.0876 5.0336 5.0336 5.0472 5.0472 6.5663 6.5663 6.5738 6.5738 7.2132 7.2132 7.2233 7.2233 8.2535 8.2535 8.2548 8.2548 9.4261 9.4261 9.4551 9.4551 9.8064 9.8064 9.8485 9.8485 10.8249 10.8249 10.8413 10.8413 11.9890 11.9890 12.0183 12.0183 13.0975 13.0975 13.1074 13.1074 k = 0.3723-0.0000 0.3122 ( 2892 PWs) bands (ev): -4.1841 -4.1841 -4.1829 -4.1829 -1.0698 -1.0698 -1.0679 -1.0679 4.0372 4.0372 4.0508 4.0508 5.0525 5.0525 5.0659 5.0659 6.5622 6.5622 6.5702 6.5702 7.2311 7.2311 7.2411 7.2411 8.2470 8.2470 8.2472 8.2472 9.4028 9.4028 9.4320 9.4320 9.7810 9.7810 9.8223 9.8223 10.8034 10.8034 10.8205 10.8205 11.9681 11.9681 11.9988 11.9988 13.1058 13.1058 13.1173 13.1173 k = 0.3830-0.0000 0.3122 ( 2888 PWs) bands (ev): -4.1589 -4.1589 -4.1577 -4.1577 -1.0804 -1.0804 -1.0786 -1.0786 4.0014 4.0014 4.0146 4.0146 5.0737 5.0737 5.0867 5.0867 6.5576 6.5576 6.5663 6.5663 7.2480 7.2480 7.2580 7.2580 8.2403 8.2403 8.2420 8.2420 9.3802 9.3802 9.4096 9.4096 9.7565 9.7565 9.7971 9.7971 10.7822 10.7822 10.7999 10.7999 11.9496 11.9496 11.9816 11.9816 13.1130 13.1130 13.1260 13.1260 k = 0.3936-0.0000 0.3122 ( 2888 PWs) bands (ev): -4.1351 -4.1351 -4.1338 -4.1338 -1.0907 -1.0907 -1.0890 -1.0890 3.9669 3.9669 3.9796 3.9796 5.0961 5.0961 5.1088 5.1088 6.5527 6.5527 6.5620 6.5620 7.2636 7.2636 7.2736 7.2736 8.2349 8.2349 8.2382 8.2382 9.3585 9.3585 9.3880 9.3880 9.7332 9.7332 9.7731 9.7731 10.7617 10.7617 10.7799 10.7799 11.9334 11.9334 11.9665 11.9665 13.1192 13.1192 13.1335 13.1335 k = 0.4043-0.0000 0.3122 ( 2884 PWs) bands (ev): -4.1129 -4.1129 -4.1116 -4.1116 -1.1006 -1.1006 -1.0989 -1.0989 3.9344 3.9344 3.9466 3.9466 5.1190 5.1190 5.1312 5.1312 6.5475 6.5475 6.5575 6.5575 7.2776 7.2776 7.2878 7.2878 8.2311 8.2311 8.2356 8.2356 9.3378 9.3378 9.3674 9.3674 9.7112 9.7112 9.7505 9.7505 10.7422 10.7422 10.7609 10.7609 11.9193 11.9193 11.9534 11.9534 13.1246 13.1246 13.1401 13.1401 k = 0.4149-0.0000 0.3122 ( 2886 PWs) bands (ev): -4.0925 -4.0925 -4.0911 -4.0911 -1.1098 -1.1098 -1.1082 -1.1082 3.9043 3.9043 3.9161 3.9161 5.1415 5.1415 5.1534 5.1534 6.5422 6.5422 6.5529 6.5529 7.2900 7.2900 7.3003 7.3003 8.2286 8.2286 8.2345 8.2345 9.3183 9.3183 9.3480 9.3480 9.6908 9.6908 9.7294 9.7294 10.7239 10.7239 10.7429 10.7429 11.9071 11.9071 11.9421 11.9421 13.1292 13.1292 13.1457 13.1457 k = 0.4255-0.0000 0.3122 ( 2884 PWs) bands (ev): -4.0740 -4.0740 -4.0726 -4.0726 -1.1183 -1.1183 -1.1168 -1.1168 3.8770 3.8770 3.8884 3.8884 5.1629 5.1629 5.1745 5.1745 6.5369 6.5369 6.5484 6.5484 7.3007 7.3007 7.3111 7.3111 8.2275 8.2275 8.2346 8.2346 9.3002 9.3002 9.3300 9.3300 9.6722 9.6722 9.7103 9.7103 10.7072 10.7072 10.7264 10.7264 11.8967 11.8967 11.9326 11.9326 13.1332 13.1332 13.1506 13.1506 k = 0.4362-0.0000 0.3122 ( 2884 PWs) bands (ev): -4.0577 -4.0577 -4.0562 -4.0562 -1.1260 -1.1260 -1.1246 -1.1246 3.8529 3.8529 3.8639 3.8639 5.1828 5.1828 5.1940 5.1940 6.5319 6.5319 6.5440 6.5440 7.3096 7.3096 7.3202 7.3202 8.2276 8.2276 8.2357 8.2357 9.2837 9.2837 9.3135 9.3135 9.6557 9.6557 9.6931 9.6931 10.6922 10.6922 10.7117 10.7117 11.8880 11.8880 11.9245 11.9245 13.1365 13.1365 13.1547 13.1547 k = 0.4468-0.0000 0.3122 ( 2894 PWs) bands (ev): -4.0436 -4.0436 -4.0420 -4.0420 -1.1327 -1.1327 -1.1313 -1.1313 3.8321 3.8321 3.8428 3.8428 5.2007 5.2007 5.2115 5.2115 6.5271 6.5271 6.5399 6.5399 7.3168 7.3168 7.3276 7.3276 8.2285 8.2285 8.2375 8.2375 9.2692 9.2692 9.2990 9.2990 9.6412 9.6412 9.6782 9.6782 10.6791 10.6791 10.6987 10.6987 11.8808 11.8808 11.9179 11.9179 13.1393 13.1393 13.1582 13.1582 k = 0.4574-0.0000 0.3122 ( 2894 PWs) bands (ev): -4.0318 -4.0318 -4.0303 -4.0303 -1.1383 -1.1383 -1.1370 -1.1370 3.8148 3.8148 3.8254 3.8254 5.2159 5.2159 5.2265 5.2265 6.5229 6.5229 6.5363 6.5363 7.3225 7.3225 7.3335 7.3335 8.2299 8.2299 8.2397 8.2397 9.2568 9.2568 9.2866 9.2866 9.6292 9.6292 9.6658 9.6658 10.6683 10.6683 10.6879 10.6879 11.8751 11.8751 11.9126 11.9126 13.1416 13.1416 13.1609 13.1609 k = 0.4681-0.0000 0.3122 ( 2904 PWs) bands (ev): -4.0226 -4.0226 -4.0210 -4.0210 -1.1428 -1.1428 -1.1416 -1.1416 3.8013 3.8013 3.8117 3.8117 5.2282 5.2282 5.2386 5.2386 6.5194 6.5194 6.5332 6.5332 7.3267 7.3267 7.3379 7.3379 8.2315 8.2315 8.2419 8.2419 9.2467 9.2467 9.2766 9.2766 9.6197 9.6197 9.6560 9.6560 10.6596 10.6596 10.6793 10.6793 11.8707 11.8707 11.9086 11.9086 13.1433 13.1433 13.1630 13.1630 k = 0.4787-0.0000 0.3122 ( 2908 PWs) bands (ev): -4.0159 -4.0159 -4.0143 -4.0143 -1.1461 -1.1461 -1.1449 -1.1449 3.7916 3.7916 3.8018 3.8018 5.2372 5.2372 5.2474 5.2474 6.5169 6.5169 6.5310 6.5310 7.3296 7.3296 7.3409 7.3409 8.2329 8.2329 8.2437 8.2437 9.2394 9.2394 9.2693 9.2693 9.6128 9.6128 9.6488 9.6488 10.6534 10.6534 10.6731 10.6731 11.8677 11.8677 11.9057 11.9057 13.1445 13.1445 13.1646 13.1646 k = 0.4894-0.0000 0.3122 ( 2912 PWs) bands (ev): -4.0119 -4.0119 -4.0103 -4.0103 -1.1481 -1.1481 -1.1469 -1.1469 3.7857 3.7857 3.7958 3.7958 5.2427 5.2427 5.2528 5.2528 6.5152 6.5152 6.5296 6.5296 7.3313 7.3313 7.3427 7.3427 8.2339 8.2339 8.2450 8.2450 9.2350 9.2350 9.2648 9.2648 9.6087 9.6087 9.6445 9.6445 10.6495 10.6495 10.6693 10.6693 11.8658 11.8658 11.9040 11.9040 13.1452 13.1452 13.1655 13.1655 k = 0.5000-0.0000 0.3122 ( 2916 PWs) bands (ev): -4.0106 -4.0106 -4.0089 -4.0089 -1.1487 -1.1487 -1.1475 -1.1475 3.7837 3.7837 3.7938 3.7938 5.2446 5.2446 5.2547 5.2547 6.5147 6.5147 6.5291 6.5291 7.3319 7.3319 7.3433 7.3433 8.2342 8.2342 8.2454 8.2454 9.2334 9.2334 9.2633 9.2633 9.6073 9.6073 9.6431 9.6431 10.6482 10.6482 10.6680 10.6680 11.8652 11.8652 11.9035 11.9035 13.1455 13.1455 13.1658 13.1658 k = 0.5000-0.0000 0.3122 ( 2916 PWs) bands (ev): -4.0106 -4.0106 -4.0089 -4.0089 -1.1487 -1.1487 -1.1475 -1.1475 3.7837 3.7837 3.7938 3.7938 5.2446 5.2446 5.2547 5.2547 6.5147 6.5147 6.5291 6.5291 7.3319 7.3319 7.3433 7.3433 8.2342 8.2342 8.2454 8.2454 9.2334 9.2334 9.2633 9.2633 9.6073 9.6073 9.6431 9.6431 10.6482 10.6482 10.6680 10.6680 11.8652 11.8652 11.9035 11.9035 13.1455 13.1455 13.1658 13.1658 k = 0.5000 0.0106 0.3122 ( 2916 PWs) bands (ev): -4.0100 -4.0100 -4.0084 -4.0084 -1.1493 -1.1493 -1.1481 -1.1481 3.7804 3.7804 3.7904 3.7904 5.2500 5.2500 5.2599 5.2599 6.5092 6.5092 6.5235 6.5235 7.3335 7.3335 7.3446 7.3446 8.2334 8.2334 8.2446 8.2446 9.2371 9.2371 9.2669 9.2669 9.6080 9.6080 9.6439 9.6439 10.6483 10.6483 10.6680 10.6680 11.8663 11.8663 11.9045 11.9045 13.1467 13.1467 13.1670 13.1670 k = 0.5000 0.0212 0.3122 ( 2916 PWs) bands (ev): -4.0084 -4.0084 -4.0068 -4.0068 -1.1511 -1.1511 -1.1499 -1.1499 3.7707 3.7707 3.7803 3.7803 5.2659 5.2659 5.2754 5.2754 6.4930 6.4930 6.5068 6.5068 7.3383 7.3383 7.3485 7.3485 8.2310 8.2310 8.2421 8.2421 9.2481 9.2481 9.2777 9.2777 9.6103 9.6103 9.6463 9.6463 10.6484 10.6484 10.6680 10.6680 11.8697 11.8697 11.9078 11.9078 13.1506 13.1506 13.1707 13.1707 k = 0.5000 0.0318 0.3122 ( 2912 PWs) bands (ev): -4.0057 -4.0057 -4.0041 -4.0041 -1.1540 -1.1540 -1.1529 -1.1529 3.7551 3.7551 3.7642 3.7642 5.2918 5.2918 5.3004 5.3004 6.4668 6.4668 6.4798 6.4798 7.3458 7.3458 7.3546 7.3546 8.2274 8.2274 8.2383 8.2383 9.2657 9.2657 9.2951 9.2951 9.6141 9.6141 9.6503 9.6503 10.6486 10.6486 10.6681 10.6681 11.8753 11.8753 11.9132 11.9132 13.1569 13.1569 13.1768 13.1768 k = 0.5000 0.0424 0.3122 ( 2912 PWs) bands (ev): -4.0019 -4.0019 -4.0003 -4.0003 -1.1581 -1.1581 -1.1570 -1.1570 3.7345 3.7345 3.7429 3.7429 5.3265 5.3265 5.3341 5.3341 6.4313 6.4313 6.4435 6.4435 7.3552 7.3552 7.3624 7.3624 8.2228 8.2228 8.2336 8.2336 9.2892 9.2892 9.3184 9.3184 9.6194 9.6194 9.6559 9.6559 10.6490 10.6490 10.6683 10.6683 11.8832 11.8832 11.9208 11.9208 13.1655 13.1655 13.1852 13.1852 k = 0.5000 0.0529 0.3122 ( 2904 PWs) bands (ev): -3.9971 -3.9971 -3.9955 -3.9955 -1.1633 -1.1633 -1.1623 -1.1623 3.7098 3.7098 3.7174 3.7174 5.3688 5.3688 5.3751 5.3751 6.3880 6.3880 6.3994 6.3994 7.3660 7.3660 7.3713 7.3713 8.2177 8.2177 8.2284 8.2284 9.3177 9.3177 9.3467 9.3467 9.6265 9.6265 9.6633 9.6633 10.6494 10.6494 10.6684 10.6684 11.8934 11.8934 11.9307 11.9307 13.1762 13.1762 13.1955 13.1955 k = 0.5000 0.0635 0.3122 ( 2900 PWs) bands (ev): -3.9912 -3.9912 -3.9896 -3.9896 -1.1698 -1.1698 -1.1687 -1.1687 3.6821 3.6821 3.6889 3.6889 5.4173 5.4173 5.4219 5.4219 6.3380 6.3380 6.3488 6.3488 7.3774 7.3774 7.3806 7.3806 8.2126 8.2126 8.2233 8.2233 9.3500 9.3500 9.3788 9.3788 9.6351 9.6351 9.6724 9.6724 10.6499 10.6499 10.6686 10.6686 11.9059 11.9059 11.9427 11.9427 13.1888 13.1888 13.2076 13.2076 k = 0.5000 0.0741 0.3122 ( 2892 PWs) bands (ev): -3.9844 -3.9844 -3.9828 -3.9828 -1.1773 -1.1773 -1.1764 -1.1764 3.6524 3.6524 3.6583 3.6583 5.4701 5.4701 5.4729 5.4729 6.2831 6.2831 6.2935 6.2935 7.3889 7.3889 7.3901 7.3901 8.2079 8.2079 8.2185 8.2185 9.3850 9.3850 9.4136 9.4136 9.6457 9.6457 9.6834 9.6834 10.6505 10.6505 10.6688 10.6688 11.9207 11.9207 11.9569 11.9569 13.2029 13.2029 13.2210 13.2210 k = 0.5000 0.0847 0.3122 ( 2892 PWs) bands (ev): -3.9766 -3.9766 -3.9750 -3.9750 -1.1860 -1.1860 -1.1851 -1.1851 3.6217 3.6217 3.6267 3.6267 5.5253 5.5253 5.5257 5.5257 6.2251 6.2251 6.2357 6.2357 7.3992 7.3992 7.4001 7.4001 8.2039 8.2039 8.2145 8.2145 9.4214 9.4214 9.4498 9.4498 9.6582 9.6582 9.6965 9.6965 10.6513 10.6513 10.6691 10.6691 11.9377 11.9377 11.9733 11.9733 13.2179 13.2179 13.2352 13.2352 k = 0.5000 0.0953 0.3122 ( 2892 PWs) bands (ev): -3.9678 -3.9678 -3.9662 -3.9662 -1.1959 -1.1959 -1.1951 -1.1951 3.5908 3.5908 3.5949 3.5949 5.5774 5.5774 5.5799 5.5799 6.1670 6.1670 6.1785 6.1785 7.4078 7.4078 7.4106 7.4106 8.2009 8.2009 8.2115 8.2115 9.4581 9.4581 9.4861 9.4861 9.6733 9.6733 9.7119 9.7119 10.6520 10.6520 10.6693 10.6693 11.9570 11.9570 11.9920 11.9920 13.2333 13.2333 13.2496 13.2496 k = 0.5000 0.1059 0.3122 ( 2892 PWs) bands (ev): -3.9581 -3.9581 -3.9566 -3.9566 -1.2068 -1.2068 -1.2061 -1.2061 3.5604 3.5604 3.5637 3.5637 5.6229 5.6229 5.6290 5.6290 6.1136 6.1136 6.1266 6.1266 7.4156 7.4156 7.4203 7.4203 8.1990 8.1990 8.2096 8.2096 9.4938 9.4938 9.5212 9.5212 9.6914 9.6914 9.7299 9.7299 10.6529 10.6529 10.6696 10.6696 11.9787 11.9787 12.0129 12.0129 13.2484 13.2484 13.2634 13.2634 k = 0.5000 0.1165 0.3122 ( 2888 PWs) bands (ev): -3.9476 -3.9476 -3.9461 -3.9461 -1.2188 -1.2188 -1.2182 -1.2182 3.5311 3.5311 3.5336 3.5336 5.6541 5.6541 5.6642 5.6642 6.0731 6.0731 6.0884 6.0884 7.4225 7.4225 7.4289 7.4289 8.1983 8.1983 8.2090 8.2090 9.5276 9.5276 9.5536 9.5536 9.7131 9.7131 9.7508 9.7508 10.6538 10.6538 10.6700 10.6700 12.0027 12.0027 12.0361 12.0361 13.2622 13.2622 13.2757 13.2757 k = 0.5000 0.1271 0.3122 ( 2896 PWs) bands (ev): -3.9363 -3.9363 -3.9348 -3.9348 -1.2318 -1.2318 -1.2313 -1.2313 3.5037 3.5037 3.5054 3.5054 5.6602 5.6602 5.6734 5.6734 6.0578 6.0578 6.0744 6.0744 7.4285 7.4285 7.4365 7.4365 8.1990 8.1990 8.2097 8.2097 9.5585 9.5585 9.5823 9.5823 9.7387 9.7387 9.7747 9.7747 10.6548 10.6548 10.6703 10.6703 12.0290 12.0290 12.0616 12.0616 13.2736 13.2736 13.2853 13.2853 k = 0.5000 0.1376 0.3122 ( 2900 PWs) bands (ev): -3.9243 -3.9243 -3.9227 -3.9227 -1.2459 -1.2459 -1.2454 -1.2454 3.4783 3.4783 3.4793 3.4793 5.6355 5.6355 5.6495 5.6495 6.0745 6.0745 6.0904 6.0904 7.4336 7.4336 7.4431 7.4431 8.2009 8.2009 8.2116 8.2116 9.5859 9.5859 9.6069 9.6069 9.7682 9.7682 9.8018 9.8018 10.6559 10.6559 10.6707 10.6707 12.0575 12.0575 12.0892 12.0892 13.2817 13.2817 13.2912 13.2912 k = 0.5000 0.1482 0.3122 ( 2908 PWs) bands (ev): -3.9115 -3.9115 -3.9100 -3.9100 -1.2608 -1.2608 -1.2605 -1.2605 3.4556 3.4556 3.4559 3.4559 5.5854 5.5854 5.5987 5.5987 6.1173 6.1173 6.1308 6.1308 7.4377 7.4377 7.4485 7.4485 8.2041 8.2041 8.2147 8.2147 9.6096 9.6096 9.6274 9.6274 9.8009 9.8009 9.8317 9.8317 10.6570 10.6570 10.6711 10.6711 12.0884 12.0884 12.1191 12.1191 13.2851 13.2851 13.2924 13.2924 k = 0.5000 0.1588 0.3122 ( 2912 PWs) bands (ev): -3.8982 -3.8982 -3.8967 -3.8967 -1.2766 -1.2766 -1.2764 -1.2764 3.4353 3.4353 3.4357 3.4357 5.5194 5.5194 5.5317 5.5317 6.1753 6.1753 6.1863 6.1863 7.4409 7.4409 7.4529 7.4529 8.2083 8.2083 8.2189 8.2189 9.6298 9.6298 9.6444 9.6444 9.8358 9.8358 9.8640 9.8640 10.6583 10.6583 10.6716 10.6716 12.1215 12.1215 12.1512 12.1512 13.2831 13.2831 13.2879 13.2879 k = 0.5000 0.1694 0.3122 ( 2916 PWs) bands (ev): -3.8843 -3.8843 -3.8829 -3.8829 -1.2932 -1.2932 -1.2931 -1.2931 3.4180 3.4180 3.4190 3.4190 5.4442 5.4442 5.4556 5.4556 6.2414 6.2414 6.2501 6.2501 7.4432 7.4432 7.4564 7.4564 8.2136 8.2136 8.2241 8.2241 9.6466 9.6466 9.6586 9.6586 9.8721 9.8721 9.8979 9.8979 10.6596 10.6596 10.6722 10.6722 12.1568 12.1568 12.1855 12.1855 13.2750 13.2750 13.2774 13.2774 k = 0.5000 0.1800 0.3122 ( 2924 PWs) bands (ev): -3.8700 -3.8700 -3.8686 -3.8686 -1.3105 -1.3105 -1.3104 -1.3104 3.4040 3.4040 3.4056 3.4056 5.3636 5.3636 5.3744 5.3744 6.3114 6.3114 6.3181 6.3181 7.4447 7.4447 7.4589 7.4589 8.2198 8.2198 8.2301 8.2301 9.6605 9.6605 9.6702 9.6702 9.9091 9.9091 9.9330 9.9330 10.6610 10.6610 10.6728 10.6728 12.1942 12.1942 12.2218 12.2218 13.2606 13.2606 13.2608 13.2608 k = 0.5000 0.1906 0.3122 ( 2928 PWs) bands (ev): -3.8554 -3.8554 -3.8540 -3.8540 -1.3283 -1.3283 -1.3283 -1.3283 3.3937 3.3937 3.3958 3.3958 5.2800 5.2800 5.2903 5.2903 6.3832 6.3832 6.3881 6.3881 7.4455 7.4455 7.4605 7.4605 8.2268 8.2268 8.2368 8.2368 9.6717 9.6717 9.6797 9.6797 9.9462 9.9462 9.9687 9.9687 10.6624 10.6624 10.6734 10.6734 12.2337 12.2337 12.2602 12.2602 13.2385 13.2385 13.2402 13.2402 k = 0.5000 0.2012 0.3122 ( 2920 PWs) bands (ev): -3.8404 -3.8404 -3.8391 -3.8391 -1.3467 -1.3467 -1.3466 -1.3466 3.3870 3.3870 3.3897 3.3897 5.1947 5.1947 5.2046 5.2046 6.4556 6.4556 6.4588 6.4588 7.4456 7.4456 7.4614 7.4614 8.2344 8.2344 8.2441 8.2441 9.6806 9.6806 9.6873 9.6873 9.9832 9.9832 10.0047 10.0047 10.6640 10.6640 10.6741 10.6741 12.2752 12.2752 12.3006 12.3006 13.2113 13.2113 13.2147 13.2147 k = 0.5000 0.2118 0.3122 ( 2916 PWs) bands (ev): -3.8254 -3.8254 -3.8240 -3.8240 -1.3653 -1.3653 -1.3652 -1.3652 3.3841 3.3841 3.3873 3.3873 5.1085 5.1085 5.1182 5.1182 6.5275 6.5275 6.5291 6.5291 7.4450 7.4450 7.4615 7.4615 8.2424 8.2424 8.2518 8.2518 9.6873 9.6873 9.6929 9.6929 10.0199 10.0199 10.0406 10.0406 10.6655 10.6655 10.6748 10.6748 12.3185 12.3185 12.3428 12.3428 13.1801 13.1801 13.1848 13.1848 k = 0.5000 0.2223 0.3122 ( 2924 PWs) bands (ev): -3.8103 -3.8103 -3.8090 -3.8090 -1.3841 -1.3841 -1.3839 -1.3839 3.3850 3.3850 3.3887 3.3887 5.0220 5.0220 5.0316 5.0316 6.5982 6.5982 6.5984 6.5984 7.4437 7.4437 7.4609 7.4609 8.2507 8.2507 8.2597 8.2597 9.6917 9.6917 9.6966 9.6966 10.0561 10.0561 10.0761 10.0761 10.6671 10.6671 10.6756 10.6756 12.3633 12.3633 12.3865 12.3865 13.1460 13.1460 13.1517 13.1517 k = 0.5000 0.2329 0.3122 ( 2916 PWs) bands (ev): -3.7952 -3.7952 -3.7940 -3.7940 -1.4029 -1.4029 -1.4027 -1.4027 3.3899 3.3899 3.3940 3.3940 4.9359 4.9359 4.9453 4.9453 6.6661 6.6661 6.6674 6.6674 7.4418 7.4418 7.4596 7.4596 8.2592 8.2592 8.2678 8.2678 9.6944 9.6944 9.6987 9.6987 10.0917 10.0917 10.1112 10.1112 10.6687 10.6687 10.6763 10.6763 12.4096 12.4096 12.4317 12.4317 13.1099 13.1099 13.1163 13.1163 k = 0.5000 0.2435 0.3122 ( 2916 PWs) bands (ev): -3.7804 -3.7804 -3.7792 -3.7792 -1.4216 -1.4216 -1.4213 -1.4213 3.3987 3.3987 3.4032 3.4032 4.8504 4.8504 4.8596 4.8596 6.7318 6.7318 6.7345 6.7345 7.4394 7.4394 7.4576 7.4576 8.2677 8.2677 8.2758 8.2758 9.6953 9.6953 9.6990 9.6990 10.1266 10.1266 10.1455 10.1455 10.6703 10.6703 10.6770 10.6770 12.4571 12.4571 12.4781 12.4781 13.0729 13.0729 13.0799 13.0799 k = 0.5000 0.2541 0.3122 ( 2916 PWs) bands (ev): -3.7659 -3.7659 -3.7648 -3.7648 -1.4399 -1.4399 -1.4395 -1.4395 3.4113 3.4113 3.4162 3.4162 4.7658 4.7658 4.7750 4.7750 6.7951 6.7951 6.7992 6.7992 7.4363 7.4363 7.4550 7.4550 8.2761 8.2761 8.2837 8.2837 9.6946 9.6946 9.6979 9.6979 10.1606 10.1606 10.1790 10.1790 10.6718 10.6718 10.6777 10.6777 12.5053 12.5053 12.5252 12.5252 13.0361 13.0361 13.0433 13.0433 k = 0.5000 0.2647 0.3122 ( 2912 PWs) bands (ev): -3.7518 -3.7518 -3.7508 -3.7508 -1.4576 -1.4576 -1.4572 -1.4572 3.4278 3.4278 3.4330 3.4330 4.6826 4.6826 4.6916 4.6916 6.8557 6.8557 6.8612 6.8612 7.4326 7.4326 7.4517 7.4517 8.2844 8.2844 8.2914 8.2914 9.6926 9.6926 9.6955 9.6955 10.1936 10.1936 10.2113 10.2113 10.6733 10.6733 10.6784 10.6784 12.5537 12.5537 12.5724 12.5724 13.0004 13.0004 13.0077 13.0077 k = 0.5000 0.2753 0.3122 ( 2904 PWs) bands (ev): -3.7384 -3.7384 -3.7374 -3.7374 -1.4746 -1.4746 -1.4743 -1.4743 3.4481 3.4481 3.4537 3.4537 4.6009 4.6009 4.6098 4.6098 6.9133 6.9133 6.9201 6.9201 7.4282 7.4282 7.4477 7.4477 8.2922 8.2922 8.2987 8.2987 9.6895 9.6895 9.6921 9.6921 10.2252 10.2252 10.2423 10.2423 10.6747 10.6747 10.6790 10.6790 12.6013 12.6013 12.6189 12.6189 12.9674 12.9674 12.9746 12.9746 k = 0.5000 0.2859 0.3122 ( 2900 PWs) bands (ev): -3.7257 -3.7257 -3.7248 -3.7248 -1.4908 -1.4908 -1.4904 -1.4904 3.4721 3.4721 3.4779 3.4779 4.5210 4.5210 4.5298 4.5298 6.9675 6.9675 6.9757 6.9757 7.4232 7.4232 7.4430 7.4430 8.2997 8.2997 8.3056 8.3056 9.6855 9.6855 9.6878 9.6878 10.2554 10.2554 10.2715 10.2715 10.6761 10.6761 10.6796 10.6796 12.6466 12.6466 12.6629 12.6629 12.9388 12.9388 12.9459 12.9459 k = 0.5000 0.2965 0.3122 ( 2900 PWs) bands (ev): -3.7139 -3.7139 -3.7131 -3.7131 -1.5058 -1.5058 -1.5054 -1.5054 3.4996 3.4996 3.5057 3.5057 4.4431 4.4431 4.4518 4.4518 7.0183 7.0183 7.0278 7.0278 7.4174 7.4174 7.4374 7.4374 8.3067 8.3067 8.3119 8.3119 9.6809 9.6809 9.6829 9.6829 10.2837 10.2837 10.2988 10.2988 10.6773 10.6773 10.6801 10.6801 12.6865 12.6865 12.7013 12.7013 12.9178 12.9178 12.9249 12.9249 k = 0.5000 0.3070 0.3122 ( 2912 PWs) bands (ev): -3.7031 -3.7031 -3.7023 -3.7023 -1.5196 -1.5196 -1.5192 -1.5192 3.5305 3.5305 3.5368 3.5368 4.3676 4.3676 4.3762 4.3762 7.0653 7.0653 7.0761 7.0761 7.4108 7.4108 7.4308 7.4308 8.3130 8.3130 8.3176 8.3176 9.6759 9.6759 9.6777 9.6777 10.3098 10.3098 10.3237 10.3237 10.6784 10.6784 10.6806 10.6806 12.7160 12.7160 12.7287 12.7287 12.9095 12.9095 12.9169 12.9169 k = 0.5000 0.3176 0.3122 ( 2912 PWs) bands (ev): -3.6934 -3.6934 -3.6928 -3.6928 -1.5319 -1.5319 -1.5316 -1.5316 3.5646 3.5646 3.5710 3.5710 4.2949 4.2949 4.3032 4.3032 7.1085 7.1085 7.1204 7.1204 7.4033 7.4033 7.4232 7.4232 8.3187 8.3187 8.3227 8.3227 9.6709 9.6709 9.6724 9.6724 10.3335 10.3335 10.3460 10.3460 10.6794 10.6794 10.6810 10.6810 12.7301 12.7301 12.7403 12.7403 12.9188 12.9188 12.9268 12.9268 k = 0.5000 0.3282 0.3122 ( 2916 PWs) bands (ev): -3.6850 -3.6850 -3.6844 -3.6844 -1.5426 -1.5426 -1.5423 -1.5423 3.6013 3.6013 3.6078 3.6078 4.2253 4.2253 4.2334 4.2334 7.1477 7.1477 7.1605 7.1605 7.3950 7.3950 7.4145 7.4145 8.3237 8.3237 8.3270 8.3270 9.6662 9.6662 9.6675 9.6675 10.3545 10.3545 10.3653 10.3653 10.6802 10.6802 10.6814 10.6814 12.7301 12.7301 12.7379 12.7379 12.9440 12.9440 12.9522 12.9522 k = 0.5000 0.3388 0.3122 ( 2920 PWs) bands (ev): -3.6779 -3.6779 -3.6775 -3.6775 -1.5516 -1.5516 -1.5513 -1.5513 3.6401 3.6401 3.6465 3.6465 4.1598 4.1598 4.1675 4.1675 7.1827 7.1827 7.1960 7.1960 7.3859 7.3859 7.4047 7.4047 8.3279 8.3279 8.3305 8.3305 9.6620 9.6620 9.6630 9.6630 10.3724 10.3724 10.3814 10.3814 10.6809 10.6809 10.6818 10.6818 12.7228 12.7228 12.7288 12.7288 12.9772 12.9772 12.9848 12.9848 k = 0.5000 0.3494 0.3122 ( 2924 PWs) bands (ev): -3.6723 -3.6723 -3.6720 -3.6720 -1.5587 -1.5587 -1.5585 -1.5585 3.6797 3.6797 3.6859 3.6859 4.0996 4.0996 4.1067 4.1067 7.2132 7.2132 7.2263 7.2263 7.3765 7.3765 7.3938 7.3938 8.3312 8.3312 8.3333 8.3333 9.6584 9.6584 9.6592 9.6592 10.3869 10.3869 10.3938 10.3938 10.6814 10.6814 10.6821 10.6821 12.7139 12.7139 12.7182 12.7182 13.0114 13.0114 13.0179 13.0179 k = 0.5000 0.3600 0.3122 ( 2920 PWs) bands (ev): -3.6682 -3.6682 -3.6680 -3.6680 -1.5638 -1.5638 -1.5637 -1.5637 3.7177 3.7177 3.7231 3.7231 4.0475 4.0475 4.0535 4.0535 7.2386 7.2386 7.2502 7.2502 7.3679 7.3679 7.3823 7.3823 8.3338 8.3338 8.3351 8.3351 9.6558 9.6558 9.6564 9.6564 10.3978 10.3978 10.4026 10.4026 10.6818 10.6818 10.6823 10.6823 12.7064 12.7064 12.7092 12.7092 13.0412 13.0412 13.0461 13.0461 k = 0.5000 0.3706 0.3122 ( 2920 PWs) bands (ev): -3.6657 -3.6657 -3.6656 -3.6656 -1.5669 -1.5669 -1.5668 -1.5668 3.7487 3.7487 3.7521 3.7521 4.0096 4.0096 4.0133 4.0133 7.2577 7.2577 7.2651 7.2651 7.3626 7.3626 7.3714 7.3714 8.3354 8.3354 8.3361 8.3361 9.6542 9.6542 9.6546 9.6546 10.4049 10.4049 10.4074 10.4074 10.6820 10.6820 10.6825 10.6825 12.7017 12.7017 12.7031 12.7031 13.0623 13.0623 13.0649 13.0649 k = 0.5000 0.3812 0.3122 ( 2920 PWs) bands (ev): -3.6649 -3.6649 -3.6648 -3.6648 -1.5679 -1.5679 -1.5679 -1.5679 3.7627 3.7627 3.7627 3.7627 3.9961 3.9961 3.9962 3.9962 7.2675 7.2675 7.2677 7.2677 7.3637 7.3637 7.3638 7.3638 8.3362 8.3362 8.3363 8.3363 9.6537 9.6537 9.6540 9.6540 10.4080 10.4080 10.4084 10.4084 10.6821 10.6821 10.6826 10.6826 12.7005 12.7005 12.7006 12.7006 13.0706 13.0706 13.0709 13.0709 k = 0.5000 0.3812 0.3122 ( 2920 PWs) bands (ev): -3.6649 -3.6649 -3.6648 -3.6648 -1.5679 -1.5679 -1.5679 -1.5679 3.7627 3.7627 3.7627 3.7627 3.9961 3.9961 3.9962 3.9962 7.2675 7.2675 7.2677 7.2677 7.3637 7.3637 7.3638 7.3638 8.3362 8.3362 8.3363 8.3363 9.6537 9.6537 9.6540 9.6540 10.4080 10.4080 10.4084 10.4084 10.6821 10.6821 10.6826 10.6826 12.7005 12.7005 12.7006 12.7006 13.0706 13.0706 13.0709 13.0709 k = 0.4894 0.3812 0.3122 ( 2920 PWs) bands (ev): -3.6654 -3.6654 -3.6654 -3.6654 -1.5694 -1.5694 -1.5693 -1.5693 3.7644 3.7644 3.7644 3.7644 3.9980 3.9980 3.9981 3.9981 7.2676 7.2676 7.2678 7.2678 7.3639 7.3639 7.3640 7.3640 8.3365 8.3365 8.3366 8.3366 9.6536 9.6536 9.6540 9.6540 10.4080 10.4080 10.4084 10.4084 10.6814 10.6814 10.6819 10.6819 12.7008 12.7008 12.7009 12.7009 13.0721 13.0721 13.0724 13.0724 k = 0.4787 0.3812 0.3122 ( 2924 PWs) bands (ev): -3.6671 -3.6671 -3.6671 -3.6671 -1.5736 -1.5736 -1.5736 -1.5736 3.7695 3.7695 3.7695 3.7695 4.0038 4.0038 4.0038 4.0038 7.2679 7.2679 7.2681 7.2681 7.3646 7.3646 7.3647 7.3647 8.3375 8.3375 8.3375 8.3375 9.6534 9.6534 9.6537 9.6537 10.4081 10.4081 10.4085 10.4085 10.6795 10.6795 10.6800 10.6800 12.7016 12.7016 12.7017 12.7017 13.0767 13.0767 13.0770 13.0770 k = 0.4681 0.3812 0.3122 ( 2920 PWs) bands (ev): -3.6700 -3.6700 -3.6700 -3.6700 -1.5806 -1.5806 -1.5806 -1.5806 3.7780 3.7780 3.7780 3.7780 4.0133 4.0133 4.0133 4.0133 7.2684 7.2684 7.2686 7.2686 7.3657 7.3657 7.3658 7.3658 8.3392 8.3392 8.3392 8.3392 9.6530 9.6530 9.6534 9.6534 10.4082 10.4082 10.4086 10.4086 10.6764 10.6764 10.6769 10.6769 12.7031 12.7031 12.7031 12.7031 13.0845 13.0845 13.0848 13.0848 k = 0.4574 0.3812 0.3122 ( 2920 PWs) bands (ev): -3.6739 -3.6739 -3.6739 -3.6739 -1.5903 -1.5903 -1.5903 -1.5903 3.7898 3.7898 3.7898 3.7898 4.0264 4.0264 4.0264 4.0264 7.2694 7.2694 7.2696 7.2696 7.3671 7.3671 7.3672 7.3672 8.3416 8.3416 8.3417 8.3417 9.6524 9.6524 9.6528 9.6528 10.4084 10.4084 10.4088 10.4088 10.6721 10.6721 10.6726 10.6726 12.7049 12.7049 12.7050 12.7050 13.0953 13.0953 13.0955 13.0955 k = 0.4468 0.3812 0.3122 ( 2920 PWs) bands (ev): -3.6790 -3.6790 -3.6789 -3.6789 -1.6027 -1.6027 -1.6026 -1.6026 3.8049 3.8049 3.8050 3.8050 4.0430 4.0430 4.0430 4.0430 7.2708 7.2708 7.2710 7.2710 7.3688 7.3688 7.3689 7.3689 8.3449 8.3449 8.3450 8.3450 9.6515 9.6515 9.6519 9.6519 10.4086 10.4086 10.4090 10.4090 10.6668 10.6668 10.6673 10.6673 12.7071 12.7071 12.7072 12.7072 13.1091 13.1091 13.1094 13.1094 k = 0.4362 0.3812 0.3122 ( 2916 PWs) bands (ev): -3.6850 -3.6850 -3.6850 -3.6850 -1.6176 -1.6176 -1.6175 -1.6175 3.8233 3.8233 3.8233 3.8233 4.0628 4.0628 4.0628 4.0628 7.2730 7.2730 7.2732 7.2732 7.3707 7.3707 7.3707 7.3707 8.3492 8.3492 8.3493 8.3493 9.6502 9.6502 9.6506 9.6506 10.4089 10.4089 10.4093 10.4093 10.6606 10.6606 10.6610 10.6610 12.7095 12.7095 12.7096 12.7096 13.1260 13.1260 13.1263 13.1263 k = 0.4255 0.3812 0.3122 ( 2916 PWs) bands (ev): -3.6922 -3.6922 -3.6921 -3.6921 -1.6348 -1.6348 -1.6348 -1.6348 3.8449 3.8449 3.8449 3.8449 4.0856 4.0856 4.0856 4.0856 7.2761 7.2761 7.2763 7.2763 7.3725 7.3725 7.3725 7.3725 8.3546 8.3546 8.3547 8.3547 9.6484 9.6484 9.6487 9.6487 10.4092 10.4092 10.4096 10.4096 10.6535 10.6535 10.6540 10.6540 12.7120 12.7120 12.7121 12.7121 13.1459 13.1459 13.1461 13.1461 k = 0.4149 0.3812 0.3122 ( 2908 PWs) bands (ev): -3.7002 -3.7002 -3.7002 -3.7002 -1.6543 -1.6543 -1.6543 -1.6543 3.8697 3.8697 3.8697 3.8697 4.1111 4.1111 4.1111 4.1111 7.2803 7.2803 7.2805 7.2805 7.3741 7.3741 7.3742 7.3742 8.3613 8.3613 8.3614 8.3614 9.6459 9.6459 9.6463 9.6463 10.4096 10.4096 10.4100 10.4100 10.6459 10.6459 10.6464 10.6464 12.7145 12.7145 12.7145 12.7145 13.1686 13.1686 13.1688 13.1688 k = 0.4043 0.3812 0.3122 ( 2916 PWs) bands (ev): -3.7093 -3.7093 -3.7092 -3.7092 -1.6760 -1.6760 -1.6759 -1.6759 3.8974 3.8974 3.8974 3.8974 4.1390 4.1390 4.1390 4.1390 7.2861 7.2861 7.2862 7.2862 7.3753 7.3753 7.3754 7.3754 8.3695 8.3695 8.3696 8.3696 9.6428 9.6428 9.6431 9.6431 10.4099 10.4099 10.4103 10.4103 10.6377 10.6377 10.6381 10.6381 12.7168 12.7168 12.7168 12.7168 13.1939 13.1939 13.1941 13.1941 k = 0.3936 0.3812 0.3122 ( 2916 PWs) bands (ev): -3.7191 -3.7191 -3.7191 -3.7191 -1.6995 -1.6995 -1.6995 -1.6995 3.9281 3.9281 3.9281 3.9281 4.1688 4.1688 4.1689 4.1689 7.2935 7.2935 7.2937 7.2937 7.3760 7.3760 7.3761 7.3761 8.3793 8.3793 8.3794 8.3794 9.6388 9.6388 9.6391 9.6391 10.4104 10.4104 10.4108 10.4108 10.6291 10.6291 10.6295 10.6295 12.7188 12.7188 12.7189 12.7189 13.2217 13.2217 13.2218 13.2218 k = 0.3830 0.3812 0.3122 ( 2916 PWs) bands (ev): -3.7298 -3.7298 -3.7298 -3.7298 -1.7248 -1.7248 -1.7248 -1.7248 3.9617 3.9617 3.9617 3.9617 4.2003 4.2003 4.2003 4.2003 7.3030 7.3030 7.3032 7.3032 7.3760 7.3760 7.3761 7.3761 8.3910 8.3910 8.3910 8.3910 9.6339 9.6339 9.6343 9.6343 10.4108 10.4108 10.4112 10.4112 10.6202 10.6202 10.6206 10.6206 12.7205 12.7205 12.7206 12.7206 13.2507 13.2507 13.2508 13.2508 k = 0.3723 0.3812 0.3122 ( 2924 PWs) bands (ev): -3.7413 -3.7413 -3.7413 -3.7413 -1.7517 -1.7517 -1.7517 -1.7517 3.9980 3.9980 3.9981 3.9981 4.2330 4.2330 4.2331 4.2331 7.3148 7.3148 7.3150 7.3150 7.3751 7.3751 7.3751 7.3751 8.4046 8.4046 8.4047 8.4047 9.6280 9.6280 9.6283 9.6283 10.4113 10.4113 10.4117 10.4117 10.6112 10.6112 10.6116 10.6116 12.7217 12.7217 12.7218 12.7218 13.2631 13.2631 13.2633 13.2633 k = 0.3617 0.3812 0.3122 ( 2924 PWs) bands (ev): -3.7534 -3.7534 -3.7534 -3.7534 -1.7800 -1.7800 -1.7799 -1.7799 4.0370 4.0370 4.0370 4.0370 4.2665 4.2665 4.2666 4.2666 7.3290 7.3290 7.3292 7.3292 7.3733 7.3733 7.3734 7.3734 8.4205 8.4205 8.4205 8.4205 9.6210 9.6210 9.6214 9.6214 10.4117 10.4117 10.4121 10.4121 10.6022 10.6022 10.6026 10.6026 12.7224 12.7224 12.7225 12.7225 13.2314 13.2314 13.2317 13.2317 k = 0.3511 0.3812 0.3122 ( 2928 PWs) bands (ev): -3.7662 -3.7662 -3.7662 -3.7662 -1.8094 -1.8094 -1.8094 -1.8094 4.0785 4.0785 4.0785 4.0785 4.3005 4.3005 4.3005 4.3005 7.3451 7.3451 7.3452 7.3452 7.3715 7.3715 7.3716 7.3716 8.4387 8.4387 8.4387 8.4387 9.6130 9.6130 9.6133 9.6133 10.4121 10.4121 10.4125 10.4125 10.5933 10.5933 10.5937 10.5937 12.7226 12.7226 12.7227 12.7227 13.1939 13.1939 13.1942 13.1942 k = 0.3404 0.3812 0.3122 ( 2928 PWs) bands (ev): -3.7795 -3.7795 -3.7795 -3.7795 -1.8399 -1.8399 -1.8399 -1.8399 4.1224 4.1224 4.1224 4.1224 4.3344 4.3344 4.3344 4.3344 7.3558 7.3558 7.3559 7.3559 7.3769 7.3769 7.3770 7.3770 8.4593 8.4593 8.4594 8.4594 9.6038 9.6038 9.6042 9.6042 10.4124 10.4124 10.4128 10.4128 10.5844 10.5844 10.5848 10.5848 12.7221 12.7221 12.7222 12.7222 13.1548 13.1548 13.1551 13.1551 k = 0.3298 0.3812 0.3122 ( 2932 PWs) bands (ev): -3.7933 -3.7933 -3.7933 -3.7933 -1.8712 -1.8712 -1.8712 -1.8712 4.1685 4.1685 4.1686 4.1686 4.3679 4.3679 4.3680 4.3680 7.3529 7.3529 7.3530 7.3530 7.3980 7.3980 7.3982 7.3982 8.4825 8.4825 8.4826 8.4826 9.5935 9.5935 9.5939 9.5939 10.4126 10.4126 10.4130 10.4130 10.5756 10.5756 10.5760 10.5760 12.7208 12.7208 12.7209 12.7209 13.1149 13.1149 13.1152 13.1152 k = 0.3191 0.3812 0.3122 ( 2932 PWs) bands (ev): -3.8075 -3.8075 -3.8075 -3.8075 -1.9032 -1.9032 -1.9032 -1.9032 4.2168 4.2168 4.2169 4.2169 4.4007 4.4007 4.4007 4.4007 7.3451 7.3451 7.3452 7.3452 7.4263 7.4263 7.4265 7.4265 8.5084 8.5084 8.5085 8.5085 9.5822 9.5822 9.5826 9.5826 10.4126 10.4126 10.4130 10.4130 10.5670 10.5670 10.5674 10.5674 12.7188 12.7188 12.7190 12.7190 13.0747 13.0747 13.0750 13.0750 k = 0.3085 0.3812 0.3122 ( 2928 PWs) bands (ev): -3.8221 -3.8221 -3.8221 -3.8221 -1.9357 -1.9357 -1.9356 -1.9356 4.2671 4.2671 4.2671 4.2671 4.4323 4.4323 4.4323 4.4323 7.3349 7.3349 7.3350 7.3350 7.4594 7.4594 7.4596 7.4596 8.5368 8.5368 8.5369 8.5369 9.5699 9.5699 9.5702 9.5702 10.4125 10.4125 10.4129 10.4129 10.5585 10.5585 10.5589 10.5589 12.7160 12.7160 12.7162 12.7162 13.0345 13.0345 13.0348 13.0348 k = 0.2979 0.3812 0.3122 ( 2936 PWs) bands (ev): -3.8369 -3.8369 -3.8369 -3.8369 -1.9684 -1.9684 -1.9684 -1.9684 4.3193 4.3193 4.3193 4.3193 4.4625 4.4625 4.4625 4.4625 7.3225 7.3225 7.3226 7.3226 7.4973 7.4973 7.4974 7.4974 8.5678 8.5678 8.5679 8.5679 9.5566 9.5566 9.5569 9.5569 10.4120 10.4120 10.4124 10.4124 10.5500 10.5500 10.5504 10.5504 12.7123 12.7123 12.7124 12.7124 12.9948 12.9948 12.9951 12.9951 k = 0.2872 0.3812 0.3122 ( 2936 PWs) bands (ev): -3.8519 -3.8519 -3.8519 -3.8519 -2.0014 -2.0014 -2.0013 -2.0013 4.3731 4.3731 4.3731 4.3731 4.4910 4.4910 4.4910 4.4910 7.3081 7.3081 7.3082 7.3082 7.5398 7.5398 7.5399 7.5399 8.6014 8.6014 8.6015 8.6015 9.5424 9.5424 9.5428 9.5428 10.4113 10.4113 10.4117 10.4117 10.5416 10.5416 10.5420 10.5420 12.7076 12.7076 12.7078 12.7078 12.9560 12.9560 12.9563 12.9563 k = 0.2766 0.3812 0.3122 ( 2924 PWs) bands (ev): -3.8670 -3.8670 -3.8670 -3.8670 -2.0343 -2.0343 -2.0342 -2.0342 4.4285 4.4285 4.4285 4.4285 4.5176 4.5176 4.5176 4.5176 7.2918 7.2918 7.2919 7.2919 7.5871 7.5871 7.5873 7.5873 8.6374 8.6374 8.6375 8.6375 9.5275 9.5275 9.5279 9.5279 10.4101 10.4101 10.4105 10.4105 10.5333 10.5333 10.5336 10.5336 12.7020 12.7020 12.7022 12.7022 12.9185 12.9185 12.9188 12.9188 k = 0.2660 0.3812 0.3122 ( 2932 PWs) bands (ev): -3.8822 -3.8822 -3.8822 -3.8822 -2.0671 -2.0671 -2.0670 -2.0670 4.4852 4.4852 4.4853 4.4853 4.5422 4.5422 4.5422 4.5422 7.2735 7.2735 7.2735 7.2735 7.6392 7.6392 7.6393 7.6393 8.6757 8.6757 8.6758 8.6758 9.5120 9.5120 9.5123 9.5123 10.4083 10.4083 10.4087 10.4087 10.5247 10.5247 10.5250 10.5250 12.6953 12.6953 12.6955 12.6955 12.8826 12.8826 12.8829 12.8829 k = 0.2553 0.3812 0.3122 ( 2940 PWs) bands (ev): -3.8974 -3.8974 -3.8974 -3.8974 -2.0996 -2.0996 -2.0995 -2.0995 4.5429 4.5429 4.5429 4.5429 4.5649 4.5649 4.5650 4.5650 7.2532 7.2532 7.2533 7.2533 7.6960 7.6960 7.6961 7.6961 8.7161 8.7161 8.7161 8.7161 9.4959 9.4959 9.4963 9.4963 10.4059 10.4059 10.4062 10.4062 10.5158 10.5158 10.5162 10.5162 12.6875 12.6875 12.6877 12.6877 12.8488 12.8488 12.8491 12.8491 k = 0.2447 0.3812 0.3122 ( 2932 PWs) bands (ev): -3.9125 -3.9125 -3.9125 -3.9125 -2.1316 -2.1316 -2.1316 -2.1316 4.5835 4.5835 4.5836 4.5836 4.6036 4.6036 4.6036 4.6036 7.2312 7.2312 7.2313 7.2313 7.7574 7.7574 7.7576 7.7576 8.7584 8.7584 8.7584 8.7584 9.4795 9.4795 9.4799 9.4799 10.4028 10.4028 10.4031 10.4031 10.5068 10.5068 10.5071 10.5071 12.6786 12.6786 12.6788 12.6788 12.8176 12.8176 12.8178 12.8178 k = 0.2340 0.3812 0.3122 ( 2928 PWs) bands (ev): -3.9274 -3.9274 -3.9274 -3.9274 -2.1632 -2.1632 -2.1631 -2.1631 4.6019 4.6019 4.6019 4.6019 4.6632 4.6632 4.6633 4.6633 7.2074 7.2074 7.2075 7.2075 7.8233 7.8233 7.8235 7.8235 8.8024 8.8024 8.8025 8.8025 9.4629 9.4629 9.4632 9.4632 10.3988 10.3988 10.3992 10.3992 10.4972 10.4972 10.4975 10.4975 12.6685 12.6685 12.6687 12.6687 12.7892 12.7892 12.7895 12.7895 k = 0.2234 0.3812 0.3122 ( 2928 PWs) bands (ev): -3.9422 -3.9422 -3.9422 -3.9422 -2.1940 -2.1940 -2.1940 -2.1940 4.6176 4.6176 4.6176 4.6176 4.7241 4.7241 4.7241 4.7241 7.1820 7.1820 7.1821 7.1821 7.8935 7.8935 7.8936 7.8936 8.8480 8.8480 8.8480 8.8480 9.4461 9.4461 9.4465 9.4465 10.3939 10.3939 10.3942 10.3942 10.4870 10.4870 10.4873 10.4873 12.6574 12.6574 12.6575 12.6575 12.7640 12.7640 12.7642 12.7642 k = 0.2128 0.3812 0.3122 ( 2928 PWs) bands (ev): -3.9566 -3.9566 -3.9566 -3.9566 -2.2241 -2.2241 -2.2240 -2.2240 4.6311 4.6311 4.6312 4.6312 4.7857 4.7857 4.7857 4.7857 7.1549 7.1549 7.1550 7.1550 7.9676 7.9676 7.9677 7.9677 8.8947 8.8947 8.8948 8.8948 9.4294 9.4294 9.4297 9.4297 10.3879 10.3879 10.3882 10.3882 10.4761 10.4761 10.4764 10.4764 12.6451 12.6451 12.6453 12.6453 12.7422 12.7422 12.7424 12.7424 k = 0.2021 0.3812 0.3122 ( 2932 PWs) bands (ev): -3.9708 -3.9708 -3.9707 -3.9707 -2.2533 -2.2533 -2.2533 -2.2533 4.6426 4.6426 4.6426 4.6426 4.8477 4.8477 4.8478 4.8478 7.1263 7.1263 7.1264 7.1264 8.0453 8.0453 8.0455 8.0455 8.9425 8.9425 8.9425 8.9425 9.4127 9.4127 9.4130 9.4130 10.3807 10.3807 10.3810 10.3810 10.4643 10.4643 10.4646 10.4646 12.6319 12.6319 12.6321 12.6321 12.7241 12.7241 12.7243 12.7243 k = 0.1915 0.3812 0.3122 ( 2920 PWs) bands (ev): -3.9845 -3.9845 -3.9845 -3.9845 -2.2815 -2.2815 -2.2815 -2.2815 4.6522 4.6522 4.6522 4.6522 4.9101 4.9101 4.9102 4.9102 7.0964 7.0964 7.0965 7.0965 8.1264 8.1264 8.1265 8.1265 8.9909 8.9909 8.9910 8.9910 9.3965 9.3965 9.3968 9.3968 10.3723 10.3723 10.3726 10.3726 10.4517 10.4517 10.4519 10.4519 12.6179 12.6179 12.6181 12.6181 12.7098 12.7098 12.7100 12.7100 k = 0.1809 0.3812 0.3122 ( 2920 PWs) bands (ev): -3.9978 -3.9978 -3.9978 -3.9978 -2.3087 -2.3087 -2.3087 -2.3087 4.6600 4.6600 4.6601 4.6601 4.9726 4.9726 4.9727 4.9727 7.0651 7.0651 7.0652 7.0652 8.2103 8.2103 8.2104 8.2104 9.0398 9.0398 9.0399 9.0399 9.3806 9.3806 9.3809 9.3809 10.3624 10.3624 10.3627 10.3627 10.4379 10.4379 10.4381 10.4381 12.6031 12.6031 12.6033 12.6033 12.6995 12.6995 12.6997 12.6997 k = 0.1702 0.3812 0.3122 ( 2920 PWs) bands (ev): -4.0106 -4.0106 -4.0106 -4.0106 -2.3348 -2.3348 -2.3347 -2.3347 4.6663 4.6663 4.6663 4.6663 5.0351 5.0351 5.0351 5.0351 7.0326 7.0326 7.0327 7.0327 8.2966 8.2966 8.2968 8.2968 9.0888 9.0888 9.0889 9.0889 9.3654 9.3654 9.3657 9.3657 10.3511 10.3511 10.3514 10.3514 10.4228 10.4228 10.4230 10.4230 12.5877 12.5877 12.5879 12.5879 12.6933 12.6933 12.6936 12.6936 k = 0.1596 0.3812 0.3122 ( 2916 PWs) bands (ev): -4.0229 -4.0229 -4.0229 -4.0229 -2.3596 -2.3596 -2.3595 -2.3595 4.6711 4.6711 4.6712 4.6712 5.0973 5.0973 5.0974 5.0974 6.9989 6.9989 6.9990 6.9990 8.3850 8.3850 8.3851 8.3851 9.1376 9.1376 9.1377 9.1377 9.3509 9.3509 9.3512 9.3512 10.3382 10.3382 10.3384 10.3384 10.4065 10.4065 10.4067 10.4067 12.5715 12.5715 12.5717 12.5717 12.6915 12.6915 12.6917 12.6917 k = 0.1489 0.3812 0.3122 ( 2916 PWs) bands (ev): -4.0346 -4.0346 -4.0346 -4.0346 -2.3831 -2.3831 -2.3830 -2.3830 4.6748 4.6748 4.6748 4.6748 5.1591 5.1591 5.1591 5.1591 6.9644 6.9644 6.9645 6.9645 8.4747 8.4747 8.4748 8.4748 9.1859 9.1859 9.1859 9.1859 9.3375 9.3375 9.3378 9.3378 10.3235 10.3235 10.3237 10.3237 10.3889 10.3889 10.3891 10.3891 12.5547 12.5547 12.5549 12.5549 12.6940 12.6940 12.6943 12.6943 k = 0.1383 0.3812 0.3122 ( 2916 PWs) bands (ev): -4.0457 -4.0457 -4.0456 -4.0456 -2.4053 -2.4053 -2.4052 -2.4052 4.6773 4.6773 4.6774 4.6774 5.2202 5.2202 5.2202 5.2202 6.9290 6.9290 6.9291 6.9291 8.5653 8.5653 8.5654 8.5654 9.2328 9.2328 9.2328 9.2328 9.3257 9.3257 9.3260 9.3260 10.3069 10.3069 10.3072 10.3072 10.3699 10.3699 10.3701 10.3701 12.5374 12.5374 12.5376 12.5376 12.7009 12.7009 12.7011 12.7011 k = 0.1277 0.3812 0.3122 ( 2908 PWs) bands (ev): -4.0561 -4.0561 -4.0560 -4.0560 -2.4260 -2.4260 -2.4259 -2.4259 4.6790 4.6790 4.6791 4.6791 5.2804 5.2804 5.2804 5.2804 6.8930 6.8930 6.8931 6.8931 8.6562 8.6562 8.6563 8.6563 9.2755 9.2755 9.2756 9.2756 9.3184 9.3184 9.3187 9.3187 10.2883 10.2883 10.2885 10.2885 10.3497 10.3497 10.3499 10.3499 12.5197 12.5197 12.5199 12.5199 12.7118 12.7118 12.7121 12.7121 k = 0.1170 0.3812 0.3122 ( 2912 PWs) bands (ev): -4.0658 -4.0658 -4.0657 -4.0657 -2.4453 -2.4453 -2.4452 -2.4452 4.6800 4.6800 4.6800 4.6800 5.3394 5.3394 5.3394 5.3394 6.8565 6.8565 6.8566 6.8566 8.7465 8.7465 8.7466 8.7466 9.2933 9.2933 9.2935 9.2935 9.3363 9.3363 9.3364 9.3364 10.2673 10.2673 10.2675 10.2675 10.3285 10.3285 10.3287 10.3287 12.5018 12.5018 12.5020 12.5020 12.7265 12.7265 12.7267 12.7267 k = 0.1064 0.3812 0.3122 ( 2900 PWs) bands (ev): -4.0747 -4.0747 -4.0747 -4.0747 -2.4630 -2.4630 -2.4630 -2.4630 4.6804 4.6804 4.6804 4.6804 5.3969 5.3969 5.3969 5.3969 6.8199 6.8199 6.8200 6.8200 8.8354 8.8354 8.8355 8.8355 9.2893 9.2893 9.2895 9.2895 9.3766 9.3766 9.3766 9.3766 10.2437 10.2437 10.2439 10.2439 10.3067 10.3067 10.3070 10.3070 12.4840 12.4840 12.4842 12.4842 12.7444 12.7444 12.7446 12.7446 k = 0.0957 0.3812 0.3122 ( 2900 PWs) bands (ev): -4.0829 -4.0829 -4.0829 -4.0829 -2.4792 -2.4792 -2.4792 -2.4792 4.6803 4.6803 4.6804 4.6804 5.4524 5.4524 5.4525 5.4525 6.7834 6.7834 6.7835 6.7835 8.9215 8.9215 8.9216 8.9216 9.2848 9.2848 9.2851 9.2851 9.4182 9.4182 9.4182 9.4182 10.2169 10.2169 10.2171 10.2171 10.2847 10.2847 10.2849 10.2849 12.4665 12.4665 12.4667 12.4667 12.7650 12.7650 12.7652 12.7652 k = 0.0851 0.3812 0.3122 ( 2892 PWs) bands (ev): -4.0904 -4.0904 -4.0903 -4.0903 -2.4938 -2.4938 -2.4938 -2.4938 4.6799 4.6799 4.6799 4.6799 5.5056 5.5056 5.5057 5.5057 6.7474 6.7474 6.7476 6.7476 9.0025 9.0025 9.0026 9.0026 9.2843 9.2843 9.2845 9.2845 9.4584 9.4584 9.4584 9.4584 10.1869 10.1869 10.1871 10.1871 10.2630 10.2630 10.2633 10.2633 12.4497 12.4497 12.4499 12.4499 12.7874 12.7874 12.7876 12.7876 k = 0.0745 0.3812 0.3122 ( 2884 PWs) bands (ev): -4.0970 -4.0970 -4.0969 -4.0969 -2.5068 -2.5068 -2.5067 -2.5067 4.6793 4.6793 4.6793 4.6793 5.5559 5.5559 5.5560 5.5560 6.7125 6.7125 6.7127 6.7127 9.0741 9.0741 9.0743 9.0743 9.2916 9.2916 9.2918 9.2918 9.4963 9.4963 9.4964 9.4964 10.1536 10.1536 10.1538 10.1538 10.2420 10.2420 10.2423 10.2423 12.4338 12.4338 12.4341 12.4341 12.8108 12.8108 12.8110 12.8110 k = 0.0638 0.3812 0.3122 ( 2888 PWs) bands (ev): -4.1027 -4.1027 -4.1027 -4.1027 -2.5181 -2.5181 -2.5180 -2.5180 4.6785 4.6785 4.6786 4.6786 5.6027 5.6027 5.6027 5.6027 6.6792 6.6792 6.6794 6.6794 9.1291 9.1291 9.1293 9.1293 9.3133 9.3133 9.3135 9.3135 9.5316 9.5316 9.5316 9.5316 10.1171 10.1171 10.1174 10.1174 10.2219 10.2219 10.2221 10.2221 12.4192 12.4192 12.4195 12.4195 12.8342 12.8342 12.8344 12.8344 k = 0.0532 0.3812 0.3122 ( 2892 PWs) bands (ev): -4.1076 -4.1076 -4.1076 -4.1076 -2.5277 -2.5277 -2.5276 -2.5276 4.6777 4.6777 4.6778 4.6778 5.6450 5.6450 5.6450 5.6450 6.6483 6.6483 6.6485 6.6485 9.1618 9.1618 9.1621 9.1621 9.3541 9.3541 9.3542 9.3542 9.5637 9.5637 9.5637 9.5637 10.0780 10.0780 10.0782 10.0782 10.2032 10.2032 10.2035 10.2035 12.4062 12.4062 12.4065 12.4065 12.8566 12.8566 12.8568 12.8568 k = 0.0426 0.3812 0.3122 ( 2888 PWs) bands (ev): -4.1117 -4.1117 -4.1117 -4.1117 -2.5356 -2.5356 -2.5355 -2.5355 4.6770 4.6770 4.6771 4.6771 5.6820 5.6820 5.6820 5.6820 6.6208 6.6208 6.6209 6.6209 9.1771 9.1771 9.1774 9.1774 9.4077 9.4077 9.4078 9.4078 9.5922 9.5922 9.5923 9.5923 10.0371 10.0371 10.0374 10.0374 10.1866 10.1866 10.1869 10.1869 12.3951 12.3951 12.3955 12.3955 12.8768 12.8768 12.8770 12.8770 k = 0.0319 0.3812 0.3122 ( 2892 PWs) bands (ev): -4.1148 -4.1148 -4.1148 -4.1148 -2.5417 -2.5417 -2.5417 -2.5417 4.6764 4.6764 4.6764 4.6764 5.7125 5.7125 5.7125 5.7125 6.5976 6.5976 6.5977 6.5977 9.1834 9.1834 9.1837 9.1837 9.4630 9.4630 9.4631 9.4631 9.6170 9.6170 9.6170 9.6170 9.9962 9.9962 9.9965 9.9965 10.1726 10.1726 10.1729 10.1729 12.3862 12.3862 12.3865 12.3865 12.8938 12.8938 12.8940 12.8940 k = 0.0213 0.3812 0.3122 ( 2892 PWs) bands (ev): -4.1171 -4.1171 -4.1171 -4.1171 -2.5461 -2.5461 -2.5461 -2.5461 4.6759 4.6759 4.6760 4.6760 5.7354 5.7354 5.7355 5.7355 6.5799 6.5799 6.5801 6.5801 9.1859 9.1859 9.1862 9.1862 9.5111 9.5111 9.5111 9.5111 9.6376 9.6376 9.6377 9.6377 9.9584 9.9584 9.9587 9.9587 10.1619 10.1619 10.1622 10.1622 12.3797 12.3797 12.3800 12.3800 12.9068 12.9068 12.9070 12.9070 k = 0.0106 0.3812 0.3122 ( 2876 PWs) bands (ev): -4.1184 -4.1184 -4.1184 -4.1184 -2.5488 -2.5488 -2.5487 -2.5487 4.6756 4.6756 4.6757 4.6757 5.7497 5.7497 5.7497 5.7497 6.5689 6.5689 6.5690 6.5690 9.1869 9.1869 9.1872 9.1872 9.5439 9.5439 9.5440 9.5440 9.6531 9.6531 9.6531 9.6531 9.9298 9.9298 9.9301 9.9301 10.1552 10.1552 10.1555 10.1555 12.3758 12.3758 12.3761 12.3761 12.9149 12.9149 12.9151 12.9151 k = 0.0000 0.3812 0.3122 ( 2872 PWs) bands (ev): -4.1189 -4.1189 -4.1189 -4.1189 -2.5497 -2.5497 -2.5496 -2.5496 4.6755 4.6755 4.6756 4.6756 5.7546 5.7546 5.7546 5.7546 6.5651 6.5651 6.5652 6.5652 9.1871 9.1871 9.1875 9.1875 9.5556 9.5556 9.5556 9.5556 9.6593 9.6593 9.6593 9.6593 9.9187 9.9187 9.9190 9.9190 10.1530 10.1530 10.1533 10.1533 12.3744 12.3744 12.3747 12.3747 12.9177 12.9177 12.9179 12.9179 k = 0.0000 0.3812 0.3122 ( 2872 PWs) bands (ev): -4.1189 -4.1189 -4.1189 -4.1189 -2.5497 -2.5497 -2.5496 -2.5496 4.6755 4.6755 4.6756 4.6756 5.7546 5.7546 5.7546 5.7546 6.5651 6.5651 6.5652 6.5652 9.1871 9.1871 9.1875 9.1875 9.5556 9.5556 9.5556 9.5556 9.6593 9.6593 9.6593 9.6593 9.9187 9.9187 9.9190 9.9190 10.1530 10.1530 10.1533 10.1533 12.3744 12.3744 12.3747 12.3747 12.9177 12.9177 12.9179 12.9179 k = 0.0000 0.3706 0.3122 ( 2876 PWs) bands (ev): -4.1217 -4.1217 -4.1217 -4.1217 -2.5455 -2.5455 -2.5455 -2.5455 4.6726 4.6726 4.6727 4.6727 5.7581 5.7581 5.7581 5.7581 6.5657 6.5657 6.5659 6.5659 9.1759 9.1759 9.1763 9.1763 9.5521 9.5521 9.5522 9.5522 9.6589 9.6589 9.6589 9.6589 9.9235 9.9235 9.9238 9.9238 10.1571 10.1571 10.1574 10.1574 12.3754 12.3754 12.3758 12.3758 12.9193 12.9193 12.9195 12.9195 k = 0.0000 0.3600 0.3122 ( 2884 PWs) bands (ev): -4.1299 -4.1299 -4.1299 -4.1299 -2.5332 -2.5332 -2.5332 -2.5332 4.6639 4.6639 4.6640 4.6640 5.7685 5.7685 5.7686 5.7686 6.5677 6.5677 6.5678 6.5678 9.1439 9.1439 9.1442 9.1442 9.5406 9.5406 9.5406 9.5406 9.6588 9.6588 9.6588 9.6588 9.9372 9.9372 9.9375 9.9375 10.1688 10.1688 10.1691 10.1691 12.3785 12.3785 12.3788 12.3788 12.9243 12.9243 12.9245 12.9245 k = 0.0000 0.3494 0.3122 ( 2884 PWs) bands (ev): -4.1433 -4.1433 -4.1433 -4.1433 -2.5131 -2.5131 -2.5130 -2.5130 4.6499 4.6499 4.6500 4.6500 5.7855 5.7855 5.7855 5.7855 6.5710 6.5710 6.5711 6.5711 9.0945 9.0945 9.0948 9.0948 9.5194 9.5194 9.5195 9.5195 9.6607 9.6607 9.6608 9.6608 9.9578 9.9578 9.9581 9.9581 10.1870 10.1870 10.1873 10.1873 12.3834 12.3834 12.3837 12.3837 12.9325 12.9325 12.9328 12.9328 k = 0.0000 0.3388 0.3122 ( 2888 PWs) bands (ev): -4.1614 -4.1614 -4.1614 -4.1614 -2.4856 -2.4856 -2.4855 -2.4855 4.6311 4.6311 4.6311 4.6311 5.8082 5.8082 5.8083 5.8083 6.5756 6.5756 6.5757 6.5757 9.0315 9.0315 9.0317 9.0317 9.4891 9.4891 9.4891 9.4891 9.6650 9.6650 9.6651 9.6651 9.9825 9.9825 9.9828 9.9828 10.2102 10.2102 10.2106 10.2106 12.3900 12.3900 12.3903 12.3903 12.9441 12.9441 12.9443 12.9443 k = 0.0000 0.3282 0.3122 ( 2884 PWs) bands (ev): -4.1837 -4.1837 -4.1837 -4.1837 -2.4512 -2.4512 -2.4512 -2.4512 4.6081 4.6081 4.6082 4.6082 5.8361 5.8361 5.8361 5.8361 6.5815 6.5815 6.5816 6.5816 8.9579 8.9579 8.9581 8.9581 9.4515 9.4515 9.4515 9.4515 9.6708 9.6708 9.6709 9.6709 10.0093 10.0093 10.0095 10.0095 10.2369 10.2369 10.2372 10.2372 12.3980 12.3980 12.3983 12.3983 12.9588 12.9588 12.9590 12.9590 k = 0.0000 0.3176 0.3122 ( 2884 PWs) bands (ev): -4.2095 -4.2095 -4.2095 -4.2095 -2.4108 -2.4108 -2.4107 -2.4107 4.5818 4.5818 4.5818 4.5818 5.8682 5.8682 5.8682 5.8682 6.5887 6.5887 6.5888 6.5888 8.8764 8.8764 8.8766 8.8766 9.4084 9.4084 9.4085 9.4085 9.6774 9.6774 9.6776 9.6776 10.0363 10.0363 10.0365 10.0365 10.2656 10.2656 10.2659 10.2659 12.4071 12.4071 12.4074 12.4074 12.9767 12.9767 12.9769 12.9769 k = 0.0000 0.3070 0.3122 ( 2888 PWs) bands (ev): -4.2383 -4.2383 -4.2383 -4.2383 -2.3649 -2.3649 -2.3648 -2.3648 4.5527 4.5527 4.5528 4.5528 5.9037 5.9037 5.9037 5.9037 6.5971 6.5971 6.5973 6.5973 8.7890 8.7890 8.7891 8.7891 9.3614 9.3614 9.3615 9.3615 9.6845 9.6845 9.6847 9.6847 10.0623 10.0623 10.0626 10.0626 10.2952 10.2952 10.2955 10.2955 12.4168 12.4168 12.4171 12.4171 12.9976 12.9976 12.9978 12.9978 k = 0.0000 0.2965 0.3122 ( 2886 PWs) bands (ev): -4.2695 -4.2695 -4.2695 -4.2695 -2.3141 -2.3141 -2.3141 -2.3141 4.5215 4.5215 4.5216 4.5216 5.9418 5.9418 5.9418 5.9418 6.6068 6.6068 6.6070 6.6070 8.6971 8.6971 8.6972 8.6972 9.3115 9.3115 9.3115 9.3115 9.6922 9.6922 9.6924 9.6924 10.0865 10.0865 10.0868 10.0868 10.3251 10.3251 10.3255 10.3255 12.4270 12.4270 12.4273 12.4273 13.0214 13.0214 13.0216 13.0216 k = 0.0000 0.2859 0.3122 ( 2894 PWs) bands (ev): -4.3024 -4.3024 -4.3024 -4.3024 -2.2593 -2.2593 -2.2592 -2.2592 4.4888 4.4888 4.4888 4.4888 5.9816 5.9816 5.9817 5.9817 6.6178 6.6178 6.6179 6.6179 8.6020 8.6020 8.6022 8.6022 9.2593 9.2593 9.2594 9.2594 9.7002 9.7002 9.7004 9.7004 10.1084 10.1084 10.1086 10.1086 10.3548 10.3548 10.3551 10.3551 12.4370 12.4370 12.4373 12.4373 13.0480 13.0480 13.0482 13.0482 k = 0.0000 0.2753 0.3122 ( 2894 PWs) bands (ev): -4.3366 -4.3366 -4.3366 -4.3366 -2.2009 -2.2009 -2.2009 -2.2009 4.4550 4.4550 4.4550 4.4550 6.0225 6.0225 6.0225 6.0225 6.6299 6.6299 6.6301 6.6301 8.5051 8.5051 8.5052 8.5052 9.2056 9.2056 9.2056 9.2056 9.7088 9.7088 9.7090 9.7090 10.1277 10.1277 10.1280 10.1280 10.3836 10.3836 10.3840 10.3840 12.4465 12.4465 12.4468 12.4468 13.0773 13.0773 13.0775 13.0775 k = 0.0000 0.2647 0.3122 ( 2884 PWs) bands (ev): -4.3717 -4.3717 -4.3716 -4.3716 -2.1395 -2.1395 -2.1395 -2.1395 4.4205 4.4205 4.4206 4.4206 6.0635 6.0635 6.0635 6.0635 6.6433 6.6433 6.6435 6.6435 8.4074 8.4074 8.4075 8.4075 9.1507 9.1507 9.1507 9.1507 9.7180 9.7180 9.7182 9.7182 10.1444 10.1444 10.1447 10.1447 10.4115 10.4115 10.4118 10.4118 12.4552 12.4552 12.4554 12.4554 13.1091 13.1091 13.1093 13.1093 k = 0.0000 0.2541 0.3122 ( 2884 PWs) bands (ev): -4.4071 -4.4071 -4.4071 -4.4071 -2.0757 -2.0757 -2.0757 -2.0757 4.3858 4.3858 4.3858 4.3858 6.1039 6.1039 6.1039 6.1039 6.6579 6.6579 6.6580 6.6580 8.3098 8.3098 8.3099 8.3099 9.0949 9.0949 9.0950 9.0950 9.7276 9.7276 9.7278 9.7278 10.1585 10.1585 10.1587 10.1587 10.4380 10.4380 10.4383 10.4383 12.4625 12.4625 12.4628 12.4628 13.1431 13.1431 13.1433 13.1433 k = 0.0000 0.2435 0.3122 ( 2888 PWs) bands (ev): -4.4427 -4.4427 -4.4427 -4.4427 -2.0099 -2.0099 -2.0099 -2.0099 4.3510 4.3510 4.3510 4.3510 6.1429 6.1429 6.1430 6.1430 6.6735 6.6735 6.6737 6.6737 8.2136 8.2136 8.2137 8.2137 9.0387 9.0387 9.0387 9.0387 9.7378 9.7378 9.7380 9.7380 10.1700 10.1700 10.1703 10.1703 10.4631 10.4631 10.4635 10.4635 12.4682 12.4682 12.4685 12.4685 13.1792 13.1792 13.1794 13.1794 k = 0.0000 0.2329 0.3122 ( 2888 PWs) bands (ev): -4.4781 -4.4781 -4.4781 -4.4781 -1.9426 -1.9426 -1.9426 -1.9426 4.3165 4.3165 4.3165 4.3165 6.1797 6.1797 6.1797 6.1797 6.6903 6.6903 6.6904 6.6904 8.1198 8.1198 8.1199 8.1199 8.9821 8.9821 8.9822 8.9822 9.7486 9.7486 9.7488 9.7488 10.1792 10.1792 10.1795 10.1795 10.4868 10.4868 10.4872 10.4872 12.4720 12.4720 12.4723 12.4723 13.2172 13.2172 13.2174 13.2174 k = 0.0000 0.2223 0.3122 ( 2888 PWs) bands (ev): -4.5130 -4.5130 -4.5130 -4.5130 -1.8743 -1.8743 -1.8742 -1.8742 4.2824 4.2824 4.2825 4.2825 6.2133 6.2133 6.2134 6.2134 6.7081 6.7081 6.7082 6.7082 8.0296 8.0296 8.0296 8.0296 8.9256 8.9256 8.9256 8.9256 9.7599 9.7599 9.7601 9.7601 10.1863 10.1863 10.1866 10.1866 10.5089 10.5089 10.5093 10.5093 12.4736 12.4736 12.4738 12.4738 13.2567 13.2567 13.2569 13.2569 k = 0.0000 0.2118 0.3122 ( 2902 PWs) bands (ev): -4.5472 -4.5472 -4.5472 -4.5472 -1.8052 -1.8052 -1.8052 -1.8052 4.2490 4.2490 4.2490 4.2490 6.2428 6.2428 6.2429 6.2429 6.7269 6.7269 6.7270 6.7270 7.9441 7.9441 7.9441 7.9441 8.8691 8.8691 8.8692 8.8692 9.7717 9.7717 9.7719 9.7719 10.1914 10.1914 10.1917 10.1917 10.5294 10.5294 10.5298 10.5298 12.4726 12.4726 12.4729 12.4729 13.2975 13.2975 13.2977 13.2977 k = 0.0000 0.2012 0.3122 ( 2902 PWs) bands (ev): -4.5806 -4.5806 -4.5806 -4.5806 -1.7359 -1.7359 -1.7359 -1.7359 4.2164 4.2164 4.2164 4.2164 6.2672 6.2672 6.2672 6.2672 6.7466 6.7466 6.7467 6.7467 7.8646 7.8646 7.8646 7.8646 8.8130 8.8130 8.8131 8.8131 9.7840 9.7840 9.7842 9.7842 10.1950 10.1950 10.1954 10.1954 10.5484 10.5484 10.5488 10.5488 12.4691 12.4691 12.4693 12.4693 13.3393 13.3393 13.3395 13.3395 k = 0.0000 0.1906 0.3122 ( 2902 PWs) bands (ev): -4.6129 -4.6129 -4.6129 -4.6129 -1.6667 -1.6667 -1.6667 -1.6667 4.1847 4.1847 4.1847 4.1847 6.2854 6.2854 6.2854 6.2854 6.7672 6.7672 6.7673 6.7673 7.7923 7.7923 7.7923 7.7923 8.7574 8.7574 8.7575 8.7575 9.7968 9.7968 9.7970 9.7970 10.1972 10.1972 10.1975 10.1975 10.5660 10.5660 10.5663 10.5663 12.4629 12.4629 12.4630 12.4630 13.3818 13.3818 13.3820 13.3820 k = 0.0000 0.1800 0.3122 ( 2902 PWs) bands (ev): -4.6441 -4.6441 -4.6441 -4.6441 -1.5980 -1.5980 -1.5980 -1.5980 4.1540 4.1540 4.1540 4.1540 6.2966 6.2966 6.2966 6.2966 6.7886 6.7886 6.7887 6.7887 7.7284 7.7284 7.7284 7.7284 8.7025 8.7025 8.7026 8.7026 9.8099 9.8099 9.8102 9.8102 10.1983 10.1983 10.1986 10.1986 10.5820 10.5820 10.5824 10.5824 12.4538 12.4538 12.4540 12.4540 13.4246 13.4246 13.4249 13.4249 k = 0.0000 0.1694 0.3122 ( 2902 PWs) bands (ev): -4.6740 -4.6740 -4.6739 -4.6739 -1.5302 -1.5302 -1.5302 -1.5302 4.1245 4.1245 4.1245 4.1245 6.2999 6.2999 6.3000 6.3000 6.8107 6.8107 6.8108 6.8108 7.6738 7.6738 7.6739 7.6739 8.6485 8.6485 8.6486 8.6486 9.8233 9.8233 9.8236 9.8236 10.1984 10.1984 10.1987 10.1987 10.5967 10.5967 10.5970 10.5970 12.4421 12.4421 12.4422 12.4422 13.4674 13.4674 13.4676 13.4676 k = 0.0000 0.1588 0.3122 ( 2906 PWs) bands (ev): -4.7024 -4.7024 -4.7024 -4.7024 -1.4637 -1.4637 -1.4636 -1.4636 4.0961 4.0961 4.0962 4.0962 6.2951 6.2951 6.2952 6.2952 6.8334 6.8334 6.8335 6.8335 7.6291 7.6291 7.6292 7.6292 8.5955 8.5955 8.5956 8.5956 9.8369 9.8369 9.8371 9.8371 10.1978 10.1978 10.1981 10.1981 10.6100 10.6100 10.6103 10.6103 12.4276 12.4276 12.4277 12.4277 13.5094 13.5094 13.5097 13.5097 k = 0.0000 0.1482 0.3122 ( 2904 PWs) bands (ev): -4.7294 -4.7294 -4.7294 -4.7294 -1.3988 -1.3988 -1.3988 -1.3988 4.0692 4.0692 4.0692 4.0692 6.2823 6.2823 6.2823 6.2823 6.8566 6.8566 6.8567 6.8567 7.5945 7.5945 7.5945 7.5945 8.5438 8.5438 8.5439 8.5439 9.8505 9.8505 9.8507 9.8507 10.1968 10.1968 10.1971 10.1971 10.6220 10.6220 10.6224 10.6224 12.4108 12.4108 12.4109 12.4109 13.5490 13.5490 13.5492 13.5492 k = 0.0000 0.1376 0.3122 ( 2904 PWs) bands (ev): -4.7548 -4.7548 -4.7547 -4.7547 -1.3360 -1.3360 -1.3360 -1.3360 4.0436 4.0436 4.0436 4.0436 6.2619 6.2619 6.2620 6.2620 6.8801 6.8801 6.8802 6.8802 7.5694 7.5694 7.5694 7.5694 8.4935 8.4935 8.4936 8.4936 9.8640 9.8640 9.8642 9.8642 10.1956 10.1956 10.1959 10.1959 10.6328 10.6328 10.6332 10.6332 12.3917 12.3917 12.3918 12.3918 13.5694 13.5694 13.5695 13.5695 k = 0.0000 0.1271 0.3122 ( 2914 PWs) bands (ev): -4.7785 -4.7785 -4.7785 -4.7785 -1.2756 -1.2756 -1.2756 -1.2756 4.0194 4.0194 4.0195 4.0195 6.2352 6.2352 6.2353 6.2353 6.9037 6.9037 6.9038 6.9038 7.5530 7.5530 7.5531 7.5531 8.4448 8.4448 8.4450 8.4450 9.8772 9.8772 9.8774 9.8774 10.1943 10.1943 10.1947 10.1947 10.6424 10.6424 10.6428 10.6428 12.3708 12.3708 12.3709 12.3709 13.5528 13.5528 13.5529 13.5529 k = 0.0000 0.1165 0.3122 ( 2914 PWs) bands (ev): -4.8005 -4.8005 -4.8005 -4.8005 -1.2182 -1.2182 -1.2181 -1.2181 3.9969 3.9969 3.9969 3.9969 6.2036 6.2036 6.2036 6.2036 6.9273 6.9273 6.9274 6.9274 7.5442 7.5442 7.5442 7.5442 8.3980 8.3980 8.3981 8.3981 9.8899 9.8899 9.8901 9.8901 10.1933 10.1933 10.1937 10.1937 10.6510 10.6510 10.6514 10.6514 12.3485 12.3485 12.3486 12.3486 13.5321 13.5321 13.5322 13.5322 k = 0.0000 0.1059 0.3122 ( 2900 PWs) bands (ev): -4.8208 -4.8208 -4.8208 -4.8208 -1.1639 -1.1639 -1.1639 -1.1639 3.9759 3.9759 3.9760 3.9760 6.1687 6.1687 6.1687 6.1687 6.9507 6.9507 6.9508 6.9508 7.5413 7.5413 7.5414 7.5414 8.3534 8.3534 8.3536 8.3536 9.9020 9.9020 9.9022 9.9022 10.1928 10.1928 10.1931 10.1931 10.6587 10.6587 10.6591 10.6591 12.3253 12.3253 12.3254 12.3254 13.5128 13.5128 13.5129 13.5129 k = 0.0000 0.0953 0.3122 ( 2910 PWs) bands (ev): -4.8393 -4.8393 -4.8392 -4.8392 -1.1134 -1.1134 -1.1134 -1.1134 3.9567 3.9567 3.9567 3.9567 6.1320 6.1320 6.1321 6.1321 6.9736 6.9736 6.9737 6.9737 7.5431 7.5431 7.5431 7.5431 8.3112 8.3112 8.3114 8.3114 9.9131 9.9131 9.9134 9.9134 10.1926 10.1926 10.1930 10.1930 10.6653 10.6653 10.6657 10.6657 12.3018 12.3018 12.3019 12.3019 13.4955 13.4955 13.4956 13.4956 k = 0.0000 0.0847 0.3122 ( 2910 PWs) bands (ev): -4.8559 -4.8559 -4.8558 -4.8558 -1.0669 -1.0669 -1.0668 -1.0668 3.9392 3.9392 3.9392 3.9392 6.0953 6.0953 6.0954 6.0954 6.9956 6.9956 6.9957 6.9957 7.5480 7.5480 7.5481 7.5481 8.2718 8.2718 8.2719 8.2719 9.9233 9.9233 9.9236 9.9236 10.1930 10.1930 10.1933 10.1933 10.6711 10.6711 10.6715 10.6715 12.2785 12.2785 12.2787 12.2787 13.4802 13.4802 13.4804 13.4804 k = 0.0000 0.0741 0.3122 ( 2918 PWs) bands (ev): -4.8706 -4.8706 -4.8706 -4.8706 -1.0248 -1.0248 -1.0248 -1.0248 3.9235 3.9235 3.9236 3.9236 6.0599 6.0599 6.0600 6.0600 7.0165 7.0165 7.0166 7.0166 7.5550 7.5550 7.5550 7.5550 8.2355 8.2355 8.2356 8.2356 9.9323 9.9323 9.9326 9.9326 10.1938 10.1938 10.1942 10.1942 10.6760 10.6760 10.6764 10.6764 12.2562 12.2562 12.2563 12.2563 13.4671 13.4671 13.4673 13.4673 k = 0.0000 0.0635 0.3122 ( 2910 PWs) bands (ev): -4.8834 -4.8834 -4.8834 -4.8834 -0.9875 -0.9875 -0.9875 -0.9875 3.9098 3.9098 3.9098 3.9098 6.0269 6.0269 6.0270 6.0270 7.0359 7.0359 7.0360 7.0360 7.5629 7.5629 7.5630 7.5630 8.2028 8.2028 8.2030 8.2030 9.9401 9.9401 9.9403 9.9403 10.1952 10.1952 10.1955 10.1955 10.6803 10.6803 10.6807 10.6807 12.2353 12.2353 12.2355 12.2355 13.4559 13.4559 13.4561 13.4561 k = 0.0000 0.0529 0.3122 ( 2914 PWs) bands (ev): -4.8943 -4.8943 -4.8943 -4.8943 -0.9553 -0.9553 -0.9553 -0.9553 3.8980 3.8980 3.8981 3.8981 5.9974 5.9974 5.9975 5.9975 7.0533 7.0533 7.0534 7.0534 7.5710 7.5710 7.5710 7.5710 8.1740 8.1740 8.1742 8.1742 9.9465 9.9465 9.9468 9.9468 10.1968 10.1968 10.1971 10.1971 10.6837 10.6837 10.6841 10.6841 12.2165 12.2165 12.2167 12.2167 13.4467 13.4467 13.4469 13.4469 k = 0.0000 0.0424 0.3122 ( 2914 PWs) bands (ev): -4.9032 -4.9032 -4.9032 -4.9032 -0.9285 -0.9285 -0.9285 -0.9285 3.8883 3.8883 3.8883 3.8883 5.9722 5.9722 5.9722 5.9722 7.0684 7.0684 7.0685 7.0685 7.5784 7.5784 7.5785 7.5785 8.1496 8.1496 8.1498 8.1498 9.9516 9.9516 9.9519 9.9519 10.1985 10.1985 10.1989 10.1989 10.6865 10.6865 10.6869 10.6869 12.2002 12.2002 12.2004 12.2004 13.4393 13.4393 13.4395 13.4395 k = 0.0000 0.0318 0.3122 ( 2920 PWs) bands (ev): -4.9102 -4.9102 -4.9102 -4.9102 -0.9074 -0.9074 -0.9074 -0.9074 3.8806 3.8806 3.8807 3.8807 5.9519 5.9519 5.9520 5.9520 7.0807 7.0807 7.0808 7.0808 7.5848 7.5848 7.5848 7.5848 8.1301 8.1301 8.1303 8.1303 9.9556 9.9556 9.9559 9.9559 10.2002 10.2002 10.2005 10.2005 10.6887 10.6887 10.6891 10.6891 12.1870 12.1870 12.1873 12.1873 13.4335 13.4335 13.4338 13.4338 k = 0.0000 0.0212 0.3122 ( 2916 PWs) bands (ev): -4.9152 -4.9152 -4.9152 -4.9152 -0.8922 -0.8922 -0.8922 -0.8922 3.8752 3.8752 3.8752 3.8752 5.9371 5.9371 5.9372 5.9372 7.0898 7.0898 7.0899 7.0899 7.5896 7.5896 7.5896 7.5896 8.1158 8.1158 8.1160 8.1160 9.9583 9.9583 9.9586 9.9586 10.2016 10.2016 10.2019 10.2019 10.6902 10.6902 10.6906 10.6906 12.1773 12.1773 12.1776 12.1776 13.4295 13.4295 13.4298 13.4298 k = 0.0000 0.0106 0.3122 ( 2914 PWs) bands (ev): -4.9182 -4.9182 -4.9182 -4.9182 -0.8830 -0.8830 -0.8830 -0.8830 3.8719 3.8719 3.8719 3.8719 5.9280 5.9280 5.9281 5.9281 7.0954 7.0954 7.0955 7.0955 7.5926 7.5926 7.5926 7.5926 8.1071 8.1071 8.1073 8.1073 9.9600 9.9600 9.9603 9.9603 10.2025 10.2025 10.2028 10.2028 10.6911 10.6911 10.6915 10.6915 12.1714 12.1714 12.1717 12.1717 13.4271 13.4271 13.4274 13.4274 k = 0.0000 0.0000 0.3122 ( 2918 PWs) bands (ev): -4.9192 -4.9192 -4.9192 -4.9192 -0.8799 -0.8799 -0.8799 -0.8799 3.8707 3.8707 3.8708 3.8708 5.9250 5.9250 5.9251 5.9251 7.0972 7.0972 7.0974 7.0974 7.5936 7.5936 7.5936 7.5936 8.1042 8.1042 8.1043 8.1043 9.9605 9.9605 9.9608 9.9608 10.2028 10.2028 10.2031 10.2031 10.6914 10.6914 10.6918 10.6918 12.1694 12.1694 12.1696 12.1696 13.4263 13.4263 13.4266 13.4266 k = 0.0000 0.3812-0.0000 ( 2918 PWs) bands (ev): -4.4426 -4.4426 -4.4426 -4.4426 -1.8750 -1.8750 -1.8750 -1.8750 3.3292 3.3292 3.3292 3.3292 6.6177 6.6177 6.6179 6.6179 7.2112 7.2112 7.2113 7.2113 8.0993 8.0993 8.0994 8.0994 9.0099 9.0099 9.0100 9.0100 9.8267 9.8267 9.8270 9.8270 10.3595 10.3595 10.3599 10.3599 10.9301 10.9301 10.9303 10.9303 12.7537 12.7537 12.7540 12.7540 12.9891 12.9891 12.9892 12.9892 k = 0.0000 0.3812 0.0108 ( 2898 PWs) bands (ev): -4.4418 -4.4418 -4.4418 -4.4418 -1.8769 -1.8769 -1.8769 -1.8769 3.3322 3.3322 3.3322 3.3322 6.6176 6.6176 6.6178 6.6178 7.2056 7.2056 7.2057 7.2057 8.1052 8.1052 8.1053 8.1053 9.0110 9.0110 9.0112 9.0112 9.8249 9.8249 9.8252 9.8252 10.3588 10.3588 10.3592 10.3592 10.9283 10.9283 10.9286 10.9286 12.7544 12.7544 12.7546 12.7546 12.9889 12.9889 12.9890 12.9890 k = 0.0000 0.3812 0.0215 ( 2890 PWs) bands (ev): -4.4396 -4.4396 -4.4396 -4.4396 -1.8826 -1.8826 -1.8826 -1.8826 3.3410 3.3410 3.3410 3.3410 6.6171 6.6171 6.6173 6.6173 7.1891 7.1891 7.1893 7.1893 8.1223 8.1223 8.1224 8.1224 9.0143 9.0143 9.0144 9.0144 9.8196 9.8196 9.8199 9.8199 10.3563 10.3563 10.3567 10.3567 10.9228 10.9228 10.9231 10.9231 12.7562 12.7562 12.7565 12.7565 12.9883 12.9883 12.9884 12.9884 k = 0.0000 0.3812 0.0323 ( 2892 PWs) bands (ev): -4.4359 -4.4359 -4.4359 -4.4359 -1.8921 -1.8921 -1.8920 -1.8920 3.3557 3.3557 3.3557 3.3557 6.6163 6.6163 6.6165 6.6165 7.1629 7.1629 7.1630 7.1630 8.1495 8.1495 8.1496 8.1496 9.0196 9.0196 9.0197 9.0197 9.8107 9.8107 9.8110 9.8110 10.3521 10.3521 10.3526 10.3526 10.9138 10.9138 10.9140 10.9140 12.7591 12.7591 12.7594 12.7594 12.9868 12.9868 12.9869 12.9869 k = 0.0000 0.3812 0.0431 ( 2900 PWs) bands (ev): -4.4307 -4.4307 -4.4307 -4.4307 -1.9052 -1.9052 -1.9051 -1.9051 3.3761 3.3761 3.3761 3.3761 6.6152 6.6152 6.6153 6.6153 7.1283 7.1283 7.1284 7.1284 8.1853 8.1853 8.1854 8.1854 9.0270 9.0270 9.0271 9.0271 9.7984 9.7984 9.7986 9.7986 10.3465 10.3465 10.3469 10.3469 10.9012 10.9012 10.9014 10.9014 12.7631 12.7631 12.7634 12.7634 12.9839 12.9839 12.9840 12.9840 k = 0.0000 0.3812 0.0538 ( 2896 PWs) bands (ev): -4.4241 -4.4241 -4.4241 -4.4241 -1.9217 -1.9217 -1.9216 -1.9216 3.4020 3.4020 3.4020 3.4020 6.6138 6.6138 6.6139 6.6139 7.0870 7.0870 7.0871 7.0871 8.2283 8.2283 8.2284 8.2284 9.0365 9.0365 9.0367 9.0367 9.7827 9.7827 9.7830 9.7830 10.3397 10.3397 10.3401 10.3401 10.8852 10.8852 10.8855 10.8855 12.7681 12.7681 12.7683 12.7683 12.9792 12.9792 12.9793 12.9793 k = 0.0000 0.3812 0.0646 ( 2898 PWs) bands (ev): -4.4162 -4.4162 -4.4161 -4.4161 -1.9415 -1.9415 -1.9414 -1.9414 3.4333 3.4333 3.4333 3.4333 6.6121 6.6121 6.6123 6.6123 7.0401 7.0401 7.0402 7.0402 8.2770 8.2770 8.2771 8.2771 9.0480 9.0480 9.0482 9.0482 9.7640 9.7640 9.7643 9.7643 10.3316 10.3316 10.3321 10.3321 10.8661 10.8661 10.8664 10.8664 12.7740 12.7740 12.7742 12.7742 12.9719 12.9719 12.9720 12.9720 k = 0.0000 0.3812 0.0754 ( 2894 PWs) bands (ev): -4.4068 -4.4068 -4.4068 -4.4068 -1.9643 -1.9643 -1.9643 -1.9643 3.4697 3.4697 3.4697 3.4697 6.6102 6.6102 6.6103 6.6103 6.9889 6.9889 6.9890 6.9890 8.3302 8.3302 8.3303 8.3303 9.0616 9.0616 9.0617 9.0617 9.7424 9.7424 9.7427 9.7427 10.3227 10.3227 10.3231 10.3231 10.8439 10.8439 10.8442 10.8442 12.7806 12.7806 12.7809 12.7809 12.9614 12.9614 12.9616 12.9616 k = 0.0000 0.3812 0.0861 ( 2894 PWs) bands (ev): -4.3962 -4.3962 -4.3962 -4.3962 -1.9899 -1.9899 -1.9899 -1.9899 3.5109 3.5109 3.5109 3.5109 6.6080 6.6080 6.6082 6.6082 6.9342 6.9342 6.9343 6.9343 8.3870 8.3870 8.3871 8.3871 9.0771 9.0771 9.0772 9.0772 9.7182 9.7182 9.7184 9.7184 10.3129 10.3129 10.3133 10.3133 10.8189 10.8189 10.8192 10.8192 12.7879 12.7879 12.7881 12.7881 12.9473 12.9473 12.9475 12.9475 k = 0.0000 0.3812 0.0969 ( 2890 PWs) bands (ev): -4.3844 -4.3844 -4.3844 -4.3844 -2.0180 -2.0180 -2.0179 -2.0179 3.5567 3.5567 3.5567 3.5567 6.6056 6.6056 6.6058 6.6058 6.8767 6.8767 6.8768 6.8768 8.4466 8.4466 8.4466 8.4466 9.0945 9.0945 9.0946 9.0946 9.6917 9.6917 9.6920 9.6920 10.3024 10.3024 10.3028 10.3028 10.7913 10.7913 10.7916 10.7916 12.7956 12.7956 12.7958 12.7958 12.9295 12.9295 12.9296 12.9296 k = 0.0000 0.3812 0.1077 ( 2888 PWs) bands (ev): -4.3714 -4.3714 -4.3714 -4.3714 -2.0482 -2.0482 -2.0482 -2.0482 3.6067 3.6067 3.6067 3.6067 6.6031 6.6031 6.6033 6.6033 6.8168 6.8168 6.8169 6.8169 8.5082 8.5082 8.5083 8.5083 9.1137 9.1137 9.1138 9.1138 9.6634 9.6634 9.6637 9.6637 10.2913 10.2913 10.2917 10.2917 10.7613 10.7613 10.7615 10.7615 12.8036 12.8036 12.8038 12.8038 12.9078 12.9078 12.9080 12.9080 k = 0.0000 0.3812 0.1184 ( 2888 PWs) bands (ev): -4.3574 -4.3574 -4.3574 -4.3574 -2.0803 -2.0803 -2.0803 -2.0803 3.6606 3.6606 3.6606 3.6606 6.6004 6.6004 6.6006 6.6006 6.7550 6.7550 6.7551 6.7551 8.5716 8.5716 8.5716 8.5716 9.1346 9.1346 9.1347 9.1347 9.6337 9.6337 9.6340 9.6340 10.2794 10.2794 10.2798 10.2798 10.7291 10.7291 10.7294 10.7294 12.8113 12.8113 12.8115 12.8115 12.8829 12.8829 12.8830 12.8830 k = 0.0000 0.3812 0.1292 ( 2892 PWs) bands (ev): -4.3425 -4.3425 -4.3425 -4.3425 -2.1139 -2.1139 -2.1138 -2.1138 3.7180 3.7180 3.7180 3.7180 6.5976 6.5976 6.5978 6.5978 6.6917 6.6917 6.6918 6.6918 8.6360 8.6360 8.6361 8.6361 9.1571 9.1571 9.1573 9.1573 9.6031 9.6031 9.6034 9.6034 10.2670 10.2670 10.2674 10.2674 10.6950 10.6950 10.6952 10.6952 12.8171 12.8171 12.8173 12.8173 12.8565 12.8565 12.8566 12.8566 k = 0.0000 0.3812 0.1400 ( 2890 PWs) bands (ev): -4.3267 -4.3267 -4.3267 -4.3267 -2.1486 -2.1486 -2.1486 -2.1486 3.7786 3.7786 3.7786 3.7786 6.5944 6.5944 6.5945 6.5945 6.6273 6.6273 6.6274 6.6274 8.7013 8.7013 8.7013 8.7013 9.1812 9.1812 9.1814 9.1814 9.5721 9.5721 9.5724 9.5724 10.2537 10.2537 10.2541 10.2541 10.6592 10.6592 10.6595 10.6595 12.8096 12.8096 12.8097 12.8097 12.8406 12.8406 12.8407 12.8407 k = 0.0000 0.3812 0.1507 ( 2890 PWs) bands (ev): -4.3102 -4.3102 -4.3102 -4.3102 -2.1841 -2.1841 -2.1841 -2.1841 3.8420 3.8420 3.8420 3.8420 6.5602 6.5602 6.5603 6.5603 6.5928 6.5928 6.5929 6.5929 8.7668 8.7668 8.7669 8.7669 9.2068 9.2068 9.2069 9.2069 9.5413 9.5413 9.5415 9.5415 10.2396 10.2396 10.2400 10.2400 10.6220 10.6220 10.6223 10.6223 12.7802 12.7802 12.7804 12.7804 12.8439 12.8439 12.8441 12.8441 k = 0.0000 0.3812 0.1615 ( 2890 PWs) bands (ev): -4.2932 -4.2932 -4.2932 -4.2932 -2.2200 -2.2200 -2.2200 -2.2200 3.9077 3.9077 3.9077 3.9077 6.4938 6.4938 6.4939 6.4939 6.5895 6.5895 6.5896 6.5896 8.8322 8.8322 8.8322 8.8322 9.2336 9.2336 9.2337 9.2337 9.5111 9.5111 9.5114 9.5114 10.2246 10.2246 10.2249 10.2249 10.5837 10.5837 10.5839 10.5839 12.7449 12.7449 12.7451 12.7451 12.8512 12.8512 12.8514 12.8514 k = 0.0000 0.3812 0.1723 ( 2890 PWs) bands (ev): -4.2758 -4.2758 -4.2758 -4.2758 -2.2560 -2.2560 -2.2559 -2.2559 3.9753 3.9753 3.9753 3.9753 6.4264 6.4264 6.4265 6.4265 6.5866 6.5866 6.5867 6.5867 8.8969 8.8969 8.8969 8.8969 9.2616 9.2616 9.2617 9.2617 9.4825 9.4825 9.4827 9.4827 10.2084 10.2084 10.2088 10.2088 10.5445 10.5445 10.5447 10.5447 12.7075 12.7075 12.7078 12.7078 12.8590 12.8590 12.8592 12.8592 k = 0.0000 0.3812 0.1830 ( 2888 PWs) bands (ev): -4.2582 -4.2582 -4.2582 -4.2582 -2.2915 -2.2915 -2.2915 -2.2915 4.0444 4.0444 4.0444 4.0444 6.3586 6.3586 6.3587 6.3587 6.5838 6.5838 6.5839 6.5839 8.9602 8.9602 8.9602 8.9602 9.2904 9.2904 9.2905 9.2905 9.4561 9.4561 9.4563 9.4563 10.1910 10.1910 10.1914 10.1914 10.5047 10.5047 10.5049 10.5049 12.6693 12.6693 12.6695 12.6695 12.8668 12.8668 12.8670 12.8670 k = 0.0000 0.3812 0.1938 ( 2888 PWs) bands (ev): -4.2406 -4.2406 -4.2406 -4.2406 -2.3264 -2.3264 -2.3263 -2.3263 4.1144 4.1144 4.1144 4.1144 6.2906 6.2906 6.2907 6.2907 6.5811 6.5811 6.5813 6.5813 9.0210 9.0210 9.0211 9.0211 9.3198 9.3198 9.3198 9.3198 9.4333 9.4333 9.4335 9.4335 10.1722 10.1722 10.1726 10.1726 10.4646 10.4646 10.4649 10.4649 12.6310 12.6310 12.6312 12.6312 12.8743 12.8743 12.8745 12.8745 k = 0.0000 0.3812 0.2045 ( 2880 PWs) bands (ev): -4.2232 -4.2232 -4.2232 -4.2232 -2.3600 -2.3600 -2.3600 -2.3600 4.1848 4.1848 4.1848 4.1848 6.2228 6.2228 6.2229 6.2229 6.5786 6.5786 6.5787 6.5787 9.0778 9.0778 9.0778 9.0778 9.3486 9.3486 9.3487 9.3487 9.4165 9.4165 9.4167 9.4167 10.1520 10.1520 10.1523 10.1523 10.4246 10.4246 10.4248 10.4248 12.5933 12.5933 12.5936 12.5936 12.8813 12.8813 12.8816 12.8816 k = 0.0000 0.3812 0.2153 ( 2876 PWs) bands (ev): -4.2064 -4.2064 -4.2064 -4.2064 -2.3921 -2.3921 -2.3921 -2.3921 4.2548 4.2548 4.2549 4.2549 6.1558 6.1558 6.1558 6.1558 6.5762 6.5762 6.5763 6.5763 9.1277 9.1277 9.1278 9.1278 9.3733 9.3733 9.3734 9.3734 9.4118 9.4118 9.4119 9.4119 10.1301 10.1301 10.1304 10.1304 10.3850 10.3850 10.3853 10.3853 12.5569 12.5569 12.5572 12.5572 12.8879 12.8879 12.8881 12.8881 k = 0.0000 0.3812 0.2261 ( 2880 PWs) bands (ev): -4.1903 -4.1903 -4.1902 -4.1902 -2.4223 -2.4223 -2.4222 -2.4222 4.3238 4.3238 4.3238 4.3238 6.0900 6.0900 6.0900 6.0900 6.5740 6.5740 6.5741 6.5741 9.1667 9.1667 9.1669 9.1669 9.3883 9.3883 9.3884 9.3884 9.4281 9.4281 9.4282 9.4282 10.1065 10.1065 10.1068 10.1068 10.3462 10.3462 10.3465 10.3465 12.5224 12.5224 12.5227 12.5227 12.8939 12.8939 12.8942 12.8942 k = 0.0000 0.3812 0.2368 ( 2882 PWs) bands (ev): -4.1751 -4.1751 -4.1751 -4.1751 -2.4501 -2.4501 -2.4500 -2.4500 4.3908 4.3908 4.3908 4.3908 6.0262 6.0262 6.0262 6.0262 6.5719 6.5719 6.5721 6.5721 9.1912 9.1912 9.1914 9.1914 9.4057 9.4057 9.4057 9.4057 9.4567 9.4567 9.4568 9.4568 10.0812 10.0812 10.0816 10.0816 10.3088 10.3088 10.3091 10.3091 12.4903 12.4903 12.4906 12.4906 12.8994 12.8994 12.8996 12.8996 k = 0.0000 0.3812 0.2476 ( 2888 PWs) bands (ev): -4.1613 -4.1613 -4.1613 -4.1613 -2.4751 -2.4751 -2.4751 -2.4751 4.4546 4.4546 4.4547 4.4547 5.9654 5.9654 5.9655 5.9655 6.5702 6.5702 6.5703 6.5703 9.2014 9.2014 9.2017 9.2017 9.4327 9.4327 9.4327 9.4327 9.4888 9.4888 9.4889 9.4889 10.0544 10.0544 10.0547 10.0547 10.2733 10.2733 10.2736 10.2736 12.4612 12.4612 12.4615 12.4615 12.9041 12.9041 12.9043 12.9043 k = 0.0000 0.3812 0.2584 ( 2884 PWs) bands (ev): -4.1490 -4.1490 -4.1490 -4.1490 -2.4971 -2.4971 -2.4970 -2.4970 4.5139 4.5139 4.5140 4.5140 5.9089 5.9089 5.9090 5.9090 6.5686 6.5686 6.5688 6.5688 9.2025 9.2025 9.2028 9.2028 9.4647 9.4647 9.4647 9.4647 9.5231 9.5231 9.5231 9.5231 10.0263 10.0263 10.0266 10.0266 10.2406 10.2406 10.2409 10.2409 12.4357 12.4357 12.4360 12.4360 12.9082 12.9082 12.9084 12.9084 k = 0.0000 0.3812 0.2691 ( 2888 PWs) bands (ev): -4.1385 -4.1385 -4.1385 -4.1385 -2.5155 -2.5155 -2.5155 -2.5155 4.5670 4.5670 4.5671 4.5671 5.8583 5.8583 5.8583 5.8583 6.5674 6.5674 6.5675 6.5675 9.1992 9.1992 9.1995 9.1995 9.4954 9.4954 9.4954 9.4954 9.5590 9.5590 9.5590 9.5590 9.9976 9.9976 9.9979 9.9979 10.2116 10.2116 10.2118 10.2118 12.4142 12.4142 12.4145 12.4145 12.9116 12.9116 12.9118 12.9118 k = 0.0000 0.3812 0.2799 ( 2884 PWs) bands (ev): -4.1301 -4.1301 -4.1301 -4.1301 -2.5303 -2.5303 -2.5302 -2.5302 4.6119 4.6119 4.6120 4.6120 5.8154 5.8154 5.8155 5.8155 6.5664 6.5664 6.5665 6.5665 9.1947 9.1947 9.1950 9.1950 9.5209 9.5209 9.5210 9.5210 9.5950 9.5950 9.5950 9.5950 9.9695 9.9695 9.9698 9.9698 10.1872 10.1872 10.1874 10.1874 12.3971 12.3971 12.3974 12.3974 12.9142 12.9142 12.9144 12.9144 k = 0.0000 0.3812 0.2907 ( 2884 PWs) bands (ev): -4.1239 -4.1239 -4.1239 -4.1239 -2.5410 -2.5410 -2.5409 -2.5409 4.6463 4.6463 4.6464 4.6464 5.7825 5.7825 5.7826 5.7826 6.5656 6.5656 6.5658 6.5658 9.1907 9.1907 9.1910 9.1910 9.5399 9.5399 9.5400 9.5400 9.6272 9.6272 9.6273 9.6273 9.9442 9.9442 9.9445 9.9445 10.1686 10.1686 10.1689 10.1689 12.3846 12.3846 12.3849 12.3849 12.9161 12.9161 12.9163 12.9163 k = 0.0000 0.3812 0.3014 ( 2880 PWs) bands (ev): -4.1202 -4.1202 -4.1202 -4.1202 -2.5475 -2.5475 -2.5474 -2.5474 4.6681 4.6681 4.6682 4.6682 5.7617 5.7617 5.7617 5.7617 6.5652 6.5652 6.5654 6.5654 9.1880 9.1880 9.1883 9.1883 9.5516 9.5516 9.5517 9.5517 9.6506 9.6506 9.6506 9.6506 9.9256 9.9256 9.9260 9.9260 10.1569 10.1569 10.1572 10.1572 12.3770 12.3770 12.3773 12.3773 12.9173 12.9173 12.9175 12.9175 k = 0.0000 0.3812 0.3122 ( 2872 PWs) bands (ev): -4.1189 -4.1189 -4.1189 -4.1189 -2.5497 -2.5497 -2.5496 -2.5496 4.6755 4.6755 4.6756 4.6756 5.7546 5.7546 5.7546 5.7546 6.5651 6.5651 6.5652 6.5652 9.1871 9.1871 9.1875 9.1875 9.5556 9.5556 9.5556 9.5556 9.6593 9.6593 9.6593 9.6593 9.9187 9.9187 9.9190 9.9190 10.1530 10.1530 10.1533 10.1533 12.3744 12.3744 12.3747 12.3747 12.9177 12.9177 12.9179 12.9179 k = 0.5000-0.0000 0.3122 ( 2916 PWs) bands (ev): -4.0106 -4.0106 -4.0089 -4.0089 -1.1487 -1.1487 -1.1475 -1.1475 3.7837 3.7837 3.7938 3.7938 5.2446 5.2446 5.2547 5.2547 6.5147 6.5147 6.5291 6.5291 7.3319 7.3319 7.3433 7.3433 8.2342 8.2342 8.2454 8.2454 9.2334 9.2334 9.2633 9.2633 9.6073 9.6073 9.6431 9.6431 10.6482 10.6482 10.6680 10.6680 11.8652 11.8652 11.9035 11.9035 13.1455 13.1455 13.1658 13.1658 k = 0.5000-0.0000 0.3014 ( 2916 PWs) bands (ev): -4.0110 -4.0110 -4.0094 -4.0094 -1.1478 -1.1478 -1.1466 -1.1466 3.7844 3.7844 3.7945 3.7945 5.2442 5.2442 5.2543 5.2543 6.5140 6.5140 6.5284 6.5284 7.3337 7.3337 7.3451 7.3451 8.2260 8.2260 8.2370 8.2370 9.2347 9.2347 9.2647 9.2647 9.6123 9.6123 9.6480 9.6480 10.6482 10.6482 10.6679 10.6679 11.8666 11.8666 11.9048 11.9048 13.1448 13.1448 13.1651 13.1651 k = 0.5000-0.0000 0.2907 ( 2912 PWs) bands (ev): -4.0124 -4.0124 -4.0108 -4.0108 -1.1448 -1.1448 -1.1436 -1.1436 3.7864 3.7864 3.7964 3.7964 5.2431 5.2431 5.2533 5.2533 6.5117 6.5117 6.5264 6.5264 7.3392 7.3392 7.3504 7.3504 8.2019 8.2019 8.2124 8.2124 9.2385 9.2385 9.2686 9.2686 9.6270 9.6270 9.6623 9.6623 10.6480 10.6480 10.6678 10.6678 11.8708 11.8708 11.9087 11.9087 13.1429 13.1429 13.1632 13.1632 k = 0.5000-0.0000 0.2799 ( 2910 PWs) bands (ev): -4.0147 -4.0147 -4.0131 -4.0131 -1.1399 -1.1399 -1.1388 -1.1388 3.7897 3.7897 3.7996 3.7996 5.2413 5.2413 5.2518 5.2518 6.5081 6.5081 6.5231 6.5231 7.3480 7.3480 7.3590 7.3590 8.1636 8.1636 8.1734 8.1734 9.2447 9.2447 9.2749 9.2749 9.6501 9.6501 9.6848 9.6848 10.6479 10.6479 10.6676 10.6676 11.8778 11.8778 11.9153 11.9153 13.1397 13.1397 13.1600 13.1600 k = 0.5000-0.0000 0.2691 ( 2906 PWs) bands (ev): -4.0178 -4.0178 -4.0162 -4.0162 -1.1332 -1.1332 -1.1321 -1.1321 3.7943 3.7943 3.8040 3.8040 5.2390 5.2390 5.2497 5.2497 6.5031 6.5031 6.5184 6.5184 7.3598 7.3598 7.3704 7.3704 8.1132 8.1132 8.1222 8.1222 9.2528 9.2528 9.2832 9.2832 9.6800 9.6800 9.7139 9.7139 10.6476 10.6476 10.6672 10.6672 11.8875 11.8875 11.9243 11.9243 13.1351 13.1351 13.1554 13.1554 k = 0.5000-0.0000 0.2584 ( 2898 PWs) bands (ev): -4.0217 -4.0217 -4.0201 -4.0201 -1.1247 -1.1247 -1.1236 -1.1236 3.8002 3.8002 3.8097 3.8097 5.2361 5.2361 5.2472 5.2472 6.4969 6.4969 6.5126 6.5126 7.3736 7.3736 7.3839 7.3839 8.0536 8.0536 8.0616 8.0616 9.2628 9.2628 9.2933 9.2933 9.7148 9.7148 9.7477 9.7477 10.6472 10.6472 10.6668 10.6668 11.8998 11.8998 11.9358 11.9358 13.1293 13.1293 13.1495 13.1495 k = 0.5000-0.0000 0.2476 ( 2902 PWs) bands (ev): -4.0264 -4.0264 -4.0249 -4.0249 -1.1146 -1.1146 -1.1135 -1.1135 3.8074 3.8074 3.8166 3.8166 5.2330 5.2330 5.2444 5.2444 6.4894 6.4894 6.5057 6.5057 7.3883 7.3883 7.3983 7.3983 7.9877 7.9877 7.9949 7.9949 9.2742 9.2742 9.3049 9.3049 9.7525 9.7525 9.7843 9.7843 10.6467 10.6467 10.6661 10.6661 11.9145 11.9145 11.9496 11.9496 13.1220 13.1220 13.1423 13.1423 k = 0.5000-0.0000 0.2368 ( 2892 PWs) bands (ev): -4.0317 -4.0317 -4.0303 -4.0303 -1.1028 -1.1028 -1.1018 -1.1018 3.8158 3.8158 3.8247 3.8247 5.2296 5.2296 5.2415 5.2415 6.4808 6.4808 6.4976 6.4976 7.4021 7.4021 7.4117 7.4117 7.9191 7.9191 7.9254 7.9254 9.2873 9.2873 9.3179 9.3179 9.7916 9.7916 9.8224 9.8224 10.6463 10.6463 10.6655 10.6655 11.9316 11.9316 11.9656 11.9656 13.1134 13.1134 13.1337 13.1337 k = 0.5000-0.0000 0.2261 ( 2888 PWs) bands (ev): -4.0377 -4.0377 -4.0363 -4.0363 -1.0897 -1.0897 -1.0887 -1.0887 3.8253 3.8253 3.8339 3.8339 5.2263 5.2263 5.2387 5.2387 6.4711 6.4711 6.4885 6.4885 7.4117 7.4117 7.4209 7.4209 7.8525 7.8525 7.8580 7.8580 9.3017 9.3017 9.3323 9.3323 9.8305 9.8305 9.8603 9.8603 10.6456 10.6456 10.6647 10.6647 11.9508 11.9508 11.9836 11.9836 13.1035 13.1035 13.1238 13.1238 k = 0.5000-0.0000 0.2153 ( 2884 PWs) bands (ev): -4.0442 -4.0442 -4.0428 -4.0428 -1.0754 -1.0754 -1.0744 -1.0744 3.8360 3.8360 3.8442 3.8442 5.2232 5.2232 5.2362 5.2362 6.4603 6.4603 6.4783 6.4783 7.4116 7.4116 7.4204 7.4204 7.7944 7.7944 7.7991 7.7991 9.3175 9.3175 9.3480 9.3480 9.8683 9.8683 9.8970 9.8970 10.6449 10.6449 10.6637 10.6637 11.9720 11.9720 12.0034 12.0034 13.0921 13.0921 13.1125 13.1125 k = 0.5000-0.0000 0.2045 ( 2888 PWs) bands (ev): -4.0512 -4.0512 -4.0498 -4.0498 -1.0600 -1.0600 -1.0590 -1.0590 3.8478 3.8478 3.8555 3.8555 5.2206 5.2206 5.2342 5.2342 6.4482 6.4482 6.4669 6.4669 7.3947 7.3947 7.4029 7.4029 7.7530 7.7530 7.7572 7.7572 9.3344 9.3344 9.3647 9.3647 9.9042 9.9042 9.9318 9.9318 10.6442 10.6442 10.6627 10.6627 11.9949 11.9949 12.0249 12.0249 13.0793 13.0793 13.0998 13.0998 k = 0.5000-0.0000 0.1938 ( 2898 PWs) bands (ev): -4.0585 -4.0585 -4.0572 -4.0572 -1.0437 -1.0437 -1.0428 -1.0428 3.8605 3.8605 3.8678 3.8678 5.2187 5.2187 5.2329 5.2329 6.4347 6.4347 6.4541 6.4541 7.3561 7.3561 7.3634 7.3634 7.7340 7.7340 7.7379 7.7379 9.3524 9.3524 9.3826 9.3826 9.9375 9.9375 9.9641 9.9641 10.6433 10.6433 10.6615 10.6615 12.0192 12.0192 12.0477 12.0477 13.0651 13.0651 13.0857 13.0857 k = 0.5000-0.0000 0.1830 ( 2900 PWs) bands (ev): -4.0660 -4.0660 -4.0648 -4.0648 -1.0267 -1.0267 -1.0259 -1.0259 3.8742 3.8742 3.8810 3.8810 5.2178 5.2178 5.2327 5.2327 6.4196 6.4196 6.4396 6.4396 7.2983 7.2983 7.3046 7.3046 7.7357 7.7357 7.7395 7.7395 9.3715 9.3715 9.4013 9.4013 9.9680 9.9680 9.9935 9.9935 10.6424 10.6424 10.6602 10.6602 12.0449 12.0449 12.0718 12.0718 13.0494 13.0494 13.0702 13.0702 k = 0.5000-0.0000 0.1723 ( 2900 PWs) bands (ev): -4.0737 -4.0737 -4.0726 -4.0726 -1.0093 -1.0093 -1.0085 -1.0085 3.8886 3.8886 3.8949 3.8949 5.2181 5.2181 5.2337 5.2337 6.4023 6.4023 6.4231 6.4231 7.2286 7.2286 7.2340 7.2340 7.7517 7.7517 7.7553 7.7553 9.3914 9.3914 9.4209 9.4209 9.9953 9.9953 10.0198 10.0198 10.6415 10.6415 10.6588 10.6588 12.0717 12.0717 12.0969 12.0969 13.0324 13.0324 13.0533 13.0533 k = 0.5000-0.0000 0.1615 ( 2900 PWs) bands (ev): -4.0815 -4.0815 -4.0804 -4.0804 -0.9916 -0.9916 -0.9908 -0.9908 3.9037 3.9037 3.9094 3.9094 5.2200 5.2200 5.2363 5.2363 6.3825 6.3825 6.4041 6.4041 7.1536 7.1536 7.1580 7.1580 7.7761 7.7761 7.7796 7.7796 9.4120 9.4120 9.4411 9.4411 10.0194 10.0194 10.0428 10.0428 10.6405 10.6405 10.6572 10.6572 12.0992 12.0992 12.1229 12.1229 13.0139 13.0139 13.0351 13.0351 k = 0.5000-0.0000 0.1507 ( 2902 PWs) bands (ev): -4.0892 -4.0892 -4.0882 -4.0882 -0.9738 -0.9738 -0.9730 -0.9730 3.9193 3.9193 3.9244 3.9244 5.2237 5.2237 5.2407 5.2407 6.3594 6.3594 6.3817 6.3817 7.0777 7.0777 7.0812 7.0812 7.8055 7.8055 7.8087 7.8087 9.4332 9.4332 9.4617 9.4617 10.0401 10.0401 10.0625 10.0625 10.6395 10.6395 10.6556 10.6556 12.1274 12.1274 12.1495 12.1495 12.9941 12.9941 13.0154 13.0154 k = 0.5000-0.0000 0.1400 ( 2902 PWs) bands (ev): -4.0969 -4.0969 -4.0959 -4.0959 -0.9561 -0.9561 -0.9554 -0.9554 3.9352 3.9352 3.9398 3.9398 5.2295 5.2295 5.2472 5.2472 6.3321 6.3321 6.3553 6.3553 7.0043 7.0043 7.0069 7.0069 7.8375 7.8375 7.8405 7.8405 9.4547 9.4547 9.4825 9.4825 10.0578 10.0578 10.0792 10.0792 10.6384 10.6384 10.6539 10.6539 12.1561 12.1561 12.1766 12.1766 12.9730 12.9730 12.9944 12.9944 k = 0.5000-0.0000 0.1292 ( 2902 PWs) bands (ev): -4.1043 -4.1043 -4.1034 -4.1034 -0.9388 -0.9388 -0.9382 -0.9382 3.9512 3.9512 3.9552 3.9552 5.2377 5.2377 5.2562 5.2562 6.2998 6.2998 6.3237 6.3237 6.9356 6.9356 6.9374 6.9374 7.8707 7.8707 7.8734 7.8734 9.4763 9.4763 9.5034 9.5034 10.0724 10.0724 10.0928 10.0928 10.6374 10.6374 10.6521 10.6521 12.1850 12.1850 12.2041 12.2041 12.9505 12.9505 12.9721 12.9721 k = 0.5000-0.0000 0.1184 ( 2904 PWs) bands (ev): -4.1115 -4.1115 -4.1106 -4.1106 -0.9220 -0.9220 -0.9214 -0.9214 3.9671 3.9671 3.9706 3.9706 5.2487 5.2487 5.2678 5.2678 6.2617 6.2617 6.2863 6.2863 6.8735 6.8735 6.8746 6.8746 7.9042 7.9042 7.9066 7.9066 9.4979 9.4979 9.5240 9.5240 10.0843 10.0843 10.1035 10.1035 10.6363 10.6363 10.6502 10.6502 12.2141 12.2141 12.2319 12.2319 12.9269 12.9269 12.9485 12.9485 k = 0.5000-0.0000 0.1077 ( 2900 PWs) bands (ev): -4.1183 -4.1183 -4.1175 -4.1175 -0.9060 -0.9060 -0.9055 -0.9055 3.9827 3.9827 3.9857 3.9857 5.2626 5.2626 5.2824 5.2824 6.2174 6.2174 6.2424 6.2424 6.8193 6.8193 6.8199 6.8199 7.9371 7.9371 7.9392 7.9392 9.5192 9.5192 9.5441 9.5441 10.0935 10.0935 10.1117 10.1117 10.6354 10.6354 10.6483 10.6483 12.2433 12.2433 12.2598 12.2598 12.9021 12.9021 12.9237 12.9237 k = 0.5000-0.0000 0.0969 ( 2900 PWs) bands (ev): -4.1246 -4.1246 -4.1239 -4.1239 -0.8908 -0.8908 -0.8904 -0.8904 3.9978 3.9978 4.0003 4.0003 5.2799 5.2799 5.3003 5.3003 6.1670 6.1670 6.1922 6.1922 6.7735 6.7735 6.7737 6.7737 7.9687 7.9687 7.9706 7.9706 9.5400 9.5400 9.5635 9.5635 10.1006 10.1006 10.1175 10.1175 10.6344 10.6344 10.6463 10.6463 12.2724 12.2724 12.2878 12.2878 12.8764 12.8764 12.8977 12.8977 k = 0.5000-0.0000 0.0861 ( 2900 PWs) bands (ev): -4.1305 -4.1305 -4.1299 -4.1299 -0.8768 -0.8768 -0.8764 -0.8764 4.0121 4.0121 4.0141 4.0141 5.3006 5.3006 5.3216 5.3216 6.1111 6.1111 6.1364 6.1364 6.7358 6.7358 6.7359 6.7359 7.9987 7.9987 8.0003 8.0003 9.5599 9.5599 9.5818 9.5818 10.1056 10.1056 10.1212 10.1212 10.6335 10.6335 10.6444 10.6444 12.3013 12.3013 12.3158 12.3158 12.8498 12.8498 12.8707 12.8707 k = 0.5000-0.0000 0.0754 ( 2900 PWs) bands (ev): -4.1358 -4.1358 -4.1353 -4.1353 -0.8640 -0.8640 -0.8637 -0.8637 4.0254 4.0254 4.0270 4.0270 5.3251 5.3251 5.3467 5.3467 6.0511 6.0511 6.0763 6.0763 6.7055 6.7055 6.7056 6.7056 8.0263 8.0263 8.0277 8.0277 9.5787 9.5787 9.5988 9.5988 10.1090 10.1090 10.1232 10.1232 10.6327 10.6327 10.6425 10.6425 12.3300 12.3300 12.3436 12.3436 12.8227 12.8227 12.8429 12.8429 k = 0.5000-0.0000 0.0646 ( 2908 PWs) bands (ev): -4.1405 -4.1405 -4.1400 -4.1400 -0.8526 -0.8526 -0.8523 -0.8523 4.0374 4.0374 4.0386 4.0386 5.3535 5.3535 5.3755 5.3755 5.9884 5.9884 6.0133 6.0133 6.6817 6.6817 6.6818 6.6818 8.0513 8.0513 8.0525 8.0525 9.5961 9.5961 9.6141 9.6141 10.1111 10.1111 10.1238 10.1238 10.6321 10.6321 10.6406 10.6406 12.3582 12.3582 12.3710 12.3710 12.7954 12.7954 12.8146 12.8146 k = 0.5000-0.0000 0.0538 ( 2900 PWs) bands (ev): -4.1446 -4.1446 -4.1442 -4.1442 -0.8427 -0.8427 -0.8425 -0.8425 4.0479 4.0479 4.0488 4.0488 5.3859 5.3859 5.4082 5.4082 5.9243 5.9243 5.9490 5.9490 6.6633 6.6633 6.6635 6.6635 8.0732 8.0732 8.0741 8.0741 9.6118 9.6118 9.6274 9.6274 10.1124 10.1124 10.1234 10.1234 10.6316 10.6316 10.6388 10.6388 12.3857 12.3857 12.3978 12.3978 12.7684 12.7684 12.7864 12.7864 k = 0.5000-0.0000 0.0431 ( 2904 PWs) bands (ev): -4.1479 -4.1479 -4.1476 -4.1476 -0.8345 -0.8345 -0.8343 -0.8343 4.0569 4.0569 4.0575 4.0575 5.4223 5.4223 5.4448 5.4448 5.8604 5.8604 5.8847 5.8847 6.6494 6.6494 6.6496 6.6496 8.0916 8.0916 8.0924 8.0924 9.6255 9.6255 9.6384 9.6384 10.1131 10.1131 10.1221 10.1221 10.6313 10.6313 10.6372 10.6372 12.4121 12.4121 12.4232 12.4232 12.7425 12.7425 12.7588 12.7588 k = 0.5000-0.0000 0.0323 ( 2900 PWs) bands (ev): -4.1506 -4.1506 -4.1503 -4.1503 -0.8280 -0.8280 -0.8278 -0.8278 4.0640 4.0640 4.0644 4.0644 5.4625 5.4625 5.4851 5.4851 5.7979 5.7979 5.8217 5.8217 6.6392 6.6392 6.6395 6.6395 8.1063 8.1063 8.1068 8.1068 9.6370 9.6370 9.6469 9.6469 10.1136 10.1136 10.1205 10.1205 10.6312 10.6312 10.6357 10.6357 12.4366 12.4366 12.4463 12.4463 12.7191 12.7191 12.7329 12.7329 k = 0.5000-0.0000 0.0215 ( 2902 PWs) bands (ev): -4.1524 -4.1524 -4.1523 -4.1523 -0.8233 -0.8233 -0.8232 -0.8232 4.0691 4.0691 4.0694 4.0694 5.5059 5.5059 5.5280 5.5280 5.7386 5.7386 5.7614 5.7614 6.6324 6.6324 6.6326 6.6326 8.1170 8.1170 8.1173 8.1173 9.6459 9.6459 9.6527 9.6527 10.1140 10.1140 10.1188 10.1188 10.6313 10.6313 10.6344 10.6344 12.4577 12.4577 12.4654 12.4654 12.6998 12.6998 12.7103 12.7103 k = 0.5000-0.0000 0.0108 ( 2910 PWs) bands (ev): -4.1536 -4.1536 -4.1535 -4.1535 -0.8204 -0.8204 -0.8204 -0.8204 4.0723 4.0723 4.0724 4.0724 5.5506 5.5506 5.5697 5.5697 5.6868 5.6868 5.7063 5.7063 6.6284 6.6284 6.6286 6.6286 8.1235 8.1235 8.1237 8.1237 9.6520 9.6520 9.6554 9.6554 10.1147 10.1147 10.1171 10.1171 10.6317 10.6317 10.6332 10.6332 12.4734 12.4734 12.4778 12.4778 12.6875 12.6875 12.6934 12.6934 k = 0.5000-0.0000-0.0000 ( 2906 PWs) bands (ev): -4.1539 -4.1539 -4.1539 -4.1539 -0.8195 -0.8195 -0.8194 -0.8194 4.0734 4.0734 4.0734 4.0734 5.5851 5.5851 5.5851 5.5851 5.6682 5.6682 5.6682 5.6682 6.6271 6.6271 6.6273 6.6273 8.1257 8.1257 8.1258 8.1258 9.6551 9.6551 9.6553 9.6553 10.1155 10.1155 10.1159 10.1159 10.6321 10.6321 10.6326 10.6326 12.4805 12.4805 12.4809 12.4809 12.6850 12.6850 12.6853 12.6853 k = 0.5000 0.3812-0.0000 ( 2900 PWs) bands (ev): -3.7861 -3.7861 -3.7857 -3.7857 -1.4847 -1.4847 -1.4743 -1.4743 4.6890 4.6890 4.7065 4.7065 4.8469 4.8469 4.8561 4.8561 6.0730 6.0730 6.1126 6.1126 6.3673 6.3673 6.4148 6.4148 7.3704 7.3704 7.3769 7.3769 9.9321 9.9321 10.0094 10.0094 10.2492 10.2492 10.2855 10.2855 10.6840 10.6840 10.7071 10.7071 12.5313 12.5313 12.5345 12.5345 13.0343 13.0343 13.0613 13.0613 k = 0.5000 0.3812 0.0108 ( 2904 PWs) bands (ev): -3.7857 -3.7857 -3.7854 -3.7854 -1.4849 -1.4849 -1.4745 -1.4745 4.6758 4.6758 4.6924 4.6924 4.8527 4.8527 4.8625 4.8625 6.0733 6.0733 6.1128 6.1128 6.3769 6.3769 6.4242 6.4242 7.3713 7.3713 7.3779 7.3779 9.9328 9.9328 10.0101 10.0101 10.2483 10.2483 10.2846 10.2846 10.6839 10.6839 10.7070 10.7070 12.5314 12.5314 12.5345 12.5345 13.0338 13.0338 13.0606 13.0606 k = 0.5000 0.3812 0.0215 ( 2900 PWs) bands (ev): -3.7847 -3.7847 -3.7844 -3.7844 -1.4856 -1.4856 -1.4752 -1.4752 4.6422 4.6422 4.6572 4.6572 4.8640 4.8640 4.8747 4.8747 6.0759 6.0759 6.1151 6.1151 6.4041 6.4041 6.4506 6.4506 7.3742 7.3742 7.3807 7.3807 9.9350 9.9350 10.0121 10.0121 10.2458 10.2458 10.2818 10.2818 10.6838 10.6838 10.7070 10.7070 12.5314 12.5314 12.5343 12.5343 13.0320 13.0320 13.0587 13.0587 k = 0.5000 0.3812 0.0323 ( 2896 PWs) bands (ev): -3.7831 -3.7831 -3.7827 -3.7827 -1.4866 -1.4866 -1.4763 -1.4763 4.5971 4.5971 4.6105 4.6105 4.8722 4.8722 4.8832 4.8832 6.0843 6.0843 6.1227 6.1227 6.4449 6.4449 6.4905 6.4905 7.3791 7.3791 7.3856 7.3856 9.9385 9.9385 10.0156 10.0156 10.2417 10.2417 10.2772 10.2772 10.6837 10.6837 10.7069 10.7069 12.5316 12.5316 12.5341 12.5341 13.0291 13.0291 13.0555 13.0555 k = 0.5000 0.3812 0.0431 ( 2896 PWs) bands (ev): -3.7808 -3.7808 -3.7804 -3.7804 -1.4881 -1.4881 -1.4779 -1.4779 4.5459 4.5459 4.5578 4.5578 4.8725 4.8725 4.8830 4.8830 6.1016 6.1016 6.1388 6.1388 6.4954 6.4954 6.5400 6.5400 7.3861 7.3861 7.3924 7.3924 9.9435 9.9435 10.0204 10.0204 10.2357 10.2357 10.2707 10.2707 10.6835 10.6835 10.7068 10.7068 12.5320 12.5320 12.5340 12.5340 13.0250 13.0250 13.0511 13.0511 k = 0.5000 0.3812 0.0538 ( 2900 PWs) bands (ev): -3.7779 -3.7779 -3.7776 -3.7776 -1.4901 -1.4901 -1.4800 -1.4800 4.4914 4.4914 4.5020 4.5020 4.8631 4.8631 4.8725 4.8725 6.1296 6.1296 6.1649 6.1649 6.5523 6.5523 6.5959 6.5959 7.3952 7.3952 7.4014 7.4014 9.9498 9.9498 10.0266 10.0266 10.2281 10.2281 10.2624 10.2624 10.6833 10.6833 10.7066 10.7066 12.5326 12.5326 12.5340 12.5340 13.0197 13.0197 13.0453 13.0453 k = 0.5000 0.3812 0.0646 ( 2900 PWs) bands (ev): -3.7744 -3.7744 -3.7741 -3.7741 -1.4924 -1.4924 -1.4824 -1.4824 4.4353 4.4353 4.4449 4.4449 4.8439 4.8439 4.8518 4.8518 6.1683 6.1683 6.2015 6.2015 6.6133 6.6133 6.6559 6.6559 7.4070 7.4070 7.4128 7.4128 9.9577 9.9577 10.0342 10.0342 10.2188 10.2188 10.2522 10.2522 10.6830 10.6830 10.7065 10.7065 12.5337 12.5337 12.5343 12.5343 13.0133 13.0133 13.0383 13.0383 k = 0.5000 0.3812 0.0754 ( 2904 PWs) bands (ev): -3.7704 -3.7704 -3.7701 -3.7701 -1.4951 -1.4951 -1.4853 -1.4853 4.3790 4.3790 4.3877 4.3877 4.8158 4.8158 4.8221 4.8221 6.2170 6.2170 6.2477 6.2477 6.6764 6.6764 6.7178 6.7178 7.4215 7.4215 7.4269 7.4269 9.9669 9.9669 10.0431 10.0431 10.2079 10.2079 10.2402 10.2402 10.6826 10.6826 10.7063 10.7063 12.5350 12.5350 12.5354 12.5354 13.0056 13.0056 13.0300 13.0300 k = 0.5000 0.3812 0.0861 ( 2904 PWs) bands (ev): -3.7658 -3.7658 -3.7655 -3.7655 -1.4981 -1.4981 -1.4886 -1.4886 4.3232 4.3232 4.3311 4.3311 4.7803 4.7803 4.7850 4.7850 6.2741 6.2741 6.3024 6.3024 6.7399 6.7399 6.7800 6.7800 7.4392 7.4392 7.4440 7.4440 9.9775 9.9775 10.0533 10.0533 10.1955 10.1955 10.2266 10.2266 10.6823 10.6823 10.7060 10.7060 12.5364 12.5364 12.5377 12.5377 12.9969 12.9969 13.0205 13.0205 k = 0.5000 0.3812 0.0969 ( 2904 PWs) bands (ev): -3.7608 -3.7608 -3.7605 -3.7605 -1.5015 -1.5015 -1.4922 -1.4922 4.2686 4.2686 4.2758 4.2758 4.7390 4.7390 4.7421 4.7421 6.3378 6.3378 6.3637 6.3637 6.8027 6.8027 6.8412 6.8412 7.4606 7.4606 7.4645 7.4645 9.9894 9.9894 10.0644 10.0644 10.1819 10.1819 10.2114 10.2114 10.6819 10.6819 10.7057 10.7057 12.5387 12.5387 12.5411 12.5411 12.9871 12.9871 13.0097 13.0097 k = 0.5000 0.3812 0.1077 ( 2904 PWs) bands (ev): -3.7554 -3.7554 -3.7551 -3.7551 -1.5052 -1.5052 -1.4961 -1.4961 4.2158 4.2158 4.2223 4.2223 4.6932 4.6932 4.6950 4.6950 6.4065 6.4065 6.4302 6.4302 6.8634 6.8634 6.9000 6.9000 7.4861 7.4861 7.4888 7.4888 10.0022 10.0022 10.0757 10.0757 10.1678 10.1678 10.1950 10.1950 10.6815 10.6815 10.7054 10.7054 12.5420 12.5420 12.5456 12.5456 12.9762 12.9762 12.9978 12.9978 k = 0.5000 0.3812 0.1184 ( 2900 PWs) bands (ev): -3.7496 -3.7496 -3.7494 -3.7494 -1.5091 -1.5091 -1.5003 -1.5003 4.1651 4.1651 4.1710 4.1710 4.6444 4.6444 4.6450 4.6450 6.4786 6.4786 6.5002 6.5002 6.9210 6.9210 6.9554 6.9554 7.5163 7.5163 7.5174 7.5174 10.0155 10.0155 10.0851 10.0851 10.1553 10.1553 10.1779 10.1779 10.6811 10.6811 10.7051 10.7051 12.5467 12.5467 12.5514 12.5514 12.9644 12.9644 12.9849 12.9849 k = 0.5000 0.3812 0.1292 ( 2900 PWs) bands (ev): -3.7435 -3.7435 -3.7433 -3.7433 -1.5133 -1.5133 -1.5048 -1.5048 4.1168 4.1168 4.1223 4.1223 4.5932 4.5932 4.5937 4.5937 6.5527 6.5527 6.5723 6.5723 6.9747 6.9747 7.0064 7.0064 7.5508 7.5508 7.5516 7.5516 10.0277 10.0277 10.0872 10.0872 10.1497 10.1497 10.1614 10.1614 10.6806 10.6806 10.7047 10.7047 12.5530 12.5530 12.5589 12.5589 12.9518 12.9518 12.9709 12.9709 k = 0.5000 0.3812 0.1400 ( 2908 PWs) bands (ev): -3.7372 -3.7372 -3.7370 -3.7370 -1.5176 -1.5176 -1.5095 -1.5095 4.0712 4.0712 4.0763 4.0763 4.5406 4.5406 4.5419 4.5419 6.6273 6.6273 6.6453 6.6453 7.0237 7.0237 7.0525 7.0525 7.5891 7.5891 7.5922 7.5922 10.0362 10.0362 10.0769 10.0769 10.1483 10.1483 10.1560 10.1560 10.6801 10.6801 10.7042 10.7042 12.5610 12.5610 12.5680 12.5680 12.9386 12.9386 12.9562 12.9562 k = 0.5000 0.3812 0.1507 ( 2904 PWs) bands (ev): -3.7308 -3.7308 -3.7306 -3.7306 -1.5221 -1.5221 -1.5144 -1.5144 4.0286 4.0286 4.0334 4.0334 4.4880 4.4880 4.4900 4.4900 6.7015 6.7015 6.7179 6.7179 7.0678 7.0678 7.0934 7.0934 7.6324 7.6324 7.6379 7.6379 10.0362 10.0362 10.0575 10.0575 10.1432 10.1432 10.1708 10.1708 10.6796 10.6796 10.7037 10.7037 12.5711 12.5711 12.5792 12.5792 12.9249 12.9249 12.9409 12.9409 k = 0.5000 0.3812 0.1615 ( 2920 PWs) bands (ev): -3.7242 -3.7242 -3.7240 -3.7240 -1.5267 -1.5267 -1.5193 -1.5193 3.9891 3.9891 3.9936 3.9936 4.4360 4.4360 4.4385 4.4385 6.7740 6.7740 6.7889 6.7889 7.1070 7.1070 7.1292 7.1292 7.6805 7.6805 7.6883 7.6883 10.0245 10.0245 10.0332 10.0332 10.1492 10.1492 10.1896 10.1896 10.6789 10.6789 10.7030 10.7030 12.5834 12.5834 12.5924 12.5924 12.9112 12.9112 12.9253 12.9253 k = 0.5000 0.3812 0.1723 ( 2924 PWs) bands (ev): -3.7177 -3.7177 -3.7175 -3.7175 -1.5313 -1.5313 -1.5244 -1.5244 3.9528 3.9528 3.9570 3.9570 4.3850 4.3850 4.3880 4.3880 6.8439 6.8439 6.8576 6.8576 7.1415 7.1415 7.1605 7.1605 7.7328 7.7328 7.7428 7.7428 10.0032 10.0032 10.0058 10.0058 10.1641 10.1641 10.2108 10.2108 10.6784 10.6784 10.7023 10.7023 12.5981 12.5981 12.6076 12.6076 12.8978 12.8978 12.9097 12.9097 k = 0.5000 0.3812 0.1830 ( 2924 PWs) bands (ev): -3.7112 -3.7112 -3.7110 -3.7110 -1.5359 -1.5359 -1.5294 -1.5294 3.9198 3.9198 3.9238 3.9238 4.3356 4.3356 4.3389 4.3389 6.9103 6.9103 6.9229 6.9229 7.1719 7.1719 7.1878 7.1878 7.7887 7.7887 7.8004 7.8004 9.9759 9.9759 9.9762 9.9762 10.1842 10.1842 10.2332 10.2332 10.6779 10.6779 10.7015 10.7015 12.6151 12.6151 12.6248 12.6248 12.8854 12.8854 12.8947 12.8947 k = 0.5000 0.3812 0.1938 ( 2916 PWs) bands (ev): -3.7048 -3.7048 -3.7047 -3.7047 -1.5404 -1.5404 -1.5343 -1.5343 3.8902 3.8902 3.8940 3.8940 4.2882 4.2882 4.2917 4.2917 6.9724 6.9724 6.9840 6.9840 7.1988 7.1988 7.2118 7.2118 7.8473 7.8473 7.8604 7.8604 9.9445 9.9445 9.9454 9.9454 10.2070 10.2070 10.2563 10.2563 10.6773 10.6773 10.7006 10.7006 12.6343 12.6343 12.6435 12.6435 12.8748 12.8748 12.8808 12.8808 k = 0.5000 0.3812 0.2045 ( 2916 PWs) bands (ev): -3.6987 -3.6987 -3.6986 -3.6986 -1.5447 -1.5447 -1.5392 -1.5392 3.8640 3.8640 3.8675 3.8675 4.2431 4.2431 4.2467 4.2467 7.0293 7.0293 7.0402 7.0402 7.2227 7.2227 7.2331 7.2331 7.9076 7.9076 7.9216 7.9216 9.9113 9.9113 9.9122 9.9122 10.2312 10.2312 10.2795 10.2795 10.6769 10.6769 10.6996 10.6996 12.6550 12.6550 12.6627 12.6627 12.8673 12.8673 12.8693 12.8693 k = 0.5000 0.3812 0.2153 ( 2924 PWs) bands (ev): -3.6929 -3.6929 -3.6928 -3.6928 -1.5489 -1.5489 -1.5438 -1.5438 3.8412 3.8412 3.8445 3.8445 4.2007 4.2007 4.2043 4.2043 7.0804 7.0804 7.0907 7.0907 7.2444 7.2444 7.2523 7.2523 7.9686 7.9686 7.9831 7.9831 9.8771 9.8771 9.8776 9.8776 10.2559 10.2559 10.3023 10.3023 10.6764 10.6764 10.6984 10.6984 12.6758 12.6758 12.6807 12.6807 12.8617 12.8617 12.8648 12.8648 k = 0.5000 0.3812 0.2261 ( 2920 PWs) bands (ev): -3.6875 -3.6875 -3.6874 -3.6874 -1.5528 -1.5528 -1.5482 -1.5482 3.8216 3.8216 3.8248 3.8248 4.1612 4.1612 4.1648 4.1648 7.1253 7.1253 7.1350 7.1350 7.2645 7.2645 7.2701 7.2701 8.0293 8.0293 8.0437 8.0437 9.8421 9.8421 9.8425 9.8425 10.2804 10.2804 10.3242 10.3242 10.6761 10.6761 10.6972 10.6972 12.6944 12.6944 12.6953 12.6953 12.8606 12.8606 12.8700 12.8700 k = 0.5000 0.3812 0.2368 ( 2912 PWs) bands (ev): -3.6825 -3.6825 -3.6824 -3.6824 -1.5563 -1.5563 -1.5523 -1.5523 3.8053 3.8053 3.8083 3.8083 4.1251 4.1251 4.1286 4.1286 7.1633 7.1633 7.1725 7.1725 7.2833 7.2833 7.2870 7.2870 8.0884 8.0884 8.1023 8.1023 9.8069 9.8069 9.8078 9.8078 10.3042 10.3042 10.3447 10.3447 10.6759 10.6759 10.6958 10.6958 12.7047 12.7047 12.7079 12.7079 12.8693 12.8693 12.8847 12.8847 k = 0.5000 0.3812 0.2476 ( 2912 PWs) bands (ev): -3.6780 -3.6780 -3.6779 -3.6779 -1.5595 -1.5595 -1.5560 -1.5560 3.7921 3.7921 3.7948 3.7948 4.0926 4.0926 4.0959 4.0959 7.1944 7.1944 7.2029 7.2029 7.3012 7.3012 7.3034 7.3034 8.1446 8.1446 8.1577 8.1577 9.7726 9.7726 9.7740 9.7740 10.3267 10.3267 10.3631 10.3631 10.6759 10.6759 10.6942 10.6942 12.7086 12.7086 12.7144 12.7144 12.8893 12.8893 12.9088 12.9088 k = 0.5000 0.3812 0.2584 ( 2916 PWs) bands (ev): -3.6741 -3.6741 -3.6741 -3.6741 -1.5622 -1.5622 -1.5593 -1.5593 3.7817 3.7817 3.7841 3.7841 4.0642 4.0642 4.0672 4.0672 7.2188 7.2188 7.2263 7.2263 7.3180 7.3180 7.3191 7.3191 8.1964 8.1964 8.2082 8.2082 9.7405 9.7405 9.7422 9.7422 10.3472 10.3472 10.3790 10.3790 10.6762 10.6762 10.6924 10.6924 12.7085 12.7085 12.7151 12.7151 12.9190 12.9190 12.9403 12.9403 k = 0.5000 0.3812 0.2691 ( 2920 PWs) bands (ev): -3.6708 -3.6708 -3.6708 -3.6708 -1.5644 -1.5644 -1.5621 -1.5621 3.7739 3.7739 3.7759 3.7759 4.0402 4.0402 4.0427 4.0427 7.2372 7.2372 7.2435 7.2435 7.3332 7.3332 7.3337 7.3337 8.2424 8.2424 8.2524 8.2524 9.7116 9.7116 9.7134 9.7134 10.3655 10.3655 10.3920 10.3920 10.6767 10.6767 10.6905 10.6905 12.7063 12.7063 12.7125 12.7125 12.9550 12.9550 12.9760 12.9760 k = 0.5000 0.3812 0.2799 ( 2916 PWs) bands (ev): -3.6682 -3.6682 -3.6682 -3.6682 -1.5662 -1.5662 -1.5644 -1.5644 3.7684 3.7684 3.7701 3.7701 4.0210 4.0210 4.0231 4.0231 7.2505 7.2505 7.2553 7.2553 7.3460 7.3460 7.3462 7.3462 8.2808 8.2808 8.2887 8.2887 9.6873 9.6873 9.6890 9.6890 10.3812 10.3812 10.4017 10.4017 10.6777 10.6777 10.6885 10.6885 12.7037 12.7037 12.7086 12.7086 12.9932 12.9932 13.0122 13.0122 k = 0.5000 0.3812 0.2907 ( 2912 PWs) bands (ev): -3.6664 -3.6664 -3.6663 -3.6663 -1.5673 -1.5673 -1.5661 -1.5661 3.7649 3.7649 3.7661 3.7661 4.0071 4.0071 4.0085 4.0085 7.2597 7.2597 7.2629 7.2629 7.3557 7.3557 7.3558 7.3558 8.3101 8.3101 8.3156 8.3156 9.6689 9.6689 9.6702 9.6702 10.3937 10.3937 10.4077 10.4077 10.6789 10.6789 10.6864 10.6864 12.7015 12.7015 12.7049 12.7049 13.0293 13.0293 13.0442 13.0442 k = 0.5000 0.3812 0.3014 ( 2920 PWs) bands (ev): -3.6652 -3.6652 -3.6652 -3.6652 -1.5679 -1.5679 -1.5673 -1.5673 3.7631 3.7631 3.7637 3.7637 3.9987 3.9987 3.9994 3.9994 7.2652 7.2652 7.2669 7.2669 7.3616 7.3616 7.3617 7.3617 8.3289 8.3289 8.3317 8.3317 9.6574 9.6574 9.6582 9.6582 10.4027 10.4027 10.4098 10.4098 10.6805 10.6805 10.6844 10.6844 12.7003 12.7003 12.7021 12.7021 13.0572 13.0572 13.0657 13.0657 k = 0.5000 0.3812 0.3122 ( 2920 PWs) bands (ev): -3.6649 -3.6649 -3.6648 -3.6648 -1.5679 -1.5679 -1.5679 -1.5679 3.7627 3.7627 3.7627 3.7627 3.9961 3.9961 3.9962 3.9962 7.2675 7.2675 7.2677 7.2677 7.3637 7.3637 7.3638 7.3638 8.3362 8.3362 8.3363 8.3363 9.6537 9.6537 9.6540 9.6540 10.4080 10.4080 10.4084 10.4084 10.6821 10.6821 10.6826 10.6826 12.7005 12.7005 12.7006 12.7006 13.0706 13.0706 13.0709 13.0709 Writing output data file FeS2.save init_run : 3.07s CPU 13.78s WALL ( 1 calls) electrons : 671.17s CPU 678.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 671.13s CPU 678.08s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.87s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.13s CPU 0.60s WALL ( 1 calls) newd : 0.41s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.15s WALL ( 460 calls) cegterg : 630.14s CPU 634.75s WALL ( 884 calls) Called by sum_band: Called by *egterg: h_psi : 266.21s CPU 275.16s WALL ( 15505 calls) s_psi : 57.40s CPU 57.77s WALL ( 15505 calls) g_psi : 0.65s CPU 0.68s WALL ( 14161 calls) cdiaghg : 225.14s CPU 222.67s WALL ( 14621 calls) cegterg:over : 58.46s CPU 53.77s WALL ( 14161 calls) cegterg:upda : 8.71s CPU 12.60s WALL ( 14161 calls) cegterg:last : 8.61s CPU 9.62s WALL ( 2739 calls) Called by h_psi: h_psi:vloc : 163.06s CPU 170.26s WALL ( 15505 calls) h_psi:vnl : 102.94s CPU 104.11s WALL ( 15505 calls) add_vuspsi : 38.55s CPU 43.94s WALL ( 15505 calls) General routines calbec : 64.34s CPU 60.05s WALL ( 15505 calls) fft : 0.37s CPU 1.76s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 157.22s CPU 160.90s WALL ( 1607764 calls) interpolate : 0.13s CPU 0.14s WALL ( 4 calls) davcio : 0.03s CPU 1.18s WALL ( 920 calls) Parallel routines fft_scatter : 113.49s CPU 109.86s WALL ( 1607787 calls) PWSCF : 12m 6.61s CPU 13m34.85s WALL This run was terminated on: 16:31:35 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=